USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.834 X(o=-0.83,f=-0.83) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 27 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.6!) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -6.13 K(o=-6.1,f=-20!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.599) USER MOD Single : A 36 HIS : no HD1:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.158 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.205 K(o=-0.21,f=-5.1!) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.871 USER MOD Single : A 53 GLN : amide:sc= -1.19! X(o=-1.2!,f=-0.95) USER MOD Single : A 58 GLN : amide:sc= -1.03 K(o=-1,f=-7.2!) USER MOD Single : A 61 LYS NZ :NH3+ 148:sc= 1.12 (180deg=0.0047) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.2) USER MOD Single : A 66 TYR OH : rot 60:sc= 0.823 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 7.939 -12.966 -7.296 1.00 0.00 N ATOM 60 CA GLY A 7 7.181 -11.731 -7.194 1.00 0.00 C ATOM 61 C GLY A 7 7.722 -10.847 -6.069 1.00 0.00 C ATOM 62 O GLY A 7 8.518 -11.299 -5.247 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.229 -11.192 -8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.131 -11.959 -7.010 1.00 0.00 H new ATOM 66 N LEU A 8 7.268 -9.602 -6.068 1.00 0.00 N ATOM 67 CA LEU A 8 7.696 -8.650 -5.057 1.00 0.00 C ATOM 68 C LEU A 8 6.664 -8.613 -3.928 1.00 0.00 C ATOM 69 O LEU A 8 5.465 -8.507 -4.181 1.00 0.00 O ATOM 70 CB LEU A 8 7.966 -7.283 -5.689 1.00 0.00 C ATOM 71 CG LEU A 8 8.430 -6.182 -4.733 1.00 0.00 C ATOM 72 CD1 LEU A 8 9.619 -5.416 -5.315 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.273 -5.252 -4.365 1.00 0.00 C ATOM 0 H LEU A 8 6.608 -9.231 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 8 8.642 -8.963 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.722 -7.406 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.055 -6.947 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 8 8.771 -6.652 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.929 -4.639 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.447 -6.104 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.329 -4.958 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.630 -4.479 -3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.879 -4.787 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.485 -5.827 -3.879 1.00 0.00 H new ATOM 85 N GLU A 9 7.168 -8.703 -2.706 1.00 0.00 N ATOM 86 CA GLU A 9 6.305 -8.681 -1.537 1.00 0.00 C ATOM 87 C GLU A 9 6.166 -7.253 -1.007 1.00 0.00 C ATOM 88 O GLU A 9 7.108 -6.465 -1.079 1.00 0.00 O ATOM 89 CB GLU A 9 6.831 -9.621 -0.450 1.00 0.00 C ATOM 90 CG GLU A 9 5.811 -9.776 0.680 1.00 0.00 C ATOM 91 CD GLU A 9 6.169 -10.959 1.583 1.00 0.00 C ATOM 92 OE1 GLU A 9 6.958 -10.735 2.526 1.00 0.00 O ATOM 93 OE2 GLU A 9 5.646 -12.061 1.309 1.00 0.00 O ATOM 0 H GLU A 9 8.163 -8.791 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 9 5.317 -9.036 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.051 -10.597 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.767 -9.232 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.775 -8.861 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.816 -9.923 0.259 1.00 0.00 H new ATOM 100 N VAL A 10 4.984 -6.962 -0.485 1.00 0.00 N ATOM 101 CA VAL A 10 4.709 -5.643 0.057 1.00 0.00 C ATOM 102 C VAL A 10 3.788 -5.777 1.272 1.00 0.00 C ATOM 103 O VAL A 10 2.754 -6.439 1.201 1.00 0.00 O ATOM 104 CB VAL A 10 4.132 -4.738 -1.034 1.00 0.00 C ATOM 105 CG1 VAL A 10 3.905 -3.320 -0.507 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.034 -4.726 -2.270 1.00 0.00 C ATOM 0 H VAL A 10 4.205 -7.618 -0.426 1.00 0.00 H new ATOM 0 HA VAL A 10 5.630 -5.171 0.398 1.00 0.00 H new ATOM 0 HB VAL A 10 3.165 -5.144 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.495 -2.698 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.205 -3.350 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.853 -2.901 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.601 -4.075 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.022 -4.356 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.122 -5.738 -2.666 1.00 0.00 H new ATOM 116 N LEU A 11 4.196 -5.137 2.358 1.00 0.00 N ATOM 117 CA LEU A 11 3.421 -5.176 3.586 1.00 0.00 C ATOM 118 C LEU A 11 2.652 -3.862 3.741 1.00 0.00 C ATOM 119 O LEU A 11 2.901 -2.904 3.011 1.00 0.00 O ATOM 120 CB LEU A 11 4.322 -5.506 4.778 1.00 0.00 C ATOM 121 CG LEU A 11 4.829 -6.947 4.856 1.00 0.00 C ATOM 122 CD1 LEU A 11 5.861 -7.226 3.761 1.00 0.00 C ATOM 123 CD2 LEU A 11 5.375 -7.261 6.251 1.00 0.00 C ATOM 0 H LEU A 11 5.054 -4.588 2.413 1.00 0.00 H new ATOM 0 HA LEU A 11 2.681 -5.975 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.184 -4.839 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.775 -5.284 5.694 1.00 0.00 H new ATOM 0 HG LEU A 11 3.986 -7.615 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.205 -8.257 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.406 -7.069 2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.709 -6.551 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.729 -8.292 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.201 -6.587 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.584 -7.128 6.990 1.00 0.00 H new ATOM 135 N VAL A 12 1.735 -3.860 4.697 1.00 0.00 N ATOM 136 CA VAL A 12 0.928 -2.679 4.957 1.00 0.00 C ATOM 137 C VAL A 12 0.412 -2.727 6.396 1.00 0.00 C ATOM 138 O VAL A 12 -0.357 -3.618 6.754 1.00 0.00 O ATOM 139 CB VAL A 12 -0.194 -2.574 3.922 1.00 0.00 C ATOM 140 CG1 VAL A 12 -1.148 -1.428 4.263 1.00 0.00 C ATOM 141 CG2 VAL A 12 0.375 -2.412 2.511 1.00 0.00 C ATOM 0 H VAL A 12 1.533 -4.657 5.301 1.00 0.00 H new ATOM 0 HA VAL A 12 1.529 -1.775 4.857 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.763 -3.503 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.936 -1.375 3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.592 -1.603 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.597 -0.488 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.443 -2.340 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.979 -1.506 2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.995 -3.275 2.267 1.00 0.00 H new ATOM 151 N LYS A 13 0.855 -1.757 7.182 1.00 0.00 N ATOM 152 CA LYS A 13 0.447 -1.677 8.575 1.00 0.00 C ATOM 153 C LYS A 13 -0.495 -0.486 8.758 1.00 0.00 C ATOM 154 O LYS A 13 -0.126 0.652 8.473 1.00 0.00 O ATOM 155 CB LYS A 13 1.672 -1.639 9.490 1.00 0.00 C ATOM 156 CG LYS A 13 1.291 -1.990 10.930 1.00 0.00 C ATOM 157 CD LYS A 13 1.905 -0.995 11.918 1.00 0.00 C ATOM 158 CE LYS A 13 2.705 -1.721 13.001 1.00 0.00 C ATOM 159 NZ LYS A 13 4.088 -1.975 12.540 1.00 0.00 N ATOM 0 H LYS A 13 1.492 -1.020 6.881 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.109 -2.570 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.423 -2.341 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.122 -0.647 9.461 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.206 -1.988 11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.632 -2.998 11.165 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.555 -0.301 11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.116 -0.402 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.723 -1.122 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.219 -2.664 13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.618 -2.468 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.066 -2.565 11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.554 -1.070 12.325 1.00 0.00 H new ATOM 173 N THR A 14 -1.695 -0.788 9.232 1.00 0.00 N ATOM 174 CA THR A 14 -2.693 0.244 9.457 1.00 0.00 C ATOM 175 C THR A 14 -2.540 0.837 10.859 1.00 0.00 C ATOM 176 O THR A 14 -1.666 0.425 11.620 1.00 0.00 O ATOM 177 CB THR A 14 -4.072 -0.369 9.204 1.00 0.00 C ATOM 178 OG1 THR A 14 -4.050 -1.590 9.939 1.00 0.00 O ATOM 179 CG2 THR A 14 -4.258 -0.813 7.752 1.00 0.00 C ATOM 0 H THR A 14 -1.999 -1.733 9.467 1.00 0.00 H new ATOM 0 HA THR A 14 -2.561 1.079 8.769 1.00 0.00 H new ATOM 0 HB THR A 14 -4.844 0.355 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.908 -2.052 9.832 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.253 -1.241 7.627 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.147 0.047 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.507 -1.562 7.502 1.00 0.00 H new ATOM 187 N LEU A 15 -3.404 1.797 11.158 1.00 0.00 N ATOM 188 CA LEU A 15 -3.375 2.451 12.455 1.00 0.00 C ATOM 189 C LEU A 15 -4.087 1.569 13.482 1.00 0.00 C ATOM 190 O LEU A 15 -5.007 2.020 14.162 1.00 0.00 O ATOM 191 CB LEU A 15 -3.952 3.865 12.354 1.00 0.00 C ATOM 192 CG LEU A 15 -3.544 4.669 11.118 1.00 0.00 C ATOM 193 CD1 LEU A 15 -2.062 4.467 10.797 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.440 4.334 9.924 1.00 0.00 C ATOM 0 H LEU A 15 -4.128 2.137 10.525 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.347 2.574 12.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.040 3.795 12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.652 4.423 13.241 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.685 5.727 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.798 5.049 9.914 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.458 4.796 11.643 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.872 3.411 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.128 4.920 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.356 3.272 9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.475 4.571 10.168 1.00 0.00 H new ATOM 206 N ASP A 16 -3.633 0.327 13.563 1.00 0.00 N ATOM 207 CA ASP A 16 -4.214 -0.623 14.496 1.00 0.00 C ATOM 208 C ASP A 16 -3.325 -1.866 14.573 1.00 0.00 C ATOM 209 O ASP A 16 -3.819 -2.976 14.769 1.00 0.00 O ATOM 210 CB ASP A 16 -5.606 -1.065 14.038 1.00 0.00 C ATOM 211 CG ASP A 16 -6.613 -1.302 15.165 1.00 0.00 C ATOM 212 OD1 ASP A 16 -6.737 -0.394 16.015 1.00 0.00 O ATOM 213 OD2 ASP A 16 -7.235 -2.386 15.150 1.00 0.00 O ATOM 0 H ASP A 16 -2.869 -0.043 12.997 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.292 -0.135 15.468 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.008 -0.307 13.365 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.507 -1.984 13.460 1.00 0.00 H new ATOM 218 N SER A 17 -2.030 -1.638 14.414 1.00 0.00 N ATOM 219 CA SER A 17 -1.067 -2.726 14.463 1.00 0.00 C ATOM 220 C SER A 17 -1.612 -3.941 13.709 1.00 0.00 C ATOM 221 O SER A 17 -1.965 -4.948 14.321 1.00 0.00 O ATOM 222 CB SER A 17 -0.735 -3.103 15.908 1.00 0.00 C ATOM 223 OG SER A 17 0.429 -2.430 16.381 1.00 0.00 O ATOM 0 H SER A 17 -1.625 -0.716 14.251 1.00 0.00 H new ATOM 0 HA SER A 17 -0.147 -2.391 13.983 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.581 -2.859 16.550 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.584 -4.180 15.976 1.00 0.00 H new ATOM 0 HG SER A 17 0.607 -2.696 17.307 1.00 0.00 H new ATOM 229 N GLN A 18 -1.663 -3.806 12.392 1.00 0.00 N ATOM 230 CA GLN A 18 -2.158 -4.880 11.548 1.00 0.00 C ATOM 231 C GLN A 18 -1.365 -4.938 10.241 1.00 0.00 C ATOM 232 O GLN A 18 -1.724 -4.283 9.264 1.00 0.00 O ATOM 233 CB GLN A 18 -3.655 -4.717 11.275 1.00 0.00 C ATOM 234 CG GLN A 18 -4.488 -5.281 12.427 1.00 0.00 C ATOM 235 CD GLN A 18 -5.756 -5.959 11.906 1.00 0.00 C ATOM 236 OE1 GLN A 18 -6.642 -5.332 11.349 1.00 0.00 O ATOM 237 NE2 GLN A 18 -5.794 -7.272 12.117 1.00 0.00 N ATOM 0 H GLN A 18 -1.370 -2.969 11.889 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.019 -5.824 12.076 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.890 -3.662 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.917 -5.228 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.894 -5.999 12.993 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.757 -4.478 13.113 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.018 -7.735 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.599 -7.815 11.806 1.00 0.00 H new ATOM 246 N THR A 19 -0.301 -5.727 10.266 1.00 0.00 N ATOM 247 CA THR A 19 0.546 -5.878 9.096 1.00 0.00 C ATOM 248 C THR A 19 0.021 -7.002 8.199 1.00 0.00 C ATOM 249 O THR A 19 -0.345 -8.070 8.687 1.00 0.00 O ATOM 250 CB THR A 19 1.981 -6.104 9.576 1.00 0.00 C ATOM 251 OG1 THR A 19 2.259 -4.967 10.387 1.00 0.00 O ATOM 252 CG2 THR A 19 3.001 -6.010 8.439 1.00 0.00 C ATOM 0 H THR A 19 -0.006 -6.269 11.079 1.00 0.00 H new ATOM 0 HA THR A 19 0.532 -4.979 8.480 1.00 0.00 H new ATOM 0 HB THR A 19 2.055 -7.083 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.170 -5.033 10.741 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.003 -6.178 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.777 -6.765 7.686 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.951 -5.020 7.986 1.00 0.00 H new ATOM 260 N ARG A 20 0.001 -6.722 6.904 1.00 0.00 N ATOM 261 CA ARG A 20 -0.472 -7.696 5.936 1.00 0.00 C ATOM 262 C ARG A 20 0.497 -7.786 4.756 1.00 0.00 C ATOM 263 O ARG A 20 0.737 -6.795 4.068 1.00 0.00 O ATOM 264 CB ARG A 20 -1.863 -7.325 5.417 1.00 0.00 C ATOM 265 CG ARG A 20 -2.957 -7.924 6.303 1.00 0.00 C ATOM 266 CD ARG A 20 -4.320 -7.308 5.983 1.00 0.00 C ATOM 267 NE ARG A 20 -5.377 -7.982 6.770 1.00 0.00 N ATOM 268 CZ ARG A 20 -5.659 -7.698 8.048 1.00 0.00 C ATOM 269 NH1 ARG A 20 -4.964 -6.751 8.693 1.00 0.00 N ATOM 270 NH2 ARG A 20 -6.636 -8.361 8.683 1.00 0.00 N ATOM 0 H ARG A 20 0.305 -5.835 6.503 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.529 -8.662 6.438 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.967 -6.240 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.981 -7.684 4.395 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.998 -9.003 6.156 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.714 -7.754 7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.309 -6.242 6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.531 -7.404 4.918 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.925 -8.709 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.220 -6.247 8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.179 -6.535 9.666 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.165 -9.082 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.850 -8.144 9.656 1.00 0.00 H new ATOM 284 N THR A 21 1.029 -8.983 4.558 1.00 0.00 N ATOM 285 CA THR A 21 1.967 -9.216 3.473 1.00 0.00 C ATOM 286 C THR A 21 1.218 -9.424 2.155 1.00 0.00 C ATOM 287 O THR A 21 0.219 -10.141 2.111 1.00 0.00 O ATOM 288 CB THR A 21 2.854 -10.400 3.861 1.00 0.00 C ATOM 289 OG1 THR A 21 3.980 -9.797 4.493 1.00 0.00 O ATOM 290 CG2 THR A 21 3.448 -11.111 2.643 1.00 0.00 C ATOM 0 H THR A 21 0.828 -9.803 5.131 1.00 0.00 H new ATOM 0 HA THR A 21 2.609 -8.350 3.312 1.00 0.00 H new ATOM 0 HB THR A 21 2.273 -11.111 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.607 -10.494 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.069 -11.943 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.642 -11.488 2.013 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.056 -10.409 2.073 1.00 0.00 H new ATOM 298 N PHE A 22 1.728 -8.784 1.113 1.00 0.00 N ATOM 299 CA PHE A 22 1.120 -8.890 -0.202 1.00 0.00 C ATOM 300 C PHE A 22 2.172 -9.198 -1.269 1.00 0.00 C ATOM 301 O PHE A 22 3.272 -8.650 -1.238 1.00 0.00 O ATOM 302 CB PHE A 22 0.481 -7.534 -0.510 1.00 0.00 C ATOM 303 CG PHE A 22 -0.769 -7.233 0.319 1.00 0.00 C ATOM 304 CD1 PHE A 22 -1.911 -7.942 0.110 1.00 0.00 C ATOM 305 CD2 PHE A 22 -0.739 -6.257 1.266 1.00 0.00 C ATOM 306 CE1 PHE A 22 -3.071 -7.663 0.880 1.00 0.00 C ATOM 307 CE2 PHE A 22 -1.900 -5.977 2.035 1.00 0.00 C ATOM 308 CZ PHE A 22 -3.041 -6.687 1.826 1.00 0.00 C ATOM 0 H PHE A 22 2.556 -8.190 1.153 1.00 0.00 H new ATOM 0 HA PHE A 22 0.387 -9.697 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.217 -6.749 -0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.220 -7.499 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.935 -8.717 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.168 -5.695 1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.977 -8.226 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.877 -5.201 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.923 -6.475 2.412 1.00 0.00 H new ATOM 318 N ILE A 23 1.796 -10.076 -2.188 1.00 0.00 N ATOM 319 CA ILE A 23 2.694 -10.464 -3.263 1.00 0.00 C ATOM 320 C ILE A 23 2.139 -9.952 -4.594 1.00 0.00 C ATOM 321 O ILE A 23 1.187 -10.516 -5.132 1.00 0.00 O ATOM 322 CB ILE A 23 2.938 -11.974 -3.238 1.00 0.00 C ATOM 323 CG1 ILE A 23 3.495 -12.417 -1.884 1.00 0.00 C ATOM 324 CG2 ILE A 23 3.840 -12.403 -4.397 1.00 0.00 C ATOM 325 CD1 ILE A 23 5.008 -12.197 -1.815 1.00 0.00 C ATOM 0 H ILE A 23 0.883 -10.529 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 23 3.673 -10.004 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 23 1.980 -12.477 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.006 -11.859 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.269 -13.471 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.998 -13.481 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.366 -12.141 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.800 -11.893 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.379 -12.520 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.496 -12.775 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.228 -11.139 -1.954 1.00 0.00 H new ATOM 337 N VAL A 24 2.759 -8.891 -5.088 1.00 0.00 N ATOM 338 CA VAL A 24 2.339 -8.297 -6.346 1.00 0.00 C ATOM 339 C VAL A 24 3.544 -8.192 -7.283 1.00 0.00 C ATOM 340 O VAL A 24 4.688 -8.287 -6.841 1.00 0.00 O ATOM 341 CB VAL A 24 1.663 -6.949 -6.089 1.00 0.00 C ATOM 342 CG1 VAL A 24 0.384 -7.124 -5.268 1.00 0.00 C ATOM 343 CG2 VAL A 24 2.624 -5.975 -5.404 1.00 0.00 C ATOM 0 H VAL A 24 3.549 -8.427 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 24 1.599 -8.928 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 24 1.386 -6.525 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.076 -6.150 -5.100 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.311 -7.765 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.627 -7.581 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.118 -5.025 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.946 -6.392 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.494 -5.814 -6.041 1.00 0.00 H new ATOM 353 N GLY A 25 3.246 -7.999 -8.559 1.00 0.00 N ATOM 354 CA GLY A 25 4.291 -7.881 -9.562 1.00 0.00 C ATOM 355 C GLY A 25 5.088 -6.589 -9.374 1.00 0.00 C ATOM 356 O GLY A 25 4.520 -5.497 -9.388 1.00 0.00 O ATOM 0 H GLY A 25 2.296 -7.921 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.961 -8.738 -9.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.848 -7.898 -10.558 1.00 0.00 H new ATOM 360 N ALA A 26 6.391 -6.755 -9.202 1.00 0.00 N ATOM 361 CA ALA A 26 7.272 -5.615 -9.011 1.00 0.00 C ATOM 362 C ALA A 26 6.885 -4.507 -9.992 1.00 0.00 C ATOM 363 O ALA A 26 6.887 -3.329 -9.637 1.00 0.00 O ATOM 364 CB ALA A 26 8.726 -6.060 -9.177 1.00 0.00 C ATOM 0 H ALA A 26 6.858 -7.662 -9.191 1.00 0.00 H new ATOM 0 HA ALA A 26 7.167 -5.214 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 26 9.387 -5.205 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.959 -6.826 -8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.870 -6.466 -10.178 1.00 0.00 H new ATOM 370 N GLN A 27 6.562 -4.923 -11.208 1.00 0.00 N ATOM 371 CA GLN A 27 6.174 -3.980 -12.243 1.00 0.00 C ATOM 372 C GLN A 27 4.986 -3.137 -11.775 1.00 0.00 C ATOM 373 O GLN A 27 4.967 -1.923 -11.970 1.00 0.00 O ATOM 374 CB GLN A 27 5.850 -4.705 -13.551 1.00 0.00 C ATOM 375 CG GLN A 27 7.105 -5.345 -14.148 1.00 0.00 C ATOM 376 CD GLN A 27 7.440 -4.731 -15.509 1.00 0.00 C ATOM 377 OE1 GLN A 27 6.632 -4.063 -16.133 1.00 0.00 O ATOM 378 NE2 GLN A 27 8.673 -4.993 -15.932 1.00 0.00 N ATOM 0 H GLN A 27 6.561 -5.900 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 27 7.015 -3.313 -12.434 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.098 -5.472 -13.369 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.422 -4.001 -14.265 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.945 -5.210 -13.467 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.953 -6.419 -14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.299 -5.559 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.993 -4.627 -16.829 1.00 0.00 H new ATOM 387 N MET A 28 4.024 -3.815 -11.167 1.00 0.00 N ATOM 388 CA MET A 28 2.835 -3.143 -10.669 1.00 0.00 C ATOM 389 C MET A 28 3.184 -1.772 -10.085 1.00 0.00 C ATOM 390 O MET A 28 4.262 -1.589 -9.522 1.00 0.00 O ATOM 391 CB MET A 28 2.176 -4.005 -9.590 1.00 0.00 C ATOM 392 CG MET A 28 0.880 -3.362 -9.092 1.00 0.00 C ATOM 393 SD MET A 28 0.149 -4.372 -7.814 1.00 0.00 S ATOM 394 CE MET A 28 -0.766 -5.529 -8.819 1.00 0.00 C ATOM 0 H MET A 28 4.043 -4.822 -11.008 1.00 0.00 H new ATOM 0 HA MET A 28 2.147 -2.998 -11.502 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.964 -4.996 -9.990 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.864 -4.139 -8.755 1.00 0.00 H new ATOM 0 HG2 MET A 28 1.085 -2.364 -8.705 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.180 -3.246 -9.920 1.00 0.00 H new ATOM 0 HE1 MET A 28 -1.287 -6.238 -8.175 1.00 0.00 H new ATOM 0 HE2 MET A 28 -1.492 -4.989 -9.426 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.078 -6.068 -9.470 1.00 0.00 H new ATOM 404 N ASN A 29 2.251 -0.844 -10.241 1.00 0.00 N ATOM 405 CA ASN A 29 2.446 0.504 -9.736 1.00 0.00 C ATOM 406 C ASN A 29 1.791 0.629 -8.359 1.00 0.00 C ATOM 407 O ASN A 29 1.181 -0.320 -7.870 1.00 0.00 O ATOM 408 CB ASN A 29 1.801 1.537 -10.662 1.00 0.00 C ATOM 409 CG ASN A 29 0.408 1.083 -11.104 1.00 0.00 C ATOM 410 OD1 ASN A 29 0.191 -0.055 -11.488 1.00 0.00 O ATOM 411 ND2 ASN A 29 -0.520 2.033 -11.030 1.00 0.00 N ATOM 0 H ASN A 29 1.358 -0.999 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 29 3.518 0.690 -9.678 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.729 2.496 -10.149 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.432 1.690 -11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.481 1.829 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.270 2.965 -10.699 1.00 0.00 H new ATOM 418 N VAL A 30 1.941 1.807 -7.772 1.00 0.00 N ATOM 419 CA VAL A 30 1.372 2.068 -6.461 1.00 0.00 C ATOM 420 C VAL A 30 -0.153 1.972 -6.543 1.00 0.00 C ATOM 421 O VAL A 30 -0.769 1.183 -5.828 1.00 0.00 O ATOM 422 CB VAL A 30 1.858 3.422 -5.939 1.00 0.00 C ATOM 423 CG1 VAL A 30 0.904 3.975 -4.878 1.00 0.00 C ATOM 424 CG2 VAL A 30 3.284 3.319 -5.395 1.00 0.00 C ATOM 0 H VAL A 30 2.449 2.592 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 30 1.707 1.319 -5.744 1.00 0.00 H new ATOM 0 HB VAL A 30 1.868 4.120 -6.776 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.272 4.938 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.088 4.103 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.847 3.278 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.606 4.295 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.310 2.599 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.954 2.990 -6.190 1.00 0.00 H new ATOM 434 N LYS A 31 -0.719 2.785 -7.423 1.00 0.00 N ATOM 435 CA LYS A 31 -2.160 2.802 -7.608 1.00 0.00 C ATOM 436 C LYS A 31 -2.679 1.364 -7.663 1.00 0.00 C ATOM 437 O LYS A 31 -3.444 0.943 -6.796 1.00 0.00 O ATOM 438 CB LYS A 31 -2.533 3.637 -8.835 1.00 0.00 C ATOM 439 CG LYS A 31 -3.929 3.271 -9.344 1.00 0.00 C ATOM 440 CD LYS A 31 -4.738 4.526 -9.674 1.00 0.00 C ATOM 441 CE LYS A 31 -5.551 4.333 -10.956 1.00 0.00 C ATOM 442 NZ LYS A 31 -5.293 5.439 -11.905 1.00 0.00 N ATOM 0 H LYS A 31 -0.205 3.437 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.647 3.286 -6.761 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.501 4.697 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.800 3.476 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.844 2.645 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.453 2.684 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.408 4.759 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.066 5.376 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.291 3.381 -11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.614 4.292 -10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.852 5.292 -12.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.563 6.343 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.282 5.460 -12.147 1.00 0.00 H new ATOM 456 N GLU A 32 -2.243 0.649 -8.690 1.00 0.00 N ATOM 457 CA GLU A 32 -2.654 -0.733 -8.869 1.00 0.00 C ATOM 458 C GLU A 32 -2.638 -1.469 -7.527 1.00 0.00 C ATOM 459 O GLU A 32 -3.666 -1.974 -7.080 1.00 0.00 O ATOM 460 CB GLU A 32 -1.766 -1.441 -9.894 1.00 0.00 C ATOM 461 CG GLU A 32 -2.261 -1.182 -11.319 1.00 0.00 C ATOM 462 CD GLU A 32 -1.633 -2.170 -12.304 1.00 0.00 C ATOM 463 OE1 GLU A 32 -1.991 -3.365 -12.215 1.00 0.00 O ATOM 464 OE2 GLU A 32 -0.811 -1.709 -13.125 1.00 0.00 O ATOM 0 H GLU A 32 -1.609 1.001 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.674 -0.742 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.738 -1.092 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.760 -2.513 -9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.347 -1.270 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.014 -0.162 -11.614 1.00 0.00 H new ATOM 471 N PHE A 33 -1.459 -1.507 -6.924 1.00 0.00 N ATOM 472 CA PHE A 33 -1.295 -2.173 -5.643 1.00 0.00 C ATOM 473 C PHE A 33 -2.424 -1.797 -4.681 1.00 0.00 C ATOM 474 O PHE A 33 -2.936 -2.648 -3.956 1.00 0.00 O ATOM 475 CB PHE A 33 0.036 -1.698 -5.058 1.00 0.00 C ATOM 476 CG PHE A 33 0.457 -2.437 -3.787 1.00 0.00 C ATOM 477 CD1 PHE A 33 0.714 -3.772 -3.830 1.00 0.00 C ATOM 478 CD2 PHE A 33 0.574 -1.759 -2.613 1.00 0.00 C ATOM 479 CE1 PHE A 33 1.105 -4.458 -2.650 1.00 0.00 C ATOM 480 CE2 PHE A 33 0.964 -2.446 -1.433 1.00 0.00 C ATOM 481 CZ PHE A 33 1.222 -3.781 -1.476 1.00 0.00 C ATOM 0 H PHE A 33 -0.608 -1.087 -7.299 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.316 -3.254 -5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.815 -1.818 -5.811 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.035 -0.632 -4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.621 -4.310 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.370 -0.699 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.310 -5.518 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.056 -1.908 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.520 -4.303 -0.579 1.00 0.00 H new ATOM 491 N LYS A 34 -2.779 -0.521 -4.706 1.00 0.00 N ATOM 492 CA LYS A 34 -3.838 -0.021 -3.845 1.00 0.00 C ATOM 493 C LYS A 34 -5.165 -0.668 -4.248 1.00 0.00 C ATOM 494 O LYS A 34 -6.006 -0.950 -3.397 1.00 0.00 O ATOM 495 CB LYS A 34 -3.868 1.508 -3.865 1.00 0.00 C ATOM 496 CG LYS A 34 -2.573 2.090 -3.294 1.00 0.00 C ATOM 497 CD LYS A 34 -2.782 3.529 -2.819 1.00 0.00 C ATOM 498 CE LYS A 34 -1.692 4.451 -3.369 1.00 0.00 C ATOM 499 NZ LYS A 34 -1.926 5.847 -2.934 1.00 0.00 N ATOM 0 H LYS A 34 -2.352 0.182 -5.309 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.649 -0.299 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.009 1.859 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.719 1.866 -3.285 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.229 1.475 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.792 2.064 -4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.761 3.884 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.775 3.561 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.714 4.115 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.680 4.400 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.713 6.495 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.920 5.961 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.310 6.067 -2.126 1.00 0.00 H new ATOM 513 N GLU A 35 -5.310 -0.884 -5.547 1.00 0.00 N ATOM 514 CA GLU A 35 -6.520 -1.493 -6.074 1.00 0.00 C ATOM 515 C GLU A 35 -6.574 -2.976 -5.703 1.00 0.00 C ATOM 516 O GLU A 35 -7.648 -3.518 -5.450 1.00 0.00 O ATOM 517 CB GLU A 35 -6.615 -1.303 -7.589 1.00 0.00 C ATOM 518 CG GLU A 35 -6.722 0.180 -7.950 1.00 0.00 C ATOM 519 CD GLU A 35 -7.228 0.361 -9.383 1.00 0.00 C ATOM 520 OE1 GLU A 35 -6.573 -0.197 -10.290 1.00 0.00 O ATOM 521 OE2 GLU A 35 -8.258 1.052 -9.539 1.00 0.00 O ATOM 0 H GLU A 35 -4.610 -0.648 -6.250 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.379 -0.995 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.737 -1.735 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.484 -1.838 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.398 0.679 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.747 0.655 -7.842 1.00 0.00 H new ATOM 528 N HIS A 36 -5.400 -3.590 -5.682 1.00 0.00 N ATOM 529 CA HIS A 36 -5.299 -5.000 -5.346 1.00 0.00 C ATOM 530 C HIS A 36 -5.671 -5.206 -3.876 1.00 0.00 C ATOM 531 O HIS A 36 -6.572 -5.982 -3.563 1.00 0.00 O ATOM 532 CB HIS A 36 -3.910 -5.542 -5.687 1.00 0.00 C ATOM 533 CG HIS A 36 -3.675 -6.962 -5.230 1.00 0.00 C ATOM 534 ND1 HIS A 36 -4.467 -8.022 -5.638 1.00 0.00 N ATOM 535 CD2 HIS A 36 -2.730 -7.486 -4.398 1.00 0.00 C ATOM 536 CE1 HIS A 36 -4.010 -9.128 -5.070 1.00 0.00 C ATOM 537 NE2 HIS A 36 -2.934 -8.794 -4.301 1.00 0.00 N ATOM 0 H HIS A 36 -4.511 -3.137 -5.892 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.006 -5.572 -5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.766 -5.490 -6.766 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -3.158 -4.896 -5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.948 -6.931 -3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.418 -10.120 -5.194 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.378 -9.442 -3.743 1.00 0.00 H new ATOM 545 N ILE A 37 -4.958 -4.496 -3.014 1.00 0.00 N ATOM 546 CA ILE A 37 -5.202 -4.591 -1.585 1.00 0.00 C ATOM 547 C ILE A 37 -6.565 -3.975 -1.262 1.00 0.00 C ATOM 548 O ILE A 37 -7.242 -4.410 -0.332 1.00 0.00 O ATOM 549 CB ILE A 37 -4.045 -3.967 -0.801 1.00 0.00 C ATOM 550 CG1 ILE A 37 -4.082 -2.440 -0.892 1.00 0.00 C ATOM 551 CG2 ILE A 37 -2.701 -4.536 -1.261 1.00 0.00 C ATOM 552 CD1 ILE A 37 -3.167 -1.806 0.157 1.00 0.00 C ATOM 0 H ILE A 37 -4.212 -3.853 -3.278 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.242 -5.635 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.163 -4.230 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.773 -2.124 -1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.104 -2.088 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.896 -4.076 -0.688 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.689 -5.614 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.559 -4.324 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.212 -0.720 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.494 -2.105 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.142 -2.141 -0.004 1.00 0.00 H new ATOM 564 N ALA A 38 -6.928 -2.974 -2.050 1.00 0.00 N ATOM 565 CA ALA A 38 -8.198 -2.294 -1.860 1.00 0.00 C ATOM 566 C ALA A 38 -9.279 -3.326 -1.531 1.00 0.00 C ATOM 567 O ALA A 38 -10.203 -3.041 -0.771 1.00 0.00 O ATOM 568 CB ALA A 38 -8.533 -1.478 -3.110 1.00 0.00 C ATOM 0 H ALA A 38 -6.365 -2.617 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.139 -1.598 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.486 -0.968 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.749 -0.741 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.603 -2.143 -3.971 1.00 0.00 H new ATOM 574 N ALA A 39 -9.126 -4.504 -2.118 1.00 0.00 N ATOM 575 CA ALA A 39 -10.078 -5.579 -1.897 1.00 0.00 C ATOM 576 C ALA A 39 -9.952 -6.077 -0.456 1.00 0.00 C ATOM 577 O ALA A 39 -10.927 -6.070 0.294 1.00 0.00 O ATOM 578 CB ALA A 39 -9.839 -6.691 -2.921 1.00 0.00 C ATOM 0 H ALA A 39 -8.357 -4.737 -2.746 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.099 -5.222 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.553 -7.498 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.968 -6.293 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.825 -7.076 -2.810 1.00 0.00 H new ATOM 584 N SER A 40 -8.744 -6.497 -0.112 1.00 0.00 N ATOM 585 CA SER A 40 -8.478 -6.997 1.227 1.00 0.00 C ATOM 586 C SER A 40 -8.864 -5.942 2.266 1.00 0.00 C ATOM 587 O SER A 40 -9.748 -6.172 3.089 1.00 0.00 O ATOM 588 CB SER A 40 -7.007 -7.387 1.387 1.00 0.00 C ATOM 589 OG SER A 40 -6.790 -8.770 1.124 1.00 0.00 O ATOM 0 H SER A 40 -7.938 -6.502 -0.737 1.00 0.00 H new ATOM 0 HA SER A 40 -9.082 -7.891 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.398 -6.789 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.678 -7.155 2.400 1.00 0.00 H new ATOM 0 HG SER A 40 -5.839 -8.979 1.235 1.00 0.00 H new ATOM 595 N VAL A 41 -8.182 -4.809 2.193 1.00 0.00 N ATOM 596 CA VAL A 41 -8.442 -3.718 3.117 1.00 0.00 C ATOM 597 C VAL A 41 -9.891 -3.254 2.956 1.00 0.00 C ATOM 598 O VAL A 41 -10.521 -2.829 3.923 1.00 0.00 O ATOM 599 CB VAL A 41 -7.427 -2.594 2.898 1.00 0.00 C ATOM 600 CG1 VAL A 41 -6.034 -3.013 3.374 1.00 0.00 C ATOM 601 CG2 VAL A 41 -7.398 -2.159 1.432 1.00 0.00 C ATOM 0 H VAL A 41 -7.449 -4.623 1.508 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.320 -4.052 4.147 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.741 -1.738 3.495 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.332 -2.196 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.069 -3.250 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.708 -3.891 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.668 -1.359 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.120 -3.007 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.385 -1.800 1.139 1.00 0.00 H new ATOM 611 N SER A 42 -10.378 -3.353 1.728 1.00 0.00 N ATOM 612 CA SER A 42 -11.741 -2.949 1.429 1.00 0.00 C ATOM 613 C SER A 42 -11.823 -1.425 1.314 1.00 0.00 C ATOM 614 O SER A 42 -12.912 -0.855 1.335 1.00 0.00 O ATOM 615 CB SER A 42 -12.712 -3.453 2.498 1.00 0.00 C ATOM 616 OG SER A 42 -13.807 -4.168 1.931 1.00 0.00 O ATOM 0 H SER A 42 -9.853 -3.707 0.928 1.00 0.00 H new ATOM 0 HA SER A 42 -12.028 -3.395 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.179 -4.099 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.090 -2.607 3.072 1.00 0.00 H new ATOM 0 HG SER A 42 -14.403 -4.475 2.646 1.00 0.00 H new ATOM 622 N ILE A 43 -10.655 -0.810 1.196 1.00 0.00 N ATOM 623 CA ILE A 43 -10.581 0.637 1.078 1.00 0.00 C ATOM 624 C ILE A 43 -10.220 1.009 -0.361 1.00 0.00 C ATOM 625 O ILE A 43 -9.403 0.340 -0.993 1.00 0.00 O ATOM 626 CB ILE A 43 -9.619 1.210 2.121 1.00 0.00 C ATOM 627 CG1 ILE A 43 -10.031 0.793 3.535 1.00 0.00 C ATOM 628 CG2 ILE A 43 -9.503 2.730 1.983 1.00 0.00 C ATOM 629 CD1 ILE A 43 -8.969 1.202 4.558 1.00 0.00 C ATOM 0 H ILE A 43 -9.753 -1.286 1.180 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.551 1.087 1.290 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.629 0.793 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.985 1.255 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.179 -0.286 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.814 3.112 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.129 2.978 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.484 3.184 2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.286 0.894 5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.023 0.719 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.841 2.284 4.536 1.00 0.00 H new ATOM 641 N PRO A 44 -10.862 2.103 -0.850 1.00 0.00 N ATOM 642 CA PRO A 44 -10.618 2.572 -2.203 1.00 0.00 C ATOM 643 C PRO A 44 -9.265 3.280 -2.302 1.00 0.00 C ATOM 644 O PRO A 44 -8.852 3.971 -1.371 1.00 0.00 O ATOM 645 CB PRO A 44 -11.790 3.486 -2.521 1.00 0.00 C ATOM 646 CG PRO A 44 -12.401 3.861 -1.181 1.00 0.00 C ATOM 647 CD PRO A 44 -11.836 2.920 -0.130 1.00 0.00 C ATOM 0 HA PRO A 44 -10.558 1.758 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.458 4.373 -3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.519 2.981 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.167 4.896 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.487 3.780 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.366 3.472 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -12.619 2.305 0.313 1.00 0.00 H new ATOM 655 N SER A 45 -8.612 3.084 -3.438 1.00 0.00 N ATOM 656 CA SER A 45 -7.314 3.695 -3.670 1.00 0.00 C ATOM 657 C SER A 45 -7.411 5.212 -3.497 1.00 0.00 C ATOM 658 O SER A 45 -6.552 5.824 -2.864 1.00 0.00 O ATOM 659 CB SER A 45 -6.786 3.353 -5.065 1.00 0.00 C ATOM 660 OG SER A 45 -7.324 4.213 -6.065 1.00 0.00 O ATOM 0 H SER A 45 -8.957 2.511 -4.208 1.00 0.00 H new ATOM 0 HA SER A 45 -6.613 3.296 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.699 3.428 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.035 2.319 -5.304 1.00 0.00 H new ATOM 0 HG SER A 45 -6.961 3.964 -6.941 1.00 0.00 H new ATOM 666 N GLU A 46 -8.465 5.775 -4.070 1.00 0.00 N ATOM 667 CA GLU A 46 -8.685 7.209 -3.986 1.00 0.00 C ATOM 668 C GLU A 46 -8.720 7.656 -2.524 1.00 0.00 C ATOM 669 O GLU A 46 -8.533 8.835 -2.227 1.00 0.00 O ATOM 670 CB GLU A 46 -9.971 7.609 -4.713 1.00 0.00 C ATOM 671 CG GLU A 46 -11.193 7.415 -3.813 1.00 0.00 C ATOM 672 CD GLU A 46 -12.402 6.944 -4.623 1.00 0.00 C ATOM 673 OE1 GLU A 46 -12.170 6.257 -5.642 1.00 0.00 O ATOM 674 OE2 GLU A 46 -13.531 7.280 -4.206 1.00 0.00 O ATOM 0 H GLU A 46 -9.176 5.264 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.855 7.714 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.907 8.651 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.083 7.011 -5.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.965 6.685 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.431 8.352 -3.310 1.00 0.00 H new ATOM 681 N LYS A 47 -8.962 6.691 -1.649 1.00 0.00 N ATOM 682 CA LYS A 47 -9.024 6.971 -0.224 1.00 0.00 C ATOM 683 C LYS A 47 -7.704 6.557 0.431 1.00 0.00 C ATOM 684 O LYS A 47 -7.328 7.094 1.471 1.00 0.00 O ATOM 685 CB LYS A 47 -10.254 6.309 0.399 1.00 0.00 C ATOM 686 CG LYS A 47 -11.495 7.188 0.230 1.00 0.00 C ATOM 687 CD LYS A 47 -12.705 6.570 0.934 1.00 0.00 C ATOM 688 CE LYS A 47 -13.158 7.438 2.109 1.00 0.00 C ATOM 689 NZ LYS A 47 -13.872 8.639 1.622 1.00 0.00 N ATOM 0 H LYS A 47 -9.117 5.714 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.144 8.040 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.425 5.339 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.075 6.126 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.300 8.180 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.713 7.316 -0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.524 6.456 0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.452 5.572 1.291 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.810 6.861 2.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.294 7.737 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.172 9.217 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.238 9.197 1.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.708 8.348 1.076 1.00 0.00 H new ATOM 703 N GLN A 48 -7.038 5.605 -0.206 1.00 0.00 N ATOM 704 CA GLN A 48 -5.769 5.112 0.302 1.00 0.00 C ATOM 705 C GLN A 48 -4.678 6.170 0.120 1.00 0.00 C ATOM 706 O GLN A 48 -4.896 7.184 -0.541 1.00 0.00 O ATOM 707 CB GLN A 48 -5.378 3.799 -0.379 1.00 0.00 C ATOM 708 CG GLN A 48 -6.290 2.656 0.071 1.00 0.00 C ATOM 709 CD GLN A 48 -5.742 1.304 -0.391 1.00 0.00 C ATOM 710 OE1 GLN A 48 -4.570 0.997 -0.244 1.00 0.00 O ATOM 711 NE2 GLN A 48 -6.652 0.515 -0.955 1.00 0.00 N ATOM 0 H GLN A 48 -7.353 5.162 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.880 4.911 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.440 3.914 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.342 3.557 -0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.380 2.664 1.157 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -7.291 2.804 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.617 0.834 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.385 -0.409 -1.295 1.00 0.00 H new ATOM 720 N ARG A 49 -3.528 5.897 0.719 1.00 0.00 N ATOM 721 CA ARG A 49 -2.403 6.812 0.631 1.00 0.00 C ATOM 722 C ARG A 49 -1.149 6.171 1.229 1.00 0.00 C ATOM 723 O ARG A 49 -0.747 6.505 2.343 1.00 0.00 O ATOM 724 CB ARG A 49 -2.699 8.120 1.367 1.00 0.00 C ATOM 725 CG ARG A 49 -1.517 9.087 1.264 1.00 0.00 C ATOM 726 CD ARG A 49 -1.739 10.320 2.142 1.00 0.00 C ATOM 727 NE ARG A 49 -0.610 11.264 1.984 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.690 12.578 2.231 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.846 13.112 2.649 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.385 13.359 2.059 1.00 0.00 N ATOM 0 H ARG A 49 -3.351 5.055 1.267 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.235 7.031 -0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.591 8.584 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.912 7.911 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.601 8.580 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.383 9.394 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.674 10.809 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.831 10.021 3.186 1.00 0.00 H new ATOM 0 HE ARG A 49 0.285 10.891 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.665 12.518 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.907 14.113 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.265 12.953 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.324 14.360 2.247 1.00 0.00 H new ATOM 744 N LEU A 50 -0.566 5.261 0.463 1.00 0.00 N ATOM 745 CA LEU A 50 0.634 4.570 0.903 1.00 0.00 C ATOM 746 C LEU A 50 1.724 5.597 1.215 1.00 0.00 C ATOM 747 O LEU A 50 1.983 6.495 0.415 1.00 0.00 O ATOM 748 CB LEU A 50 1.056 3.520 -0.127 1.00 0.00 C ATOM 749 CG LEU A 50 -0.057 2.610 -0.651 1.00 0.00 C ATOM 750 CD1 LEU A 50 0.508 1.532 -1.579 1.00 0.00 C ATOM 751 CD2 LEU A 50 -0.863 2.008 0.502 1.00 0.00 C ATOM 0 H LEU A 50 -0.902 4.986 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 50 0.440 4.020 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.508 4.033 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.831 2.895 0.317 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.744 3.216 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.304 0.899 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.001 2.005 -2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.229 0.923 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.647 1.366 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.203 1.420 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.314 2.809 1.088 1.00 0.00 H new ATOM 763 N ILE A 51 2.333 5.431 2.379 1.00 0.00 N ATOM 764 CA ILE A 51 3.389 6.333 2.807 1.00 0.00 C ATOM 765 C ILE A 51 4.561 5.516 3.354 1.00 0.00 C ATOM 766 O ILE A 51 4.377 4.660 4.217 1.00 0.00 O ATOM 767 CB ILE A 51 2.844 7.365 3.796 1.00 0.00 C ATOM 768 CG1 ILE A 51 1.764 8.232 3.145 1.00 0.00 C ATOM 769 CG2 ILE A 51 3.976 8.209 4.388 1.00 0.00 C ATOM 770 CD1 ILE A 51 0.687 8.619 4.160 1.00 0.00 C ATOM 0 H ILE A 51 2.116 4.685 3.040 1.00 0.00 H new ATOM 0 HA ILE A 51 3.767 6.906 1.960 1.00 0.00 H new ATOM 0 HB ILE A 51 2.374 6.831 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.217 9.132 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.309 7.691 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.561 8.935 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.678 7.560 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.496 8.734 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.068 9.235 3.672 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.220 7.717 4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.141 9.181 4.976 1.00 0.00 H new ATOM 782 N TYR A 52 5.742 5.810 2.829 1.00 0.00 N ATOM 783 CA TYR A 52 6.944 5.113 3.254 1.00 0.00 C ATOM 784 C TYR A 52 8.090 6.097 3.498 1.00 0.00 C ATOM 785 O TYR A 52 8.482 6.836 2.596 1.00 0.00 O ATOM 786 CB TYR A 52 7.323 4.184 2.099 1.00 0.00 C ATOM 787 CG TYR A 52 8.470 3.224 2.423 1.00 0.00 C ATOM 788 CD1 TYR A 52 8.256 2.152 3.266 1.00 0.00 C ATOM 789 CD2 TYR A 52 9.719 3.431 1.874 1.00 0.00 C ATOM 790 CE1 TYR A 52 9.335 1.249 3.571 1.00 0.00 C ATOM 791 CE2 TYR A 52 10.798 2.528 2.179 1.00 0.00 C ATOM 792 CZ TYR A 52 10.553 1.482 3.013 1.00 0.00 C ATOM 793 OH TYR A 52 11.573 0.629 3.301 1.00 0.00 O ATOM 0 H TYR A 52 5.892 6.521 2.113 1.00 0.00 H new ATOM 0 HA TYR A 52 6.767 4.573 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 52 6.447 3.603 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.602 4.789 1.236 1.00 0.00 H new ATOM 0 HD1 TYR A 52 7.279 1.991 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.887 4.270 1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.181 0.406 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.780 2.678 1.755 1.00 0.00 H new ATOM 0 HH TYR A 52 12.383 0.918 2.832 1.00 0.00 H new ATOM 803 N GLN A 53 8.596 6.075 4.723 1.00 0.00 N ATOM 804 CA GLN A 53 9.689 6.955 5.097 1.00 0.00 C ATOM 805 C GLN A 53 9.145 8.301 5.582 1.00 0.00 C ATOM 806 O GLN A 53 9.695 8.902 6.503 1.00 0.00 O ATOM 807 CB GLN A 53 10.664 7.145 3.934 1.00 0.00 C ATOM 808 CG GLN A 53 10.892 5.827 3.189 1.00 0.00 C ATOM 809 CD GLN A 53 12.373 5.442 3.197 1.00 0.00 C ATOM 810 OE1 GLN A 53 13.243 6.213 2.827 1.00 0.00 O ATOM 811 NE2 GLN A 53 12.609 4.210 3.639 1.00 0.00 N ATOM 0 H GLN A 53 8.268 5.461 5.469 1.00 0.00 H new ATOM 0 HA GLN A 53 10.239 6.491 5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.273 7.893 3.245 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.615 7.524 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.304 5.036 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.543 5.921 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.833 3.617 3.934 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.566 3.859 3.683 1.00 0.00 H new ATOM 820 N GLY A 54 8.070 8.734 4.939 1.00 0.00 N ATOM 821 CA GLY A 54 7.446 9.998 5.292 1.00 0.00 C ATOM 822 C GLY A 54 6.855 10.681 4.058 1.00 0.00 C ATOM 823 O GLY A 54 6.028 11.584 4.180 1.00 0.00 O ATOM 0 H GLY A 54 7.616 8.232 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.661 9.827 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.182 10.654 5.757 1.00 0.00 H new ATOM 827 N ARG A 55 7.302 10.225 2.897 1.00 0.00 N ATOM 828 CA ARG A 55 6.828 10.781 1.641 1.00 0.00 C ATOM 829 C ARG A 55 5.727 9.897 1.051 1.00 0.00 C ATOM 830 O ARG A 55 5.864 8.676 1.005 1.00 0.00 O ATOM 831 CB ARG A 55 7.968 10.908 0.629 1.00 0.00 C ATOM 832 CG ARG A 55 8.161 12.364 0.200 1.00 0.00 C ATOM 833 CD ARG A 55 8.669 12.448 -1.241 1.00 0.00 C ATOM 834 NE ARG A 55 10.010 13.072 -1.270 1.00 0.00 N ATOM 835 CZ ARG A 55 10.776 13.157 -2.366 1.00 0.00 C ATOM 836 NH1 ARG A 55 10.338 12.657 -3.529 1.00 0.00 N ATOM 837 NH2 ARG A 55 11.980 13.741 -2.299 1.00 0.00 N ATOM 0 H ARG A 55 7.988 9.476 2.800 1.00 0.00 H new ATOM 0 HA ARG A 55 6.429 11.774 1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.891 10.529 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 7.753 10.293 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.217 12.901 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 55 8.870 12.853 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.714 11.450 -1.678 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.975 13.031 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 55 10.374 13.462 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.422 12.212 -3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.921 12.721 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.314 14.121 -1.413 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.563 13.805 -3.134 1.00 0.00 H new ATOM 851 N VAL A 56 4.659 10.549 0.614 1.00 0.00 N ATOM 852 CA VAL A 56 3.536 9.838 0.029 1.00 0.00 C ATOM 853 C VAL A 56 3.995 9.128 -1.246 1.00 0.00 C ATOM 854 O VAL A 56 4.707 9.710 -2.063 1.00 0.00 O ATOM 855 CB VAL A 56 2.373 10.803 -0.211 1.00 0.00 C ATOM 856 CG1 VAL A 56 2.639 11.691 -1.428 1.00 0.00 C ATOM 857 CG2 VAL A 56 1.053 10.044 -0.363 1.00 0.00 C ATOM 0 H VAL A 56 4.548 11.562 0.654 1.00 0.00 H new ATOM 0 HA VAL A 56 3.171 9.073 0.714 1.00 0.00 H new ATOM 0 HB VAL A 56 2.289 11.449 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.797 12.367 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.546 12.272 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.763 11.067 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.243 10.753 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.121 9.362 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.853 9.476 0.545 1.00 0.00 H new ATOM 867 N LEU A 57 3.570 7.880 -1.377 1.00 0.00 N ATOM 868 CA LEU A 57 3.929 7.084 -2.538 1.00 0.00 C ATOM 869 C LEU A 57 3.082 7.524 -3.734 1.00 0.00 C ATOM 870 O LEU A 57 1.855 7.560 -3.651 1.00 0.00 O ATOM 871 CB LEU A 57 3.817 5.592 -2.221 1.00 0.00 C ATOM 872 CG LEU A 57 4.623 5.099 -1.017 1.00 0.00 C ATOM 873 CD1 LEU A 57 4.023 3.813 -0.445 1.00 0.00 C ATOM 874 CD2 LEU A 57 6.100 4.932 -1.378 1.00 0.00 C ATOM 0 H LEU A 57 2.980 7.400 -0.697 1.00 0.00 H new ATOM 0 HA LEU A 57 4.972 7.251 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.767 5.355 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.133 5.030 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 57 4.567 5.856 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.615 3.484 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.998 4.000 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.029 3.037 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.650 4.581 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.197 4.206 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.506 5.890 -1.702 1.00 0.00 H new ATOM 886 N GLN A 58 3.770 7.848 -4.819 1.00 0.00 N ATOM 887 CA GLN A 58 3.097 8.284 -6.030 1.00 0.00 C ATOM 888 C GLN A 58 2.402 7.101 -6.706 1.00 0.00 C ATOM 889 O GLN A 58 2.970 6.014 -6.800 1.00 0.00 O ATOM 890 CB GLN A 58 4.077 8.965 -6.988 1.00 0.00 C ATOM 891 CG GLN A 58 3.616 10.384 -7.326 1.00 0.00 C ATOM 892 CD GLN A 58 2.119 10.415 -7.639 1.00 0.00 C ATOM 893 OE1 GLN A 58 1.620 9.693 -8.486 1.00 0.00 O ATOM 894 NE2 GLN A 58 1.432 11.289 -6.909 1.00 0.00 N ATOM 0 H GLN A 58 4.787 7.817 -4.884 1.00 0.00 H new ATOM 0 HA GLN A 58 2.339 9.018 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.069 8.999 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.163 8.379 -7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.830 11.049 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.178 10.758 -8.182 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.912 11.863 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.425 11.385 -7.042 1.00 0.00 H new ATOM 903 N ASP A 59 1.183 7.352 -7.161 1.00 0.00 N ATOM 904 CA ASP A 59 0.405 6.321 -7.826 1.00 0.00 C ATOM 905 C ASP A 59 1.140 5.868 -9.089 1.00 0.00 C ATOM 906 O ASP A 59 1.229 4.672 -9.364 1.00 0.00 O ATOM 907 CB ASP A 59 -0.969 6.850 -8.242 1.00 0.00 C ATOM 908 CG ASP A 59 -0.996 8.323 -8.655 1.00 0.00 C ATOM 909 OD1 ASP A 59 -0.767 8.580 -9.857 1.00 0.00 O ATOM 910 OD2 ASP A 59 -1.246 9.159 -7.760 1.00 0.00 O ATOM 0 H ASP A 59 0.715 8.255 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 59 0.276 5.493 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.337 6.248 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.663 6.708 -7.413 1.00 0.00 H new ATOM 915 N ASP A 60 1.648 6.847 -9.822 1.00 0.00 N ATOM 916 CA ASP A 60 2.373 6.564 -11.050 1.00 0.00 C ATOM 917 C ASP A 60 3.626 5.751 -10.721 1.00 0.00 C ATOM 918 O ASP A 60 4.081 4.948 -11.534 1.00 0.00 O ATOM 919 CB ASP A 60 2.815 7.856 -11.739 1.00 0.00 C ATOM 920 CG ASP A 60 2.213 8.088 -13.126 1.00 0.00 C ATOM 921 OD1 ASP A 60 1.036 7.708 -13.305 1.00 0.00 O ATOM 922 OD2 ASP A 60 2.944 8.640 -13.977 1.00 0.00 O ATOM 0 H ASP A 60 1.572 7.837 -9.590 1.00 0.00 H new ATOM 0 HA ASP A 60 1.709 6.011 -11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.552 8.699 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.901 7.849 -11.827 1.00 0.00 H new ATOM 927 N LYS A 61 4.149 5.986 -9.526 1.00 0.00 N ATOM 928 CA LYS A 61 5.341 5.286 -9.080 1.00 0.00 C ATOM 929 C LYS A 61 5.004 3.812 -8.847 1.00 0.00 C ATOM 930 O LYS A 61 3.833 3.434 -8.832 1.00 0.00 O ATOM 931 CB LYS A 61 5.944 5.979 -7.856 1.00 0.00 C ATOM 932 CG LYS A 61 7.068 6.933 -8.265 1.00 0.00 C ATOM 933 CD LYS A 61 8.439 6.321 -7.975 1.00 0.00 C ATOM 934 CE LYS A 61 9.555 7.142 -8.624 1.00 0.00 C ATOM 935 NZ LYS A 61 9.708 6.774 -10.049 1.00 0.00 N ATOM 0 H LYS A 61 3.769 6.652 -8.853 1.00 0.00 H new ATOM 0 HA LYS A 61 6.112 5.320 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.167 6.532 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.331 5.231 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.986 7.163 -9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.965 7.875 -7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.599 6.272 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.471 5.298 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.329 8.205 -8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.493 6.973 -8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.014 7.607 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.420 6.021 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.797 6.435 -10.420 1.00 0.00 H new ATOM 949 N LYS A 62 6.051 3.019 -8.671 1.00 0.00 N ATOM 950 CA LYS A 62 5.880 1.595 -8.439 1.00 0.00 C ATOM 951 C LYS A 62 6.492 1.225 -7.086 1.00 0.00 C ATOM 952 O LYS A 62 7.377 1.921 -6.591 1.00 0.00 O ATOM 953 CB LYS A 62 6.446 0.790 -9.611 1.00 0.00 C ATOM 954 CG LYS A 62 5.908 1.311 -10.945 1.00 0.00 C ATOM 955 CD LYS A 62 6.898 1.039 -12.079 1.00 0.00 C ATOM 956 CE LYS A 62 6.170 0.871 -13.414 1.00 0.00 C ATOM 957 NZ LYS A 62 7.086 1.151 -14.543 1.00 0.00 N ATOM 0 H LYS A 62 7.020 3.336 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 62 4.821 1.342 -8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.534 0.850 -9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.184 -0.262 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.954 0.833 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.719 2.382 -10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.610 1.861 -12.150 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.472 0.139 -11.858 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.780 -0.144 -13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.315 1.545 -13.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.576 1.032 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.438 2.127 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.889 0.490 -14.511 1.00 0.00 H new ATOM 971 N LEU A 63 5.996 0.131 -6.527 1.00 0.00 N ATOM 972 CA LEU A 63 6.483 -0.339 -5.241 1.00 0.00 C ATOM 973 C LEU A 63 7.989 -0.589 -5.332 1.00 0.00 C ATOM 974 O LEU A 63 8.769 0.027 -4.608 1.00 0.00 O ATOM 975 CB LEU A 63 5.683 -1.559 -4.779 1.00 0.00 C ATOM 976 CG LEU A 63 4.207 -1.585 -5.181 1.00 0.00 C ATOM 977 CD1 LEU A 63 3.634 -0.168 -5.254 1.00 0.00 C ATOM 978 CD2 LEU A 63 4.008 -2.352 -6.489 1.00 0.00 C ATOM 0 H LEU A 63 5.262 -0.444 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 63 6.332 0.421 -4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.163 -2.454 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.744 -1.619 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 63 3.652 -2.118 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.584 -0.215 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.722 0.311 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.187 0.411 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.950 -2.355 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.578 -1.870 -7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.354 -3.378 -6.365 1.00 0.00 H new ATOM 990 N GLN A 64 8.354 -1.495 -6.228 1.00 0.00 N ATOM 991 CA GLN A 64 9.753 -1.834 -6.423 1.00 0.00 C ATOM 992 C GLN A 64 10.605 -0.564 -6.477 1.00 0.00 C ATOM 993 O GLN A 64 11.673 -0.502 -5.871 1.00 0.00 O ATOM 994 CB GLN A 64 9.942 -2.675 -7.686 1.00 0.00 C ATOM 995 CG GLN A 64 11.356 -3.257 -7.751 1.00 0.00 C ATOM 996 CD GLN A 64 11.691 -3.729 -9.168 1.00 0.00 C ATOM 997 OE1 GLN A 64 11.689 -4.910 -9.473 1.00 0.00 O ATOM 998 NE2 GLN A 64 11.977 -2.742 -10.013 1.00 0.00 N ATOM 0 H GLN A 64 7.704 -2.005 -6.827 1.00 0.00 H new ATOM 0 HA GLN A 64 10.083 -2.433 -5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.211 -3.483 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.757 -2.061 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.078 -2.504 -7.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 11.441 -4.092 -7.056 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.960 -1.774 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.213 -2.953 -10.983 1.00 0.00 H new ATOM 1007 N GLU A 65 10.099 0.418 -7.208 1.00 0.00 N ATOM 1008 CA GLU A 65 10.800 1.683 -7.350 1.00 0.00 C ATOM 1009 C GLU A 65 11.225 2.211 -5.978 1.00 0.00 C ATOM 1010 O GLU A 65 12.397 2.513 -5.761 1.00 0.00 O ATOM 1011 CB GLU A 65 9.938 2.708 -8.088 1.00 0.00 C ATOM 1012 CG GLU A 65 10.462 2.947 -9.506 1.00 0.00 C ATOM 1013 CD GLU A 65 11.674 3.881 -9.493 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.489 5.044 -9.075 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.758 3.410 -9.900 1.00 0.00 O ATOM 0 H GLU A 65 9.212 0.363 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 65 11.696 1.514 -7.947 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.907 2.357 -8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.931 3.648 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.737 1.995 -9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.673 3.379 -10.121 1.00 0.00 H new ATOM 1022 N TYR A 66 10.248 2.306 -5.087 1.00 0.00 N ATOM 1023 CA TYR A 66 10.506 2.792 -3.743 1.00 0.00 C ATOM 1024 C TYR A 66 11.323 1.777 -2.940 1.00 0.00 C ATOM 1025 O TYR A 66 11.888 2.112 -1.900 1.00 0.00 O ATOM 1026 CB TYR A 66 9.135 2.960 -3.085 1.00 0.00 C ATOM 1027 CG TYR A 66 8.351 4.176 -3.582 1.00 0.00 C ATOM 1028 CD1 TYR A 66 8.808 5.450 -3.310 1.00 0.00 C ATOM 1029 CD2 TYR A 66 7.188 3.999 -4.303 1.00 0.00 C ATOM 1030 CE1 TYR A 66 8.070 6.594 -3.778 1.00 0.00 C ATOM 1031 CE2 TYR A 66 6.450 5.144 -4.771 1.00 0.00 C ATOM 1032 CZ TYR A 66 6.928 6.385 -4.486 1.00 0.00 C ATOM 1033 OH TYR A 66 6.231 7.466 -4.928 1.00 0.00 O ATOM 0 H TYR A 66 9.277 2.054 -5.270 1.00 0.00 H new ATOM 0 HA TYR A 66 11.072 3.723 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.545 2.062 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.269 3.043 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.719 5.588 -2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.831 3.002 -4.516 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.416 7.596 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.538 5.020 -5.335 1.00 0.00 H new ATOM 0 HH TYR A 66 6.799 8.001 -5.521 1.00 0.00 H new ATOM 1043 N ASN A 67 11.358 0.556 -3.453 1.00 0.00 N ATOM 1044 CA ASN A 67 12.096 -0.511 -2.797 1.00 0.00 C ATOM 1045 C ASN A 67 11.358 -0.927 -1.523 1.00 0.00 C ATOM 1046 O ASN A 67 11.985 -1.261 -0.520 1.00 0.00 O ATOM 1047 CB ASN A 67 13.499 -0.047 -2.401 1.00 0.00 C ATOM 1048 CG ASN A 67 14.570 -0.940 -3.029 1.00 0.00 C ATOM 1049 OD1 ASN A 67 15.118 -0.652 -4.081 1.00 0.00 O ATOM 1050 ND2 ASN A 67 14.837 -2.039 -2.329 1.00 0.00 N ATOM 0 H ASN A 67 10.887 0.281 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 67 12.175 -1.345 -3.495 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.648 0.985 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.598 -0.063 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.537 -2.700 -2.665 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.342 -2.220 -1.456 1.00 0.00 H new ATOM 1057 N VAL A 68 10.036 -0.892 -1.605 1.00 0.00 N ATOM 1058 CA VAL A 68 9.206 -1.261 -0.471 1.00 0.00 C ATOM 1059 C VAL A 68 9.078 -2.785 -0.413 1.00 0.00 C ATOM 1060 O VAL A 68 8.349 -3.319 0.421 1.00 0.00 O ATOM 1061 CB VAL A 68 7.854 -0.551 -0.559 1.00 0.00 C ATOM 1062 CG1 VAL A 68 8.025 0.967 -0.463 1.00 0.00 C ATOM 1063 CG2 VAL A 68 7.113 -0.939 -1.840 1.00 0.00 C ATOM 0 H VAL A 68 9.519 -0.614 -2.439 1.00 0.00 H new ATOM 0 HA VAL A 68 9.668 -0.937 0.462 1.00 0.00 H new ATOM 0 HB VAL A 68 7.250 -0.875 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.049 1.448 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.492 1.221 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.656 1.315 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.155 -0.420 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.712 -0.658 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.943 -2.016 -1.850 1.00 0.00 H new ATOM 1073 N GLY A 69 9.799 -3.442 -1.310 1.00 0.00 N ATOM 1074 CA GLY A 69 9.775 -4.893 -1.371 1.00 0.00 C ATOM 1075 C GLY A 69 10.064 -5.505 0.002 1.00 0.00 C ATOM 1076 O GLY A 69 11.128 -5.276 0.575 1.00 0.00 O ATOM 0 H GLY A 69 10.403 -2.996 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.801 -5.230 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.514 -5.242 -2.092 1.00 0.00 H new ATOM 1080 N GLY A 70 9.098 -6.270 0.489 1.00 0.00 N ATOM 1081 CA GLY A 70 9.236 -6.916 1.783 1.00 0.00 C ATOM 1082 C GLY A 70 9.320 -5.880 2.906 1.00 0.00 C ATOM 1083 O GLY A 70 9.625 -6.221 4.048 1.00 0.00 O ATOM 0 H GLY A 70 8.217 -6.457 0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.387 -7.577 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.131 -7.538 1.789 1.00 0.00 H new ATOM 1087 N LYS A 71 9.044 -4.636 2.543 1.00 0.00 N ATOM 1088 CA LYS A 71 9.085 -3.549 3.506 1.00 0.00 C ATOM 1089 C LYS A 71 7.682 -3.322 4.072 1.00 0.00 C ATOM 1090 O LYS A 71 6.700 -3.826 3.528 1.00 0.00 O ATOM 1091 CB LYS A 71 9.704 -2.299 2.877 1.00 0.00 C ATOM 1092 CG LYS A 71 11.157 -2.553 2.468 1.00 0.00 C ATOM 1093 CD LYS A 71 12.093 -2.438 3.673 1.00 0.00 C ATOM 1094 CE LYS A 71 13.539 -2.740 3.274 1.00 0.00 C ATOM 1095 NZ LYS A 71 14.482 -2.097 4.217 1.00 0.00 N ATOM 0 H LYS A 71 8.791 -4.357 1.595 1.00 0.00 H new ATOM 0 HA LYS A 71 9.730 -3.808 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.123 -2.001 2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.661 -1.472 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.246 -3.546 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.454 -1.836 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.030 -1.434 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.775 -3.130 4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.703 -3.818 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.726 -2.381 2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.459 -2.312 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.337 -1.067 4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.314 -2.459 5.177 1.00 0.00 H new ATOM 1109 N VAL A 72 7.632 -2.563 5.156 1.00 0.00 N ATOM 1110 CA VAL A 72 6.365 -2.263 5.802 1.00 0.00 C ATOM 1111 C VAL A 72 5.968 -0.819 5.490 1.00 0.00 C ATOM 1112 O VAL A 72 6.659 0.118 5.888 1.00 0.00 O ATOM 1113 CB VAL A 72 6.462 -2.546 7.302 1.00 0.00 C ATOM 1114 CG1 VAL A 72 5.314 -1.879 8.062 1.00 0.00 C ATOM 1115 CG2 VAL A 72 6.499 -4.051 7.575 1.00 0.00 C ATOM 0 H VAL A 72 8.448 -2.146 5.604 1.00 0.00 H new ATOM 0 HA VAL A 72 5.576 -2.908 5.414 1.00 0.00 H new ATOM 0 HB VAL A 72 7.396 -2.117 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.407 -2.096 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.353 -0.801 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.363 -2.264 7.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.568 -4.224 8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.590 -4.513 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.366 -4.489 7.080 1.00 0.00 H new ATOM 1125 N ILE A 73 4.857 -0.684 4.782 1.00 0.00 N ATOM 1126 CA ILE A 73 4.360 0.631 4.412 1.00 0.00 C ATOM 1127 C ILE A 73 3.332 1.092 5.448 1.00 0.00 C ATOM 1128 O ILE A 73 2.951 0.328 6.333 1.00 0.00 O ATOM 1129 CB ILE A 73 3.825 0.618 2.979 1.00 0.00 C ATOM 1130 CG1 ILE A 73 4.688 -0.270 2.080 1.00 0.00 C ATOM 1131 CG2 ILE A 73 3.698 2.040 2.428 1.00 0.00 C ATOM 1132 CD1 ILE A 73 4.013 -0.500 0.726 1.00 0.00 C ATOM 0 H ILE A 73 4.286 -1.463 4.454 1.00 0.00 H new ATOM 0 HA ILE A 73 5.170 1.360 4.418 1.00 0.00 H new ATOM 0 HB ILE A 73 2.824 0.187 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.662 0.195 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.864 -1.228 2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.316 2.002 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.011 2.612 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.677 2.520 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.647 -1.134 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.050 -0.988 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.860 0.458 0.228 1.00 0.00 H new ATOM 1144 N HIS A 74 2.912 2.341 5.302 1.00 0.00 N ATOM 1145 CA HIS A 74 1.936 2.913 6.214 1.00 0.00 C ATOM 1146 C HIS A 74 0.752 3.465 5.418 1.00 0.00 C ATOM 1147 O HIS A 74 0.791 4.601 4.947 1.00 0.00 O ATOM 1148 CB HIS A 74 2.586 3.964 7.116 1.00 0.00 C ATOM 1149 CG HIS A 74 3.337 3.386 8.291 1.00 0.00 C ATOM 1150 ND1 HIS A 74 2.704 2.746 9.343 1.00 0.00 N ATOM 1151 CD2 HIS A 74 4.672 3.357 8.570 1.00 0.00 C ATOM 1152 CE1 HIS A 74 3.626 2.354 10.210 1.00 0.00 C ATOM 1153 NE2 HIS A 74 4.845 2.734 9.729 1.00 0.00 N ATOM 0 H HIS A 74 3.230 2.972 4.566 1.00 0.00 H new ATOM 0 HA HIS A 74 1.553 2.137 6.877 1.00 0.00 H new ATOM 0 HB2 HIS A 74 3.272 4.565 6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.813 4.637 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.455 3.771 7.952 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.445 1.826 11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.742 2.567 10.185 1.00 0.00 H new ATOM 1161 N LEU A 75 -0.273 2.635 5.290 1.00 0.00 N ATOM 1162 CA LEU A 75 -1.466 3.026 4.559 1.00 0.00 C ATOM 1163 C LEU A 75 -2.431 3.736 5.510 1.00 0.00 C ATOM 1164 O LEU A 75 -2.626 3.300 6.643 1.00 0.00 O ATOM 1165 CB LEU A 75 -2.079 1.817 3.850 1.00 0.00 C ATOM 1166 CG LEU A 75 -3.608 1.766 3.813 1.00 0.00 C ATOM 1167 CD1 LEU A 75 -4.168 2.805 2.839 1.00 0.00 C ATOM 1168 CD2 LEU A 75 -4.102 0.354 3.490 1.00 0.00 C ATOM 0 H LEU A 75 -0.302 1.693 5.680 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.215 3.736 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.710 1.796 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.717 0.912 4.338 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.982 2.019 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.256 2.748 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.859 3.802 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.788 2.607 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.192 0.346 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.719 0.048 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.748 -0.339 4.253 1.00 0.00 H new ATOM 1180 N VAL A 76 -3.011 4.820 5.013 1.00 0.00 N ATOM 1181 CA VAL A 76 -3.951 5.595 5.804 1.00 0.00 C ATOM 1182 C VAL A 76 -5.290 5.671 5.067 1.00 0.00 C ATOM 1183 O VAL A 76 -5.324 5.723 3.838 1.00 0.00 O ATOM 1184 CB VAL A 76 -3.362 6.972 6.116 1.00 0.00 C ATOM 1185 CG1 VAL A 76 -2.099 6.847 6.970 1.00 0.00 C ATOM 1186 CG2 VAL A 76 -3.080 7.752 4.830 1.00 0.00 C ATOM 0 H VAL A 76 -2.847 5.179 4.072 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.134 5.110 6.763 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.101 7.530 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.700 7.840 7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.343 6.350 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.353 6.262 6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.662 8.727 5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.368 7.198 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.009 7.887 4.275 1.00 0.00 H new ATOM 1196 N GLU A 77 -6.360 5.674 5.848 1.00 0.00 N ATOM 1197 CA GLU A 77 -7.697 5.742 5.285 1.00 0.00 C ATOM 1198 C GLU A 77 -8.371 7.059 5.676 1.00 0.00 C ATOM 1199 O GLU A 77 -8.417 7.411 6.853 1.00 0.00 O ATOM 1200 CB GLU A 77 -8.540 4.543 5.725 1.00 0.00 C ATOM 1201 CG GLU A 77 -9.971 4.654 5.195 1.00 0.00 C ATOM 1202 CD GLU A 77 -10.989 4.401 6.308 1.00 0.00 C ATOM 1203 OE1 GLU A 77 -11.193 3.211 6.631 1.00 0.00 O ATOM 1204 OE2 GLU A 77 -11.541 5.403 6.811 1.00 0.00 O ATOM 0 H GLU A 77 -6.328 5.630 6.867 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.614 5.707 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.085 3.621 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.555 4.484 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.130 5.645 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.121 3.935 4.390 1.00 0.00 H new