USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00196 USER MOD Single : A 28 ASN : amide:sc= -0.0587 X(o=-0.059,f=-0.068) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.18) USER MOD Single : A 42 TYR OH : rot 3:sc= 0.377 USER MOD Single : A 46 HIS : no HD1:sc= 0.00333 X(o=0.0033,f=-0.35) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0.368 (180deg=0.362) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 81 CYS SG : rot 117:sc= 0.302 USER MOD Single : A 86 MET CE :methyl 166:sc= -0.0572 (180deg=-0.371) USER MOD Single : A 87 THR OG1 : rot 84:sc= 0.803 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.786 -27.665 28.512 1.00 0.00 N ATOM 59 CA GLY A 5 -14.169 -26.873 27.358 1.00 0.00 C ATOM 60 C GLY A 5 -15.637 -27.026 27.045 1.00 0.00 C ATOM 61 O GLY A 5 -16.142 -26.472 26.067 1.00 0.00 O ATOM 0 HA2 GLY A 5 -13.943 -25.823 27.545 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.578 -27.177 26.494 1.00 0.00 H new ATOM 65 N SER A 6 -16.322 -27.782 27.879 1.00 0.00 N ATOM 66 CA SER A 6 -17.732 -28.027 27.718 1.00 0.00 C ATOM 67 C SER A 6 -18.438 -27.797 29.041 1.00 0.00 C ATOM 68 O SER A 6 -17.862 -28.031 30.103 1.00 0.00 O ATOM 69 CB SER A 6 -17.958 -29.463 27.247 1.00 0.00 C ATOM 70 OG SER A 6 -17.175 -29.745 26.097 1.00 0.00 O ATOM 0 H SER A 6 -15.910 -28.244 28.690 1.00 0.00 H new ATOM 0 HA SER A 6 -18.136 -27.344 26.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.701 -30.158 28.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.013 -29.614 27.020 1.00 0.00 H new ATOM 0 HG SER A 6 -17.333 -30.669 25.812 1.00 0.00 H new ATOM 76 N LEU A 7 -19.666 -27.338 28.982 1.00 0.00 N ATOM 77 CA LEU A 7 -20.420 -27.064 30.185 1.00 0.00 C ATOM 78 C LEU A 7 -21.647 -27.923 30.299 1.00 0.00 C ATOM 79 O LEU A 7 -22.334 -28.193 29.305 1.00 0.00 O ATOM 80 CB LEU A 7 -20.817 -25.591 30.265 1.00 0.00 C ATOM 81 CG LEU A 7 -19.691 -24.622 30.590 1.00 0.00 C ATOM 82 CD1 LEU A 7 -20.164 -23.186 30.428 1.00 0.00 C ATOM 83 CD2 LEU A 7 -19.198 -24.866 32.011 1.00 0.00 C ATOM 0 H LEU A 7 -20.165 -27.146 28.114 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.761 -27.305 31.020 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -21.258 -25.300 29.312 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.594 -25.484 31.022 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.867 -24.789 29.897 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.347 -22.505 30.664 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.486 -23.023 29.400 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.999 -22.999 31.104 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.391 -24.170 32.241 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.019 -24.714 32.712 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.831 -25.889 32.098 1.00 0.00 H new ATOM 95 N LYS A 8 -21.904 -28.367 31.513 1.00 0.00 N ATOM 96 CA LYS A 8 -23.103 -29.092 31.823 1.00 0.00 C ATOM 97 C LYS A 8 -24.193 -28.075 32.090 1.00 0.00 C ATOM 98 O LYS A 8 -24.210 -27.420 33.135 1.00 0.00 O ATOM 99 CB LYS A 8 -22.875 -29.977 33.042 1.00 0.00 C ATOM 100 CG LYS A 8 -24.074 -30.812 33.438 1.00 0.00 C ATOM 101 CD LYS A 8 -23.745 -31.686 34.627 1.00 0.00 C ATOM 102 CE LYS A 8 -24.929 -32.546 35.034 1.00 0.00 C ATOM 103 NZ LYS A 8 -24.592 -33.465 36.149 1.00 0.00 N ATOM 0 H LYS A 8 -21.281 -28.231 32.309 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.392 -29.740 30.996 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -22.034 -30.641 32.842 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.591 -29.348 33.885 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.914 -30.160 33.680 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.385 -31.433 32.598 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.896 -32.326 34.385 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.443 -31.060 35.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -25.758 -31.904 35.332 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.267 -33.126 34.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.428 -34.033 36.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.818 -34.096 35.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.294 -32.911 36.977 1.00 0.00 H new ATOM 117 N VAL A 9 -25.081 -27.940 31.146 1.00 0.00 N ATOM 118 CA VAL A 9 -26.092 -26.917 31.187 1.00 0.00 C ATOM 119 C VAL A 9 -27.461 -27.523 31.469 1.00 0.00 C ATOM 120 O VAL A 9 -27.872 -28.486 30.822 1.00 0.00 O ATOM 121 CB VAL A 9 -26.085 -26.163 29.835 1.00 0.00 C ATOM 122 CG1 VAL A 9 -27.106 -25.054 29.768 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.709 -25.610 29.572 1.00 0.00 C ATOM 0 H VAL A 9 -25.126 -28.539 30.321 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.876 -26.217 31.994 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.358 -26.886 29.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -27.049 -24.566 28.795 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -28.104 -25.469 29.908 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.903 -24.325 30.552 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.706 -25.080 28.620 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.434 -24.922 30.372 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.989 -26.428 29.534 1.00 0.00 H new ATOM 133 N TYR A 10 -28.148 -26.967 32.448 1.00 0.00 N ATOM 134 CA TYR A 10 -29.450 -27.463 32.850 1.00 0.00 C ATOM 135 C TYR A 10 -30.548 -26.472 32.460 1.00 0.00 C ATOM 136 O TYR A 10 -30.545 -25.314 32.888 1.00 0.00 O ATOM 137 CB TYR A 10 -29.440 -27.769 34.365 1.00 0.00 C ATOM 138 CG TYR A 10 -30.761 -28.229 34.961 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.204 -29.533 34.803 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.536 -27.367 35.716 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.382 -29.965 35.376 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.725 -27.785 36.291 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.141 -29.090 36.118 1.00 0.00 C ATOM 144 OH TYR A 10 -34.308 -29.529 36.701 1.00 0.00 O ATOM 0 H TYR A 10 -27.822 -26.163 32.985 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.669 -28.392 32.324 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.691 -28.538 34.555 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -29.118 -26.872 34.894 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.615 -30.225 34.219 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -31.208 -26.348 35.860 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -32.707 -30.986 35.243 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.322 -27.096 36.870 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.726 -28.791 37.191 1.00 0.00 H new ATOM 154 N GLY A 11 -31.466 -26.937 31.627 1.00 0.00 N ATOM 155 CA GLY A 11 -32.542 -26.100 31.127 1.00 0.00 C ATOM 156 C GLY A 11 -33.887 -26.796 31.188 1.00 0.00 C ATOM 157 O GLY A 11 -34.770 -26.534 30.364 1.00 0.00 O ATOM 0 H GLY A 11 -31.486 -27.897 31.282 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.585 -25.180 31.710 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.329 -25.815 30.097 1.00 0.00 H new ATOM 161 N GLY A 12 -34.042 -27.682 32.169 1.00 0.00 N ATOM 162 CA GLY A 12 -35.269 -28.463 32.315 1.00 0.00 C ATOM 163 C GLY A 12 -36.516 -27.611 32.475 1.00 0.00 C ATOM 164 O GLY A 12 -37.603 -28.013 32.068 1.00 0.00 O ATOM 0 H GLY A 12 -33.333 -27.878 32.876 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.387 -29.105 31.442 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -35.172 -29.117 33.181 1.00 0.00 H new ATOM 168 N GLU A 13 -36.362 -26.436 33.068 1.00 0.00 N ATOM 169 CA GLU A 13 -37.480 -25.515 33.256 1.00 0.00 C ATOM 170 C GLU A 13 -38.018 -25.026 31.912 1.00 0.00 C ATOM 171 O GLU A 13 -39.196 -24.670 31.788 1.00 0.00 O ATOM 172 CB GLU A 13 -37.053 -24.335 34.130 1.00 0.00 C ATOM 173 CG GLU A 13 -36.740 -24.736 35.560 1.00 0.00 C ATOM 174 CD GLU A 13 -37.956 -25.293 36.276 1.00 0.00 C ATOM 175 OE1 GLU A 13 -38.923 -24.537 36.494 1.00 0.00 O ATOM 176 OE2 GLU A 13 -37.963 -26.492 36.602 1.00 0.00 O ATOM 0 H GLU A 13 -35.471 -26.095 33.429 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.283 -26.050 33.763 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -36.174 -23.864 33.690 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -37.846 -23.588 34.134 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -35.946 -25.483 35.561 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -36.364 -23.870 36.105 1.00 0.00 H new ATOM 183 N ILE A 14 -37.156 -25.017 30.912 1.00 0.00 N ATOM 184 CA ILE A 14 -37.541 -24.595 29.581 1.00 0.00 C ATOM 185 C ILE A 14 -38.027 -25.793 28.775 1.00 0.00 C ATOM 186 O ILE A 14 -39.113 -25.768 28.190 1.00 0.00 O ATOM 187 CB ILE A 14 -36.359 -23.945 28.841 1.00 0.00 C ATOM 188 CG1 ILE A 14 -35.796 -22.790 29.663 1.00 0.00 C ATOM 189 CG2 ILE A 14 -36.800 -23.447 27.466 1.00 0.00 C ATOM 190 CD1 ILE A 14 -34.517 -22.225 29.104 1.00 0.00 C ATOM 0 H ILE A 14 -36.180 -25.299 30.999 1.00 0.00 H new ATOM 0 HA ILE A 14 -38.341 -23.862 29.683 1.00 0.00 H new ATOM 0 HB ILE A 14 -35.579 -24.694 28.705 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -36.541 -21.996 29.719 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -35.618 -23.132 30.682 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -35.952 -22.990 26.956 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -37.169 -24.286 26.876 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -37.594 -22.709 27.584 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.173 -21.408 29.738 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -33.757 -23.006 29.074 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -34.694 -21.852 28.095 1.00 0.00 H new ATOM 202 N VAL A 15 -37.221 -26.846 28.763 1.00 0.00 N ATOM 203 CA VAL A 15 -37.545 -28.064 28.037 1.00 0.00 C ATOM 204 C VAL A 15 -37.333 -29.281 28.943 1.00 0.00 C ATOM 205 O VAL A 15 -36.212 -29.760 29.100 1.00 0.00 O ATOM 206 CB VAL A 15 -36.677 -28.210 26.756 1.00 0.00 C ATOM 207 CG1 VAL A 15 -37.035 -29.475 26.000 1.00 0.00 C ATOM 208 CG2 VAL A 15 -36.834 -26.995 25.855 1.00 0.00 C ATOM 0 H VAL A 15 -36.328 -26.879 29.255 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.590 -28.006 27.734 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.634 -28.278 27.066 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.414 -29.554 25.108 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -36.864 -30.341 26.639 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -38.085 -29.440 25.709 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.217 -27.120 24.965 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -37.879 -26.893 25.561 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.519 -26.100 26.392 1.00 0.00 H new ATOM 218 N PRO A 16 -38.417 -29.773 29.569 1.00 0.00 N ATOM 219 CA PRO A 16 -38.363 -30.908 30.510 1.00 0.00 C ATOM 220 C PRO A 16 -37.757 -32.179 29.906 1.00 0.00 C ATOM 221 O PRO A 16 -37.068 -32.931 30.597 1.00 0.00 O ATOM 222 CB PRO A 16 -39.832 -31.141 30.877 1.00 0.00 C ATOM 223 CG PRO A 16 -40.501 -29.841 30.605 1.00 0.00 C ATOM 224 CD PRO A 16 -39.788 -29.253 29.423 1.00 0.00 C ATOM 0 HA PRO A 16 -37.720 -30.680 31.360 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.267 -31.942 30.280 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -39.938 -31.429 31.923 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -41.560 -29.984 30.391 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -40.436 -29.180 31.469 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -40.240 -29.567 28.482 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -39.810 -28.163 29.440 1.00 0.00 H new ATOM 232 N THR A 17 -38.007 -32.414 28.619 1.00 0.00 N ATOM 233 CA THR A 17 -37.506 -33.615 27.955 1.00 0.00 C ATOM 234 C THR A 17 -35.983 -33.564 27.741 1.00 0.00 C ATOM 235 O THR A 17 -35.349 -34.591 27.486 1.00 0.00 O ATOM 236 CB THR A 17 -38.233 -33.885 26.610 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.721 -35.074 25.997 1.00 0.00 O ATOM 238 CG2 THR A 17 -38.080 -32.717 25.652 1.00 0.00 C ATOM 0 H THR A 17 -38.550 -31.793 28.019 1.00 0.00 H new ATOM 0 HA THR A 17 -37.724 -34.446 28.627 1.00 0.00 H new ATOM 0 HB THR A 17 -39.293 -34.014 26.830 1.00 0.00 H new ATOM 0 HG1 THR A 17 -38.189 -35.233 25.151 1.00 0.00 H new ATOM 0 HG21 THR A 17 -38.601 -32.940 24.721 1.00 0.00 H new ATOM 0 HG22 THR A 17 -38.507 -31.820 26.101 1.00 0.00 H new ATOM 0 HG23 THR A 17 -37.023 -32.552 25.446 1.00 0.00 H new ATOM 246 N ARG A 18 -35.404 -32.380 27.852 1.00 0.00 N ATOM 247 CA ARG A 18 -33.961 -32.224 27.725 1.00 0.00 C ATOM 248 C ARG A 18 -33.445 -31.335 28.855 1.00 0.00 C ATOM 249 O ARG A 18 -33.047 -30.189 28.631 1.00 0.00 O ATOM 250 CB ARG A 18 -33.588 -31.638 26.352 1.00 0.00 C ATOM 251 CG ARG A 18 -32.085 -31.576 26.087 1.00 0.00 C ATOM 252 CD ARG A 18 -31.782 -31.034 24.697 1.00 0.00 C ATOM 253 NE ARG A 18 -32.361 -31.870 23.641 1.00 0.00 N ATOM 254 CZ ARG A 18 -32.533 -31.481 22.372 1.00 0.00 C ATOM 255 NH1 ARG A 18 -32.149 -30.268 21.986 1.00 0.00 N ATOM 256 NH2 ARG A 18 -33.081 -32.310 21.489 1.00 0.00 N ATOM 0 H ARG A 18 -35.909 -31.512 28.030 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.491 -33.205 27.800 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -34.059 -32.238 25.573 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -34.002 -30.633 26.274 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.609 -30.944 26.836 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.655 -32.572 26.191 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -32.172 -30.020 24.611 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -30.702 -30.973 24.560 1.00 0.00 H new ATOM 0 HE ARG A 18 -32.653 -32.815 23.891 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -31.722 -29.630 22.658 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -32.282 -29.975 21.018 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -33.371 -33.244 21.778 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -33.211 -32.012 20.522 1.00 0.00 H new ATOM 270 N PRO A 19 -33.473 -31.853 30.102 1.00 0.00 N ATOM 271 CA PRO A 19 -33.076 -31.086 31.281 1.00 0.00 C ATOM 272 C PRO A 19 -31.595 -30.755 31.294 1.00 0.00 C ATOM 273 O PRO A 19 -31.194 -29.702 31.774 1.00 0.00 O ATOM 274 CB PRO A 19 -33.426 -32.013 32.448 1.00 0.00 C ATOM 275 CG PRO A 19 -33.399 -33.381 31.864 1.00 0.00 C ATOM 276 CD PRO A 19 -33.876 -33.232 30.452 1.00 0.00 C ATOM 0 HA PRO A 19 -33.580 -30.120 31.319 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.707 -31.915 33.261 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -34.407 -31.778 32.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.393 -33.799 31.895 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -34.043 -34.058 32.425 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.414 -33.966 29.792 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.955 -33.368 30.375 1.00 0.00 H new ATOM 284 N TYR A 20 -30.789 -31.645 30.756 1.00 0.00 N ATOM 285 CA TYR A 20 -29.359 -31.446 30.726 1.00 0.00 C ATOM 286 C TYR A 20 -28.845 -31.479 29.309 1.00 0.00 C ATOM 287 O TYR A 20 -29.195 -32.365 28.530 1.00 0.00 O ATOM 288 CB TYR A 20 -28.640 -32.505 31.568 1.00 0.00 C ATOM 289 CG TYR A 20 -28.934 -32.419 33.049 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.245 -31.527 33.860 1.00 0.00 C ATOM 291 CD2 TYR A 20 -29.898 -33.229 33.636 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.507 -31.442 35.214 1.00 0.00 C ATOM 293 CE2 TYR A 20 -30.168 -33.152 34.989 1.00 0.00 C ATOM 294 CZ TYR A 20 -29.471 -32.258 35.774 1.00 0.00 C ATOM 295 OH TYR A 20 -29.736 -32.182 37.122 1.00 0.00 O ATOM 0 H TYR A 20 -31.104 -32.518 30.332 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.151 -30.465 31.152 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.924 -33.494 31.209 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.565 -32.407 31.415 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.491 -30.888 33.425 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -30.446 -33.931 33.024 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.962 -30.742 35.830 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -30.921 -33.789 35.429 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.441 -32.822 37.353 1.00 0.00 H new ATOM 305 N VAL A 21 -28.032 -30.511 28.979 1.00 0.00 N ATOM 306 CA VAL A 21 -27.430 -30.426 27.676 1.00 0.00 C ATOM 307 C VAL A 21 -25.966 -30.053 27.823 1.00 0.00 C ATOM 308 O VAL A 21 -25.554 -29.493 28.842 1.00 0.00 O ATOM 309 CB VAL A 21 -28.166 -29.408 26.761 1.00 0.00 C ATOM 310 CG1 VAL A 21 -28.036 -27.984 27.279 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.701 -29.509 25.313 1.00 0.00 C ATOM 0 H VAL A 21 -27.768 -29.755 29.611 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.514 -31.401 27.196 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.223 -29.671 26.786 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.564 -27.304 26.611 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.468 -27.919 28.278 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.983 -27.707 27.320 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.240 -28.781 24.706 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.631 -29.306 25.259 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.899 -30.513 24.936 1.00 0.00 H new ATOM 321 N SER A 22 -25.197 -30.380 26.840 1.00 0.00 N ATOM 322 CA SER A 22 -23.779 -30.107 26.860 1.00 0.00 C ATOM 323 C SER A 22 -23.427 -29.072 25.808 1.00 0.00 C ATOM 324 O SER A 22 -23.743 -29.244 24.626 1.00 0.00 O ATOM 325 CB SER A 22 -22.998 -31.401 26.639 1.00 0.00 C ATOM 326 OG SER A 22 -23.608 -32.199 25.630 1.00 0.00 O ATOM 0 H SER A 22 -25.524 -30.845 25.993 1.00 0.00 H new ATOM 0 HA SER A 22 -23.506 -29.702 27.835 1.00 0.00 H new ATOM 0 HB2 SER A 22 -21.973 -31.167 26.352 1.00 0.00 H new ATOM 0 HB3 SER A 22 -22.948 -31.963 27.571 1.00 0.00 H new ATOM 0 HG SER A 22 -23.089 -33.021 25.505 1.00 0.00 H new ATOM 332 N ILE A 23 -22.782 -27.998 26.227 1.00 0.00 N ATOM 333 CA ILE A 23 -22.428 -26.936 25.305 1.00 0.00 C ATOM 334 C ILE A 23 -20.930 -26.683 25.332 1.00 0.00 C ATOM 335 O ILE A 23 -20.253 -27.047 26.291 1.00 0.00 O ATOM 336 CB ILE A 23 -23.151 -25.611 25.647 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.641 -25.050 26.973 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.653 -25.836 25.707 1.00 0.00 C ATOM 339 CD1 ILE A 23 -23.125 -23.647 27.260 1.00 0.00 C ATOM 0 H ILE A 23 -22.495 -27.839 27.193 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.739 -27.265 24.314 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.937 -24.884 24.863 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.958 -25.708 27.782 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.551 -25.055 26.966 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -25.152 -24.898 25.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -25.006 -26.197 24.741 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.880 -26.575 26.475 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.724 -23.313 28.217 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.786 -22.976 26.470 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -24.214 -23.639 27.300 1.00 0.00 H new ATOM 351 N LEU A 24 -20.422 -26.076 24.281 1.00 0.00 N ATOM 352 CA LEU A 24 -19.022 -25.715 24.204 1.00 0.00 C ATOM 353 C LEU A 24 -18.869 -24.264 24.612 1.00 0.00 C ATOM 354 O LEU A 24 -19.645 -23.419 24.173 1.00 0.00 O ATOM 355 CB LEU A 24 -18.478 -25.916 22.778 1.00 0.00 C ATOM 356 CG LEU A 24 -18.397 -27.364 22.256 1.00 0.00 C ATOM 357 CD1 LEU A 24 -17.673 -28.258 23.244 1.00 0.00 C ATOM 358 CD2 LEU A 24 -19.777 -27.920 21.928 1.00 0.00 C ATOM 0 H LEU A 24 -20.966 -25.819 23.457 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.452 -26.357 24.875 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -19.104 -25.344 22.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -17.478 -25.484 22.733 1.00 0.00 H new ATOM 0 HG LEU A 24 -17.822 -27.346 21.330 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -17.630 -29.274 22.851 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.660 -27.885 23.398 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -18.208 -28.259 24.194 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -19.680 -28.942 21.563 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.395 -27.912 22.826 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.245 -27.304 21.160 1.00 0.00 H new ATOM 370 N ALA A 25 -17.897 -23.979 25.463 1.00 0.00 N ATOM 371 CA ALA A 25 -17.676 -22.619 25.941 1.00 0.00 C ATOM 372 C ALA A 25 -16.291 -22.465 26.541 1.00 0.00 C ATOM 373 O ALA A 25 -15.831 -23.324 27.302 1.00 0.00 O ATOM 374 CB ALA A 25 -18.726 -22.259 26.986 1.00 0.00 C ATOM 0 H ALA A 25 -17.247 -24.670 25.839 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.758 -21.945 25.088 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.555 -21.242 27.339 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.719 -22.327 26.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.656 -22.951 27.826 1.00 0.00 H new ATOM 380 N GLU A 26 -15.621 -21.389 26.176 1.00 0.00 N ATOM 381 CA GLU A 26 -14.347 -21.047 26.759 1.00 0.00 C ATOM 382 C GLU A 26 -14.572 -20.120 27.933 1.00 0.00 C ATOM 383 O GLU A 26 -15.614 -19.501 28.042 1.00 0.00 O ATOM 384 CB GLU A 26 -13.423 -20.381 25.741 1.00 0.00 C ATOM 385 CG GLU A 26 -12.866 -21.320 24.689 1.00 0.00 C ATOM 386 CD GLU A 26 -13.880 -21.735 23.650 1.00 0.00 C ATOM 387 OE1 GLU A 26 -14.347 -20.855 22.894 1.00 0.00 O ATOM 388 OE2 GLU A 26 -14.190 -22.942 23.563 1.00 0.00 O ATOM 0 H GLU A 26 -15.947 -20.731 25.468 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.864 -21.965 27.092 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.969 -19.580 25.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.592 -19.917 26.272 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.025 -20.837 24.191 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.476 -22.212 25.180 1.00 0.00 H new ATOM 395 N ILE A 27 -13.599 -20.010 28.800 1.00 0.00 N ATOM 396 CA ILE A 27 -13.747 -19.176 29.978 1.00 0.00 C ATOM 397 C ILE A 27 -13.846 -17.682 29.637 1.00 0.00 C ATOM 398 O ILE A 27 -14.449 -16.908 30.379 1.00 0.00 O ATOM 399 CB ILE A 27 -12.615 -19.408 31.008 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.920 -18.631 32.282 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.266 -18.988 30.434 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.104 -19.045 33.463 1.00 0.00 C ATOM 0 H ILE A 27 -12.698 -20.482 28.719 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.691 -19.481 30.430 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.562 -20.471 31.241 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.755 -17.570 32.095 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.976 -18.752 32.524 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.486 -19.160 31.175 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.053 -19.574 29.540 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.294 -17.929 30.176 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.384 -18.443 34.327 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.286 -20.098 33.680 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.046 -18.897 33.244 1.00 0.00 H new ATOM 414 N ASN A 28 -13.287 -17.289 28.506 1.00 0.00 N ATOM 415 CA ASN A 28 -13.233 -15.877 28.151 1.00 0.00 C ATOM 416 C ASN A 28 -14.477 -15.403 27.396 1.00 0.00 C ATOM 417 O ASN A 28 -14.540 -14.244 26.975 1.00 0.00 O ATOM 418 CB ASN A 28 -11.971 -15.571 27.332 1.00 0.00 C ATOM 419 CG ASN A 28 -10.690 -15.825 28.107 1.00 0.00 C ATOM 420 OD1 ASN A 28 -10.119 -16.916 28.046 1.00 0.00 O ATOM 421 ND2 ASN A 28 -10.226 -14.827 28.832 1.00 0.00 N ATOM 0 H ASN A 28 -12.867 -17.918 27.822 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.200 -15.325 29.090 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.972 -16.183 26.430 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.995 -14.530 27.011 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.366 -14.943 29.368 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.727 -13.939 28.857 1.00 0.00 H new ATOM 428 N GLU A 29 -15.475 -16.266 27.242 1.00 0.00 N ATOM 429 CA GLU A 29 -16.676 -15.873 26.538 1.00 0.00 C ATOM 430 C GLU A 29 -17.762 -15.454 27.516 1.00 0.00 C ATOM 431 O GLU A 29 -17.870 -16.001 28.618 1.00 0.00 O ATOM 432 CB GLU A 29 -17.159 -16.981 25.595 1.00 0.00 C ATOM 433 CG GLU A 29 -17.578 -18.263 26.256 1.00 0.00 C ATOM 434 CD GLU A 29 -17.971 -19.302 25.238 1.00 0.00 C ATOM 435 OE1 GLU A 29 -17.082 -19.768 24.490 1.00 0.00 O ATOM 436 OE2 GLU A 29 -19.159 -19.653 25.165 1.00 0.00 O ATOM 0 H GLU A 29 -15.472 -17.225 27.591 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.437 -15.008 25.919 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.001 -16.600 25.017 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -16.361 -17.203 24.886 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.760 -18.643 26.869 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.416 -18.072 26.926 1.00 0.00 H new ATOM 443 N ASN A 30 -18.544 -14.463 27.126 1.00 0.00 N ATOM 444 CA ASN A 30 -19.598 -13.948 27.986 1.00 0.00 C ATOM 445 C ASN A 30 -20.794 -14.873 27.989 1.00 0.00 C ATOM 446 O ASN A 30 -20.889 -15.800 27.174 1.00 0.00 O ATOM 447 CB ASN A 30 -20.054 -12.552 27.551 1.00 0.00 C ATOM 448 CG ASN A 30 -18.949 -11.523 27.551 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.610 -10.953 28.588 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.408 -11.243 26.382 1.00 0.00 N ATOM 0 H ASN A 30 -18.470 -13.998 26.221 1.00 0.00 H new ATOM 0 HA ASN A 30 -19.179 -13.885 28.990 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.480 -12.615 26.549 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -20.850 -12.217 28.215 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -17.681 -10.531 26.314 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.717 -11.738 25.545 1.00 0.00 H new ATOM 457 N ALA A 31 -21.718 -14.600 28.888 1.00 0.00 N ATOM 458 CA ALA A 31 -22.923 -15.377 29.025 1.00 0.00 C ATOM 459 C ALA A 31 -23.750 -15.360 27.748 1.00 0.00 C ATOM 460 O ALA A 31 -24.513 -16.255 27.518 1.00 0.00 O ATOM 461 CB ALA A 31 -23.746 -14.876 30.200 1.00 0.00 C ATOM 0 H ALA A 31 -21.649 -13.825 29.547 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.631 -16.410 29.214 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.653 -15.474 30.290 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -23.162 -14.963 31.116 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -24.014 -13.832 30.038 1.00 0.00 H new ATOM 467 N ASP A 32 -23.598 -14.329 26.925 1.00 0.00 N ATOM 468 CA ASP A 32 -24.337 -14.254 25.658 1.00 0.00 C ATOM 469 C ASP A 32 -24.015 -15.438 24.768 1.00 0.00 C ATOM 470 O ASP A 32 -24.912 -16.068 24.201 1.00 0.00 O ATOM 471 CB ASP A 32 -24.025 -12.962 24.908 1.00 0.00 C ATOM 472 CG ASP A 32 -24.713 -12.910 23.558 1.00 0.00 C ATOM 473 OD1 ASP A 32 -25.956 -12.942 23.516 1.00 0.00 O ATOM 474 OD2 ASP A 32 -24.007 -12.833 22.531 1.00 0.00 O ATOM 0 H ASP A 32 -22.978 -13.539 27.104 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.398 -14.271 25.907 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.340 -12.109 25.509 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -22.947 -12.874 24.770 1.00 0.00 H new ATOM 479 N ARG A 33 -22.740 -15.735 24.645 1.00 0.00 N ATOM 480 CA ARG A 33 -22.290 -16.828 23.845 1.00 0.00 C ATOM 481 C ARG A 33 -22.667 -18.159 24.490 1.00 0.00 C ATOM 482 O ARG A 33 -23.152 -19.062 23.821 1.00 0.00 O ATOM 483 CB ARG A 33 -20.785 -16.719 23.642 1.00 0.00 C ATOM 484 CG ARG A 33 -20.172 -17.893 22.933 1.00 0.00 C ATOM 485 CD ARG A 33 -20.638 -18.029 21.491 1.00 0.00 C ATOM 486 NE ARG A 33 -20.057 -19.218 20.865 1.00 0.00 N ATOM 487 CZ ARG A 33 -20.119 -19.512 19.566 1.00 0.00 C ATOM 488 NH1 ARG A 33 -20.755 -18.707 18.718 1.00 0.00 N ATOM 489 NH2 ARG A 33 -19.549 -20.622 19.118 1.00 0.00 N ATOM 0 H ARG A 33 -21.991 -15.216 25.104 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.778 -16.788 22.871 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.571 -15.814 23.074 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.306 -16.606 24.614 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.087 -17.794 22.950 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.417 -18.806 23.476 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -21.726 -18.092 21.460 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -20.354 -17.140 20.927 1.00 0.00 H new ATOM 0 HE ARG A 33 -19.565 -19.874 21.471 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -21.201 -17.856 19.060 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -20.796 -18.941 17.726 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.067 -21.245 19.766 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -19.593 -20.853 18.125 1.00 0.00 H new ATOM 503 N ILE A 34 -22.467 -18.252 25.800 1.00 0.00 N ATOM 504 CA ILE A 34 -22.778 -19.470 26.544 1.00 0.00 C ATOM 505 C ILE A 34 -24.286 -19.760 26.495 1.00 0.00 C ATOM 506 O ILE A 34 -24.715 -20.888 26.223 1.00 0.00 O ATOM 507 CB ILE A 34 -22.332 -19.324 28.022 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.810 -19.201 28.102 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.809 -20.507 28.854 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.298 -18.846 29.483 1.00 0.00 C ATOM 0 H ILE A 34 -22.090 -17.496 26.372 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.239 -20.298 26.083 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.784 -18.419 28.428 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.362 -20.144 27.790 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.478 -18.441 27.395 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.483 -20.381 29.886 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -23.897 -20.560 28.821 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.388 -21.428 28.451 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.210 -18.776 29.461 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.717 -17.888 29.791 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.598 -19.618 30.192 1.00 0.00 H new ATOM 522 N LEU A 35 -25.074 -18.724 26.733 1.00 0.00 N ATOM 523 CA LEU A 35 -26.525 -18.813 26.695 1.00 0.00 C ATOM 524 C LEU A 35 -26.979 -19.124 25.292 1.00 0.00 C ATOM 525 O LEU A 35 -27.838 -19.963 25.083 1.00 0.00 O ATOM 526 CB LEU A 35 -27.147 -17.491 27.177 1.00 0.00 C ATOM 527 CG LEU A 35 -28.672 -17.372 27.112 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.342 -18.433 27.971 1.00 0.00 C ATOM 529 CD2 LEU A 35 -29.103 -15.985 27.555 1.00 0.00 C ATOM 0 H LEU A 35 -24.724 -17.793 26.959 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.853 -19.614 27.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.839 -17.329 28.210 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.719 -16.681 26.586 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.984 -17.530 26.080 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.425 -18.324 27.905 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.055 -19.423 27.616 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -29.028 -18.314 29.008 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.189 -15.908 27.506 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.773 -15.811 28.579 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.657 -15.238 26.898 1.00 0.00 H new ATOM 541 N GLY A 36 -26.366 -18.452 24.332 1.00 0.00 N ATOM 542 CA GLY A 36 -26.703 -18.657 22.952 1.00 0.00 C ATOM 543 C GLY A 36 -26.393 -20.054 22.493 1.00 0.00 C ATOM 544 O GLY A 36 -27.132 -20.613 21.709 1.00 0.00 O ATOM 0 H GLY A 36 -25.633 -17.761 24.493 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.764 -18.455 22.805 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.155 -17.944 22.336 1.00 0.00 H new ATOM 548 N ALA A 37 -25.296 -20.616 22.981 1.00 0.00 N ATOM 549 CA ALA A 37 -24.919 -21.978 22.639 1.00 0.00 C ATOM 550 C ALA A 37 -25.966 -22.967 23.129 1.00 0.00 C ATOM 551 O ALA A 37 -26.457 -23.794 22.367 1.00 0.00 O ATOM 552 CB ALA A 37 -23.565 -22.319 23.242 1.00 0.00 C ATOM 0 H ALA A 37 -24.651 -20.147 23.617 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.854 -22.049 21.553 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.296 -23.342 22.978 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.811 -21.634 22.854 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.616 -22.226 24.327 1.00 0.00 H new ATOM 558 N ALA A 38 -26.318 -22.859 24.403 1.00 0.00 N ATOM 559 CA ALA A 38 -27.302 -23.751 25.008 1.00 0.00 C ATOM 560 C ALA A 38 -28.675 -23.544 24.400 1.00 0.00 C ATOM 561 O ALA A 38 -29.375 -24.499 24.071 1.00 0.00 O ATOM 562 CB ALA A 38 -27.357 -23.521 26.504 1.00 0.00 C ATOM 0 H ALA A 38 -25.936 -22.160 25.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.996 -24.779 24.811 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -28.094 -24.190 26.948 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.377 -23.720 26.939 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.640 -22.487 26.703 1.00 0.00 H new ATOM 568 N LEU A 39 -29.032 -22.295 24.229 1.00 0.00 N ATOM 569 CA LEU A 39 -30.313 -21.912 23.684 1.00 0.00 C ATOM 570 C LEU A 39 -30.427 -22.386 22.232 1.00 0.00 C ATOM 571 O LEU A 39 -31.504 -22.769 21.772 1.00 0.00 O ATOM 572 CB LEU A 39 -30.466 -20.401 23.794 1.00 0.00 C ATOM 573 CG LEU A 39 -31.831 -19.834 23.483 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.867 -20.411 24.432 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.797 -18.336 23.618 1.00 0.00 C ATOM 0 H LEU A 39 -28.433 -21.504 24.467 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.118 -22.384 24.247 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -30.197 -20.104 24.808 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.743 -19.936 23.124 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.102 -20.101 22.461 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.847 -19.995 24.198 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.898 -21.495 24.322 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.601 -20.158 25.458 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.782 -17.928 23.393 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.517 -18.069 24.637 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -31.067 -17.924 22.922 1.00 0.00 H new ATOM 587 N GLU A 40 -29.301 -22.346 21.522 1.00 0.00 N ATOM 588 CA GLU A 40 -29.220 -22.823 20.146 1.00 0.00 C ATOM 589 C GLU A 40 -29.510 -24.319 20.101 1.00 0.00 C ATOM 590 O GLU A 40 -30.149 -24.806 19.170 1.00 0.00 O ATOM 591 CB GLU A 40 -27.821 -22.508 19.567 1.00 0.00 C ATOM 592 CG GLU A 40 -27.602 -22.900 18.106 1.00 0.00 C ATOM 593 CD GLU A 40 -27.214 -24.355 17.930 1.00 0.00 C ATOM 594 OE1 GLU A 40 -26.184 -24.774 18.498 1.00 0.00 O ATOM 595 OE2 GLU A 40 -27.925 -25.085 17.208 1.00 0.00 O ATOM 0 H GLU A 40 -28.420 -21.982 21.886 1.00 0.00 H new ATOM 0 HA GLU A 40 -29.965 -22.313 19.536 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.640 -21.438 19.667 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.074 -23.017 20.176 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -28.514 -22.703 17.543 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -26.822 -22.269 17.680 1.00 0.00 H new ATOM 602 N LYS A 41 -29.058 -25.042 21.128 1.00 0.00 N ATOM 603 CA LYS A 41 -29.295 -26.480 21.210 1.00 0.00 C ATOM 604 C LYS A 41 -30.790 -26.753 21.291 1.00 0.00 C ATOM 605 O LYS A 41 -31.282 -27.732 20.744 1.00 0.00 O ATOM 606 CB LYS A 41 -28.572 -27.115 22.415 1.00 0.00 C ATOM 607 CG LYS A 41 -27.089 -26.779 22.497 1.00 0.00 C ATOM 608 CD LYS A 41 -26.414 -26.920 21.148 1.00 0.00 C ATOM 609 CE LYS A 41 -24.964 -26.467 21.195 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.376 -26.391 19.838 1.00 0.00 N ATOM 0 H LYS A 41 -28.529 -24.655 21.909 1.00 0.00 H new ATOM 0 HA LYS A 41 -28.888 -26.937 20.308 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.060 -26.786 23.333 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -28.686 -28.198 22.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -26.965 -25.760 22.863 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.605 -27.437 23.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -26.460 -27.960 20.825 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -26.955 -26.332 20.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.902 -25.490 21.675 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.385 -27.160 21.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.537 -25.777 19.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -24.101 -27.344 19.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -25.077 -25.998 19.177 1.00 0.00 H new ATOM 624 N TYR A 42 -31.509 -25.881 21.987 1.00 0.00 N ATOM 625 CA TYR A 42 -32.955 -26.005 22.085 1.00 0.00 C ATOM 626 C TYR A 42 -33.635 -25.364 20.867 1.00 0.00 C ATOM 627 O TYR A 42 -34.840 -25.491 20.680 1.00 0.00 O ATOM 628 CB TYR A 42 -33.483 -25.356 23.375 1.00 0.00 C ATOM 629 CG TYR A 42 -32.942 -25.959 24.659 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.450 -27.150 25.155 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.929 -25.335 25.374 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.972 -27.699 26.327 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.445 -25.879 26.551 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.971 -27.063 27.020 1.00 0.00 C ATOM 635 OH TYR A 42 -31.501 -27.607 28.193 1.00 0.00 O ATOM 0 H TYR A 42 -31.116 -25.085 22.489 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.194 -27.068 22.110 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.238 -24.294 23.357 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.570 -25.432 23.384 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.235 -27.658 24.614 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.512 -24.410 25.006 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.384 -28.626 26.698 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.660 -25.379 27.098 1.00 0.00 H new ATOM 0 HH TYR A 42 -31.951 -28.461 28.361 1.00 0.00 H new ATOM 645 N GLY A 43 -32.841 -24.678 20.045 1.00 0.00 N ATOM 646 CA GLY A 43 -33.366 -24.027 18.851 1.00 0.00 C ATOM 647 C GLY A 43 -34.254 -22.842 19.181 1.00 0.00 C ATOM 648 O GLY A 43 -35.185 -22.526 18.436 1.00 0.00 O ATOM 0 H GLY A 43 -31.838 -24.561 20.185 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.536 -23.693 18.228 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -33.933 -24.751 18.266 1.00 0.00 H new ATOM 652 N LEU A 44 -33.972 -22.187 20.299 1.00 0.00 N ATOM 653 CA LEU A 44 -34.792 -21.072 20.755 1.00 0.00 C ATOM 654 C LEU A 44 -33.977 -19.785 20.873 1.00 0.00 C ATOM 655 O LEU A 44 -34.358 -18.880 21.614 1.00 0.00 O ATOM 656 CB LEU A 44 -35.410 -21.408 22.121 1.00 0.00 C ATOM 657 CG LEU A 44 -36.241 -22.688 22.186 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.785 -22.904 23.588 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.367 -22.645 21.177 1.00 0.00 C ATOM 0 H LEU A 44 -33.183 -22.408 20.906 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.577 -20.912 20.016 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.605 -21.484 22.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -36.041 -20.573 22.427 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.593 -23.529 21.939 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.374 -23.821 23.613 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.956 -22.986 24.291 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -37.416 -22.060 23.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -37.947 -23.566 21.239 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -38.014 -21.794 21.390 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -36.953 -22.544 20.174 1.00 0.00 H new ATOM 671 N GLU A 45 -32.873 -19.683 20.121 1.00 0.00 N ATOM 672 CA GLU A 45 -31.976 -18.518 20.237 1.00 0.00 C ATOM 673 C GLU A 45 -32.688 -17.192 19.943 1.00 0.00 C ATOM 674 O GLU A 45 -32.330 -16.150 20.494 1.00 0.00 O ATOM 675 CB GLU A 45 -30.727 -18.663 19.359 1.00 0.00 C ATOM 676 CG GLU A 45 -29.753 -17.506 19.544 1.00 0.00 C ATOM 677 CD GLU A 45 -28.484 -17.639 18.747 1.00 0.00 C ATOM 678 OE1 GLU A 45 -28.561 -17.902 17.532 1.00 0.00 O ATOM 679 OE2 GLU A 45 -27.393 -17.447 19.334 1.00 0.00 O ATOM 0 H GLU A 45 -32.580 -20.379 19.435 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.657 -18.494 21.279 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.224 -19.600 19.598 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.026 -18.720 18.312 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -30.250 -16.578 19.263 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.499 -17.424 20.601 1.00 0.00 H new ATOM 686 N HIS A 46 -33.696 -17.239 19.096 1.00 0.00 N ATOM 687 CA HIS A 46 -34.459 -16.041 18.736 1.00 0.00 C ATOM 688 C HIS A 46 -35.163 -15.452 19.964 1.00 0.00 C ATOM 689 O HIS A 46 -35.419 -14.253 20.033 1.00 0.00 O ATOM 690 CB HIS A 46 -35.485 -16.376 17.651 1.00 0.00 C ATOM 691 CG HIS A 46 -34.871 -16.825 16.362 1.00 0.00 C ATOM 692 ND1 HIS A 46 -34.428 -18.114 16.153 1.00 0.00 N ATOM 693 CD2 HIS A 46 -34.615 -16.154 15.215 1.00 0.00 C ATOM 694 CE1 HIS A 46 -33.928 -18.214 14.936 1.00 0.00 C ATOM 695 NE2 HIS A 46 -34.028 -17.040 14.348 1.00 0.00 N ATOM 0 H HIS A 46 -34.014 -18.093 18.638 1.00 0.00 H new ATOM 0 HA HIS A 46 -33.763 -15.296 18.350 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -36.148 -17.159 18.020 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -36.102 -15.497 17.463 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -34.832 -15.114 15.019 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -33.508 -19.107 14.497 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -33.719 -16.824 13.400 1.00 0.00 H new ATOM 703 N SER A 47 -35.453 -16.304 20.930 1.00 0.00 N ATOM 704 CA SER A 47 -36.148 -15.904 22.142 1.00 0.00 C ATOM 705 C SER A 47 -35.160 -15.721 23.306 1.00 0.00 C ATOM 706 O SER A 47 -35.522 -15.894 24.466 1.00 0.00 O ATOM 707 CB SER A 47 -37.166 -16.987 22.497 1.00 0.00 C ATOM 708 OG SER A 47 -37.973 -17.307 21.372 1.00 0.00 O ATOM 0 H SER A 47 -35.213 -17.295 20.897 1.00 0.00 H new ATOM 0 HA SER A 47 -36.649 -14.951 21.971 1.00 0.00 H new ATOM 0 HB2 SER A 47 -36.647 -17.881 22.845 1.00 0.00 H new ATOM 0 HB3 SER A 47 -37.797 -16.645 23.318 1.00 0.00 H new ATOM 0 HG SER A 47 -38.617 -18.003 21.619 1.00 0.00 H new ATOM 714 N LYS A 48 -33.928 -15.324 22.988 1.00 0.00 N ATOM 715 CA LYS A 48 -32.864 -15.217 23.990 1.00 0.00 C ATOM 716 C LYS A 48 -33.166 -14.217 25.104 1.00 0.00 C ATOM 717 O LYS A 48 -32.818 -14.456 26.250 1.00 0.00 O ATOM 718 CB LYS A 48 -31.526 -14.872 23.347 1.00 0.00 C ATOM 719 CG LYS A 48 -30.341 -15.170 24.255 1.00 0.00 C ATOM 720 CD LYS A 48 -29.019 -14.869 23.584 1.00 0.00 C ATOM 721 CE LYS A 48 -28.757 -15.800 22.416 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.499 -15.455 21.705 1.00 0.00 N ATOM 0 H LYS A 48 -33.640 -15.070 22.043 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.808 -16.204 24.449 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.418 -15.435 22.420 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.518 -13.815 23.081 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.427 -14.580 25.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.366 -16.219 24.551 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -29.015 -13.837 23.234 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.212 -14.962 24.311 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.701 -16.827 22.776 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.593 -15.752 21.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.382 -16.082 20.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.542 -14.467 21.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.692 -15.575 22.350 1.00 0.00 H new ATOM 736 N ASP A 49 -33.813 -13.108 24.776 1.00 0.00 N ATOM 737 CA ASP A 49 -34.090 -12.066 25.781 1.00 0.00 C ATOM 738 C ASP A 49 -35.002 -12.580 26.897 1.00 0.00 C ATOM 739 O ASP A 49 -35.066 -12.004 27.985 1.00 0.00 O ATOM 740 CB ASP A 49 -34.699 -10.821 25.126 1.00 0.00 C ATOM 741 CG ASP A 49 -35.072 -9.748 26.140 1.00 0.00 C ATOM 742 OD1 ASP A 49 -34.162 -9.180 26.786 1.00 0.00 O ATOM 743 OD2 ASP A 49 -36.280 -9.466 26.289 1.00 0.00 O ATOM 0 H ASP A 49 -34.156 -12.899 23.838 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.136 -11.793 26.231 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -33.989 -10.408 24.410 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -35.587 -11.109 24.564 1.00 0.00 H new ATOM 748 N ASP A 50 -35.690 -13.668 26.633 1.00 0.00 N ATOM 749 CA ASP A 50 -36.601 -14.253 27.605 1.00 0.00 C ATOM 750 C ASP A 50 -35.837 -15.131 28.606 1.00 0.00 C ATOM 751 O ASP A 50 -36.390 -15.565 29.612 1.00 0.00 O ATOM 752 CB ASP A 50 -37.669 -15.084 26.873 1.00 0.00 C ATOM 753 CG ASP A 50 -38.844 -15.489 27.756 1.00 0.00 C ATOM 754 OD1 ASP A 50 -39.815 -14.702 27.858 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.825 -16.597 28.323 1.00 0.00 O ATOM 0 H ASP A 50 -35.639 -14.173 25.748 1.00 0.00 H new ATOM 0 HA ASP A 50 -37.086 -13.451 28.161 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.044 -14.511 26.025 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -37.203 -15.983 26.469 1.00 0.00 H new ATOM 760 N PHE A 51 -34.553 -15.366 28.344 1.00 0.00 N ATOM 761 CA PHE A 51 -33.765 -16.243 29.200 1.00 0.00 C ATOM 762 C PHE A 51 -32.422 -15.617 29.570 1.00 0.00 C ATOM 763 O PHE A 51 -31.866 -14.817 28.825 1.00 0.00 O ATOM 764 CB PHE A 51 -33.517 -17.582 28.505 1.00 0.00 C ATOM 765 CG PHE A 51 -34.759 -18.240 27.982 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.619 -18.914 28.831 1.00 0.00 C ATOM 767 CD2 PHE A 51 -35.074 -18.167 26.635 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.769 -19.508 28.344 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.220 -18.760 26.142 1.00 0.00 C ATOM 770 CZ PHE A 51 -37.067 -19.433 26.998 1.00 0.00 C ATOM 0 H PHE A 51 -34.043 -14.966 27.556 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.337 -16.398 30.114 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.825 -17.427 27.677 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -33.028 -18.258 29.206 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.390 -18.977 29.885 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.415 -17.639 25.961 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.434 -20.030 29.016 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.452 -18.697 25.089 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.962 -19.901 26.616 1.00 0.00 H new ATOM 780 N ILE A 52 -31.927 -15.980 30.737 1.00 0.00 N ATOM 781 CA ILE A 52 -30.613 -15.556 31.215 1.00 0.00 C ATOM 782 C ILE A 52 -29.943 -16.726 31.909 1.00 0.00 C ATOM 783 O ILE A 52 -30.580 -17.759 32.141 1.00 0.00 O ATOM 784 CB ILE A 52 -30.687 -14.338 32.183 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.614 -14.648 33.368 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.118 -13.077 31.442 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.734 -13.523 34.368 1.00 0.00 C ATOM 0 H ILE A 52 -32.426 -16.583 31.391 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.032 -15.234 30.350 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.690 -14.152 32.582 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.606 -14.888 32.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.246 -15.537 33.880 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.162 -12.241 32.141 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.398 -12.854 30.654 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.102 -13.233 31.001 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.406 -13.822 35.173 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.751 -13.297 34.781 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -32.132 -12.637 33.873 1.00 0.00 H new ATOM 799 N LEU A 53 -28.688 -16.582 32.249 1.00 0.00 N ATOM 800 CA LEU A 53 -27.971 -17.656 32.900 1.00 0.00 C ATOM 801 C LEU A 53 -27.901 -17.415 34.382 1.00 0.00 C ATOM 802 O LEU A 53 -27.783 -16.286 34.826 1.00 0.00 O ATOM 803 CB LEU A 53 -26.565 -17.803 32.327 1.00 0.00 C ATOM 804 CG LEU A 53 -26.487 -18.192 30.856 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.045 -18.227 30.399 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.142 -19.544 30.629 1.00 0.00 C ATOM 0 H LEU A 53 -28.140 -15.737 32.088 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.514 -18.583 32.716 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.037 -16.859 32.462 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.031 -18.553 32.911 1.00 0.00 H new ATOM 0 HG LEU A 53 -27.022 -17.444 30.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -25.004 -18.506 29.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.597 -17.242 30.531 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.494 -18.958 30.990 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.078 -19.807 29.573 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.630 -20.301 31.223 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.189 -19.496 30.928 1.00 0.00 H new ATOM 818 N VAL A 54 -28.025 -18.467 35.140 1.00 0.00 N ATOM 819 CA VAL A 54 -27.974 -18.377 36.580 1.00 0.00 C ATOM 820 C VAL A 54 -27.047 -19.433 37.158 1.00 0.00 C ATOM 821 O VAL A 54 -27.054 -20.589 36.724 1.00 0.00 O ATOM 822 CB VAL A 54 -29.380 -18.506 37.217 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.213 -17.262 36.955 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.091 -19.737 36.693 1.00 0.00 C ATOM 0 H VAL A 54 -28.164 -19.412 34.782 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.583 -17.389 36.822 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.253 -18.609 38.295 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.195 -17.379 37.413 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.714 -16.393 37.384 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.328 -17.121 35.880 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.077 -19.811 37.152 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.199 -19.662 35.611 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.509 -20.625 36.939 1.00 0.00 H new ATOM 834 N GLU A 55 -26.243 -19.033 38.116 1.00 0.00 N ATOM 835 CA GLU A 55 -25.342 -19.954 38.782 1.00 0.00 C ATOM 836 C GLU A 55 -26.052 -20.619 39.917 1.00 0.00 C ATOM 837 O GLU A 55 -26.484 -19.959 40.859 1.00 0.00 O ATOM 838 CB GLU A 55 -24.120 -19.228 39.316 1.00 0.00 C ATOM 839 CG GLU A 55 -22.849 -19.478 38.534 1.00 0.00 C ATOM 840 CD GLU A 55 -21.725 -18.571 39.006 1.00 0.00 C ATOM 841 OE1 GLU A 55 -21.659 -18.285 40.226 1.00 0.00 O ATOM 842 OE2 GLU A 55 -20.944 -18.091 38.160 1.00 0.00 O ATOM 0 H GLU A 55 -26.192 -18.072 38.455 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.017 -20.699 38.056 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -24.323 -18.157 39.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.959 -19.527 40.352 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.550 -20.520 38.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.033 -19.311 37.473 1.00 0.00 H new ATOM 849 N VAL A 56 -26.178 -21.913 39.829 1.00 0.00 N ATOM 850 CA VAL A 56 -26.849 -22.668 40.848 1.00 0.00 C ATOM 851 C VAL A 56 -25.839 -23.514 41.575 1.00 0.00 C ATOM 852 O VAL A 56 -25.089 -24.282 40.952 1.00 0.00 O ATOM 853 CB VAL A 56 -27.928 -23.592 40.241 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.719 -24.304 41.327 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.851 -22.818 39.321 1.00 0.00 C ATOM 0 H VAL A 56 -25.821 -22.471 39.054 1.00 0.00 H new ATOM 0 HA VAL A 56 -27.334 -21.970 41.531 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.418 -24.351 39.648 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.470 -24.947 40.868 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -28.044 -24.910 41.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.211 -23.567 41.962 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.601 -23.492 38.907 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.346 -22.026 39.884 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.271 -22.378 38.510 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.511 -19.220 41.537 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.138 -18.776 41.540 1.00 0.00 C ATOM 1114 C GLY A 73 -29.012 -17.302 41.281 1.00 0.00 C ATOM 1115 O GLY A 73 -30.017 -16.591 41.225 1.00 0.00 O ATOM 0 HA2 GLY A 73 -28.685 -19.013 42.502 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.580 -19.324 40.781 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.786 -16.834 41.102 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.552 -15.431 40.870 1.00 0.00 C ATOM 1121 C ARG A 74 -27.778 -15.098 39.397 1.00 0.00 C ATOM 1122 O ARG A 74 -27.331 -15.839 38.516 1.00 0.00 O ATOM 1123 CB ARG A 74 -26.132 -15.038 41.304 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.023 -15.728 40.528 1.00 0.00 C ATOM 1125 CD ARG A 74 -23.662 -15.152 40.879 1.00 0.00 C ATOM 1126 NE ARG A 74 -22.619 -15.634 39.974 1.00 0.00 N ATOM 1127 CZ ARG A 74 -22.081 -14.904 38.990 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -22.453 -13.640 38.809 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -21.175 -15.438 38.185 1.00 0.00 N ATOM 0 H ARG A 74 -26.944 -17.410 41.114 1.00 0.00 H new ATOM 0 HA ARG A 74 -28.258 -14.856 41.469 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -26.018 -13.959 41.195 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -26.013 -15.266 42.363 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -25.035 -16.796 40.745 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.202 -15.618 39.458 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -23.706 -14.064 40.836 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -23.407 -15.421 41.904 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.280 -16.588 40.101 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -23.152 -13.221 39.422 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -22.039 -13.089 38.057 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.886 -16.408 38.314 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.766 -14.880 37.436 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.511 -14.007 39.108 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.772 -13.579 37.731 1.00 0.00 C ATOM 1145 C PRO A 75 -27.493 -13.179 37.009 1.00 0.00 C ATOM 1146 O PRO A 75 -26.766 -12.283 37.451 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.692 -12.358 37.891 1.00 0.00 C ATOM 1148 CG PRO A 75 -30.215 -12.441 39.284 1.00 0.00 C ATOM 1149 CD PRO A 75 -29.148 -13.116 40.088 1.00 0.00 C ATOM 0 HA PRO A 75 -29.211 -14.379 37.135 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.145 -11.429 37.731 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.504 -12.379 37.164 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -30.431 -11.448 39.679 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.146 -13.007 39.318 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.439 -12.398 40.502 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.566 -13.672 40.927 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.214 -13.851 35.916 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.047 -13.565 35.122 1.00 0.00 C ATOM 1159 C ILE A 76 -26.463 -13.198 33.702 1.00 0.00 C ATOM 1160 O ILE A 76 -26.768 -14.071 32.879 1.00 0.00 O ATOM 1161 CB ILE A 76 -25.099 -14.783 35.086 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.811 -15.250 36.514 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.804 -14.429 34.363 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.291 -16.660 36.609 1.00 0.00 C ATOM 0 H ILE A 76 -27.791 -14.611 35.554 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.520 -12.726 35.575 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.579 -15.594 34.539 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.084 -14.575 36.965 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.726 -15.172 37.101 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -23.147 -15.299 34.347 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -24.029 -14.125 33.341 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.309 -13.610 34.884 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -24.113 -16.912 37.654 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -25.026 -17.348 36.190 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.358 -16.742 36.052 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.534 -11.899 33.419 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.870 -11.384 32.090 1.00 0.00 C ATOM 1178 C PRO A 77 -25.830 -11.770 31.031 1.00 0.00 C ATOM 1179 O PRO A 77 -24.680 -12.075 31.355 1.00 0.00 O ATOM 1180 CB PRO A 77 -26.891 -9.862 32.304 1.00 0.00 C ATOM 1181 CG PRO A 77 -27.143 -9.719 33.756 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.359 -10.815 34.387 1.00 0.00 C ATOM 0 HA PRO A 77 -27.809 -11.791 31.716 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -25.946 -9.403 32.014 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.672 -9.384 31.712 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -26.822 -8.743 34.119 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -28.205 -9.810 33.984 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.310 -10.547 34.516 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.744 -11.079 35.372 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.230 -11.729 29.745 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.375 -12.124 28.612 1.00 0.00 C ATOM 1192 C PRO A 78 -24.037 -11.380 28.563 1.00 0.00 C ATOM 1193 O PRO A 78 -23.042 -11.912 28.082 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.210 -11.753 27.385 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.614 -11.722 27.861 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.569 -11.310 29.298 1.00 0.00 C ATOM 0 HA PRO A 78 -25.108 -13.178 28.681 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.910 -10.785 26.983 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.082 -12.484 26.586 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -28.206 -11.019 27.275 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.081 -12.701 27.753 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.709 -10.235 29.410 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.354 -11.796 29.878 1.00 0.00 H new ATOM 1204 N THR A 79 -24.018 -10.170 29.067 1.00 0.00 N ATOM 1205 CA THR A 79 -22.815 -9.343 29.014 1.00 0.00 C ATOM 1206 C THR A 79 -21.787 -9.679 30.110 1.00 0.00 C ATOM 1207 O THR A 79 -20.711 -9.076 30.158 1.00 0.00 O ATOM 1208 CB THR A 79 -23.172 -7.852 29.075 1.00 0.00 C ATOM 1209 OG1 THR A 79 -24.111 -7.619 30.145 1.00 0.00 O ATOM 1210 CG2 THR A 79 -23.777 -7.404 27.756 1.00 0.00 C ATOM 0 H THR A 79 -24.817 -9.727 29.521 1.00 0.00 H new ATOM 0 HA THR A 79 -22.343 -9.570 28.058 1.00 0.00 H new ATOM 0 HB THR A 79 -22.264 -7.279 29.260 1.00 0.00 H new ATOM 0 HG1 THR A 79 -24.335 -6.666 30.182 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.026 -6.344 27.811 1.00 0.00 H new ATOM 0 HG22 THR A 79 -23.059 -7.566 26.952 1.00 0.00 H new ATOM 0 HG23 THR A 79 -24.681 -7.979 27.556 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.109 -10.632 30.973 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.190 -11.035 32.035 1.00 0.00 C ATOM 1220 C GLU A 80 -20.549 -12.388 31.709 1.00 0.00 C ATOM 1221 O GLU A 80 -21.194 -13.253 31.139 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.931 -11.124 33.374 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.028 -11.449 34.554 1.00 0.00 C ATOM 1224 CD GLU A 80 -21.783 -11.561 35.857 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -22.488 -10.599 36.226 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -21.658 -12.598 36.529 1.00 0.00 O ATOM 0 H GLU A 80 -22.994 -11.140 30.962 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.405 -10.283 32.110 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.434 -10.176 33.564 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.706 -11.887 33.300 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -20.508 -12.387 34.360 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.266 -10.675 34.646 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.275 -12.550 32.055 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.575 -13.818 31.855 1.00 0.00 C ATOM 1235 C CYS A 81 -18.384 -14.540 33.211 1.00 0.00 C ATOM 1236 O CYS A 81 -17.407 -14.304 33.923 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.223 -13.577 31.164 1.00 0.00 C ATOM 1238 SG CYS A 81 -16.284 -12.174 31.827 1.00 0.00 S ATOM 0 H CYS A 81 -18.704 -11.818 32.477 1.00 0.00 H new ATOM 0 HA CYS A 81 -19.176 -14.458 31.209 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.617 -14.479 31.253 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -17.396 -13.413 30.100 1.00 0.00 H new ATOM 0 HG CYS A 81 -15.168 -12.602 32.338 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.334 -15.424 33.583 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.345 -16.086 34.905 1.00 0.00 C ATOM 1246 C PRO A 82 -18.211 -17.100 35.130 1.00 0.00 C ATOM 1247 O PRO A 82 -17.824 -17.362 36.272 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.702 -16.797 34.935 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.059 -17.013 33.503 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.466 -15.860 32.739 1.00 0.00 C ATOM 0 HA PRO A 82 -19.192 -15.352 35.696 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.640 -17.743 35.473 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.453 -16.191 35.442 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.663 -17.962 33.143 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.141 -17.049 33.374 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.131 -16.166 31.748 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.191 -15.059 32.597 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.653 -17.630 34.050 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.644 -18.690 34.152 1.00 0.00 C ATOM 1260 C LEU A 83 -15.393 -18.236 34.878 1.00 0.00 C ATOM 1261 O LEU A 83 -14.698 -19.052 35.487 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.292 -19.253 32.784 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.445 -19.893 32.038 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -16.993 -20.434 30.704 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.094 -20.983 32.864 1.00 0.00 C ATOM 0 H LEU A 83 -17.877 -17.349 33.095 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.093 -19.484 34.749 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.884 -18.449 32.171 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.502 -19.994 32.905 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.190 -19.119 31.856 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.840 -20.888 30.190 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.594 -19.621 30.098 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.218 -21.185 30.859 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.918 -21.423 32.302 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.358 -21.754 33.093 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.474 -20.558 33.793 1.00 0.00 H new ATOM 1277 N PHE A 84 -15.104 -16.948 34.811 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.938 -16.390 35.479 1.00 0.00 C ATOM 1279 C PHE A 84 -13.976 -16.659 36.966 1.00 0.00 C ATOM 1280 O PHE A 84 -13.007 -17.134 37.537 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.864 -14.890 35.222 1.00 0.00 C ATOM 1282 CG PHE A 84 -13.165 -14.539 33.950 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.812 -14.658 32.749 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.859 -14.084 33.964 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -13.180 -14.330 31.569 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -11.216 -13.754 32.789 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.879 -13.878 31.588 1.00 0.00 C ATOM 0 H PHE A 84 -15.663 -16.265 34.299 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.050 -16.873 35.072 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.875 -14.483 35.196 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -13.349 -14.411 36.055 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.831 -15.014 32.726 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.337 -13.986 34.905 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.705 -14.427 30.630 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.196 -13.400 32.811 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.381 -13.622 30.665 1.00 0.00 H new ATOM 1297 N GLU A 85 -15.103 -16.382 37.576 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.266 -16.580 38.994 1.00 0.00 C ATOM 1299 C GLU A 85 -15.448 -18.057 39.331 1.00 0.00 C ATOM 1300 O GLU A 85 -14.950 -18.539 40.356 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.427 -15.744 39.484 1.00 0.00 C ATOM 1302 CG GLU A 85 -16.193 -14.267 39.245 1.00 0.00 C ATOM 1303 CD GLU A 85 -14.976 -13.756 39.982 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -14.955 -13.835 41.226 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -14.026 -13.287 39.320 1.00 0.00 O ATOM 0 H GLU A 85 -15.930 -16.014 37.105 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.361 -16.255 39.508 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.340 -16.055 38.976 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.579 -15.921 40.549 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.071 -14.088 38.177 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.071 -13.705 39.564 1.00 0.00 H new ATOM 1312 N MET A 86 -16.148 -18.773 38.457 1.00 0.00 N ATOM 1313 CA MET A 86 -16.388 -20.202 38.642 1.00 0.00 C ATOM 1314 C MET A 86 -15.075 -20.982 38.687 1.00 0.00 C ATOM 1315 O MET A 86 -14.736 -21.604 39.702 1.00 0.00 O ATOM 1316 CB MET A 86 -17.269 -20.756 37.507 1.00 0.00 C ATOM 1317 CG MET A 86 -18.691 -20.227 37.504 1.00 0.00 C ATOM 1318 SD MET A 86 -19.657 -20.829 36.097 1.00 0.00 S ATOM 1319 CE MET A 86 -19.746 -22.581 36.460 1.00 0.00 C ATOM 0 H MET A 86 -16.561 -18.385 37.609 1.00 0.00 H new ATOM 0 HA MET A 86 -16.904 -20.325 39.594 1.00 0.00 H new ATOM 0 HB2 MET A 86 -16.803 -20.516 36.551 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.298 -21.843 37.584 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.185 -20.520 38.430 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.669 -19.137 37.485 1.00 0.00 H new ATOM 0 HE1 MET A 86 -20.507 -23.045 35.832 1.00 0.00 H new ATOM 0 HE2 MET A 86 -18.779 -23.043 36.261 1.00 0.00 H new ATOM 0 HE3 MET A 86 -20.006 -22.722 37.509 1.00 0.00 H new ATOM 1329 N THR A 87 -14.329 -20.925 37.600 1.00 0.00 N ATOM 1330 CA THR A 87 -13.097 -21.683 37.472 1.00 0.00 C ATOM 1331 C THR A 87 -12.012 -21.177 38.443 1.00 0.00 C ATOM 1332 O THR A 87 -11.112 -21.924 38.813 1.00 0.00 O ATOM 1333 CB THR A 87 -12.573 -21.626 36.027 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.690 -21.666 35.124 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.670 -22.821 35.739 1.00 0.00 C ATOM 0 H THR A 87 -14.557 -20.356 36.785 1.00 0.00 H new ATOM 0 HA THR A 87 -13.326 -22.717 37.730 1.00 0.00 H new ATOM 0 HB THR A 87 -12.003 -20.706 35.895 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.058 -20.764 35.019 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.308 -22.765 34.712 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.822 -22.810 36.424 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.234 -23.744 35.875 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.925 -24.949 39.097 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.126 -25.085 37.681 1.00 0.00 C ATOM 1497 C PHE A 100 -23.888 -23.905 37.143 1.00 0.00 C ATOM 1498 O PHE A 100 -24.487 -23.136 37.901 1.00 0.00 O ATOM 1499 CB PHE A 100 -23.834 -26.392 37.314 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.198 -26.558 37.917 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.287 -25.897 37.378 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.396 -27.407 38.993 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.552 -26.076 37.904 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.656 -27.585 39.528 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.736 -26.920 38.982 1.00 0.00 C ATOM 0 HA PHE A 100 -22.139 -25.115 37.219 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -23.922 -26.449 36.229 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.209 -27.228 37.628 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.147 -25.234 36.537 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.556 -27.936 39.418 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.395 -25.557 37.473 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.797 -28.243 40.372 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.723 -27.060 39.397 1.00 0.00 H new ATOM 1515 N LEU A 101 -23.878 -23.768 35.851 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.537 -22.676 35.211 1.00 0.00 C ATOM 1517 C LEU A 101 -25.770 -23.187 34.480 1.00 0.00 C ATOM 1518 O LEU A 101 -25.674 -24.054 33.611 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.560 -22.012 34.252 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.011 -20.716 33.607 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.293 -19.661 34.663 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -22.942 -20.236 32.658 1.00 0.00 C ATOM 0 H LEU A 101 -23.411 -24.412 35.213 1.00 0.00 H new ATOM 0 HA LEU A 101 -24.863 -21.939 35.945 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.633 -21.819 34.791 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.326 -22.723 33.459 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.934 -20.894 33.055 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.615 -18.739 34.179 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.079 -20.015 35.330 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.387 -19.471 35.239 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.261 -19.304 32.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.016 -20.068 33.208 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.775 -20.989 31.888 1.00 0.00 H new ATOM 1534 N ALA A 102 -26.918 -22.658 34.842 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.172 -23.091 34.262 1.00 0.00 C ATOM 1536 C ALA A 102 -28.887 -21.932 33.599 1.00 0.00 C ATOM 1537 O ALA A 102 -28.445 -20.787 33.691 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.050 -23.720 35.331 1.00 0.00 C ATOM 0 H ALA A 102 -27.010 -21.921 35.541 1.00 0.00 H new ATOM 0 HA ALA A 102 -27.961 -23.838 33.497 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -29.991 -24.043 34.885 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.539 -24.581 35.762 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.251 -22.988 36.114 1.00 0.00 H new ATOM 1544 N ILE A 103 -29.991 -22.226 32.935 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.753 -21.205 32.247 1.00 0.00 C ATOM 1546 C ILE A 103 -32.060 -20.937 32.987 1.00 0.00 C ATOM 1547 O ILE A 103 -32.798 -21.865 33.316 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.088 -21.622 30.797 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.819 -21.997 30.029 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.805 -20.482 30.083 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -30.092 -22.548 28.646 1.00 0.00 C ATOM 0 H ILE A 103 -30.379 -23.166 32.859 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.137 -20.306 32.222 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.739 -22.495 30.833 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.183 -21.116 29.942 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.262 -22.737 30.603 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -32.038 -20.782 29.061 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.728 -20.245 30.612 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.162 -19.602 30.065 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -29.148 -22.793 28.159 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.702 -23.447 28.727 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.622 -21.801 28.055 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.332 -19.679 33.247 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.549 -19.276 33.930 1.00 0.00 C ATOM 1565 C LYS A 104 -34.291 -18.311 33.066 1.00 0.00 C ATOM 1566 O LYS A 104 -33.710 -17.703 32.160 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.210 -18.577 35.241 1.00 0.00 C ATOM 1568 CG LYS A 104 -34.382 -18.346 36.196 1.00 0.00 C ATOM 1569 CD LYS A 104 -34.822 -19.636 36.883 1.00 0.00 C ATOM 1570 CE LYS A 104 -35.934 -19.369 37.894 1.00 0.00 C ATOM 1571 NZ LYS A 104 -36.370 -20.604 38.598 1.00 0.00 N ATOM 0 H LYS A 104 -31.720 -18.904 32.993 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.152 -20.162 34.132 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.454 -19.166 35.760 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -32.759 -17.612 35.010 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -34.096 -17.613 36.950 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -35.222 -17.924 35.644 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -35.169 -20.349 36.136 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -33.970 -20.092 37.387 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -35.588 -18.640 38.626 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.788 -18.926 37.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -37.126 -20.370 39.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -36.726 -21.292 37.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -35.563 -21.015 39.110 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.552 -18.157 33.324 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.299 -17.170 32.608 1.00 0.00 C ATOM 1587 C ARG A 105 -36.094 -15.824 33.240 1.00 0.00 C ATOM 1588 O ARG A 105 -36.404 -15.616 34.416 1.00 0.00 O ATOM 1589 CB ARG A 105 -37.787 -17.483 32.507 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.118 -18.694 31.662 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.607 -18.754 31.385 1.00 0.00 C ATOM 1592 NE ARG A 105 -40.028 -17.619 30.549 1.00 0.00 N ATOM 1593 CZ ARG A 105 -41.219 -17.027 30.605 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -42.159 -17.487 31.416 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -41.472 -15.975 29.831 1.00 0.00 N ATOM 0 H ARG A 105 -36.080 -18.692 34.014 1.00 0.00 H new ATOM 0 HA ARG A 105 -35.920 -17.171 31.586 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.182 -17.638 33.511 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.301 -16.615 32.093 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.568 -18.651 30.722 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.800 -19.601 32.175 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -39.851 -19.691 30.884 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.157 -18.743 32.326 1.00 0.00 H new ATOM 0 HE ARG A 105 -39.355 -17.257 29.874 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -41.973 -18.300 32.003 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -43.069 -17.028 31.454 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -40.754 -15.624 29.197 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -42.384 -15.519 29.872 1.00 0.00 H new ATOM 1609 N LYS A 106 -35.512 -14.942 32.469 1.00 0.00 N ATOM 1610 CA LYS A 106 -35.281 -13.562 32.871 1.00 0.00 C ATOM 1611 C LYS A 106 -36.547 -12.884 33.440 1.00 0.00 C ATOM 1612 O LYS A 106 -36.532 -12.375 34.559 1.00 0.00 O ATOM 1613 CB LYS A 106 -34.651 -12.774 31.707 1.00 0.00 C ATOM 1614 CG LYS A 106 -34.640 -11.279 31.868 1.00 0.00 C ATOM 1615 CD LYS A 106 -33.994 -10.632 30.663 1.00 0.00 C ATOM 1616 CE LYS A 106 -34.313 -9.168 30.601 1.00 0.00 C ATOM 1617 NZ LYS A 106 -33.667 -8.502 29.442 1.00 0.00 N ATOM 0 H LYS A 106 -35.177 -15.157 31.530 1.00 0.00 H new ATOM 0 HA LYS A 106 -34.571 -13.565 33.698 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -33.624 -13.115 31.574 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -35.190 -13.019 30.792 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -35.659 -10.911 31.986 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -34.096 -11.007 32.772 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -32.914 -10.770 30.707 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -34.341 -11.122 29.753 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -35.393 -9.036 30.538 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -33.986 -8.687 31.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -33.887 -7.486 29.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -32.637 -8.634 29.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -34.024 -8.919 28.559 1.00 0.00 H new