USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 866 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 11 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0.066) USER MOD Single : A 33 LYS NZ :NH3+ -123:sc= -0.0238 (180deg=-0.411) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.483 K(o=0.48,f=-5.9!) USER MOD Single : A 46 LYS NZ :NH3+ 125:sc= -0.145 (180deg=-0.653) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 144:sc= -0.127 (180deg=-0.656) USER MOD Single : A 52 SER OG : rot -139:sc= 0.118 USER MOD Single : A 59 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.8) USER MOD Single : A 70 MET CE :methyl 160:sc= -5.25! (180deg=-6.27!) USER MOD Single : A 80 ASN : amide:sc= -1.09 X(o=-1.1,f=-0.93) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -3.44! X(o=-3.4!,f=-3.5) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 91 ASN : amide:sc= -0.556 K(o=-0.56,f=-3.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -23:sc= 0.589 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -1.6! C(o=-1.6!,f=-7.6!) USER MOD Single : A 115 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 117 MET CE :methyl -127:sc= -3.8 (180deg=-10.8!) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.697 -11.967 11.633 1.00 0.00 N ATOM 89 CA PHE A 10 1.306 -10.710 11.004 1.00 0.00 C ATOM 90 C PHE A 10 1.450 -9.546 11.980 1.00 0.00 C ATOM 91 O PHE A 10 0.870 -8.478 11.781 1.00 0.00 O ATOM 92 CB PHE A 10 -0.138 -10.794 10.503 1.00 0.00 C ATOM 93 CG PHE A 10 -0.315 -11.728 9.340 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.154 -11.276 8.041 1.00 0.00 C ATOM 95 CD2 PHE A 10 -0.643 -13.059 9.547 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.317 -12.133 6.969 1.00 0.00 C ATOM 97 CE2 PHE A 10 -0.808 -13.921 8.479 1.00 0.00 C ATOM 98 CZ PHE A 10 -0.643 -13.457 7.189 1.00 0.00 C ATOM 0 HA PHE A 10 1.968 -10.535 10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.780 -11.120 11.321 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.472 -9.798 10.213 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.102 -10.242 7.864 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.771 -13.427 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.190 -11.768 5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.065 -14.955 8.653 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.769 -14.129 6.353 1.00 0.00 H new ATOM 108 N THR A 11 2.229 -9.760 13.036 1.00 0.00 N ATOM 109 CA THR A 11 2.450 -8.730 14.043 1.00 0.00 C ATOM 110 C THR A 11 3.411 -7.661 13.536 1.00 0.00 C ATOM 111 O THR A 11 4.354 -7.959 12.803 1.00 0.00 O ATOM 112 CB THR A 11 3.009 -9.331 15.347 1.00 0.00 C ATOM 113 OG1 THR A 11 4.053 -10.265 15.048 1.00 0.00 O ATOM 114 CG2 THR A 11 1.911 -10.026 16.137 1.00 0.00 C ATOM 0 H THR A 11 2.717 -10.637 13.216 1.00 0.00 H new ATOM 0 HA THR A 11 1.481 -8.275 14.247 1.00 0.00 H new ATOM 0 HB THR A 11 3.411 -8.519 15.952 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.404 -10.641 15.882 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.330 -10.442 17.053 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.132 -9.306 16.388 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.483 -10.829 15.536 1.00 0.00 H new ATOM 122 N ASP A 12 3.166 -6.417 13.932 1.00 0.00 N ATOM 123 CA ASP A 12 4.012 -5.303 13.518 1.00 0.00 C ATOM 124 C ASP A 12 5.488 -5.679 13.608 1.00 0.00 C ATOM 125 O ASP A 12 6.218 -5.603 12.621 1.00 0.00 O ATOM 126 CB ASP A 12 3.732 -4.074 14.384 1.00 0.00 C ATOM 127 CG ASP A 12 3.360 -4.440 15.807 1.00 0.00 C ATOM 128 OD1 ASP A 12 3.735 -5.545 16.252 1.00 0.00 O ATOM 129 OD2 ASP A 12 2.694 -3.623 16.476 1.00 0.00 O ATOM 0 H ASP A 12 2.389 -6.154 14.539 1.00 0.00 H new ATOM 0 HA ASP A 12 3.779 -5.067 12.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.614 -3.433 14.396 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.923 -3.495 13.938 1.00 0.00 H new ATOM 134 N GLN A 13 5.919 -6.082 14.799 1.00 0.00 N ATOM 135 CA GLN A 13 7.308 -6.467 15.018 1.00 0.00 C ATOM 136 C GLN A 13 7.802 -7.380 13.901 1.00 0.00 C ATOM 137 O GLN A 13 8.965 -7.316 13.500 1.00 0.00 O ATOM 138 CB GLN A 13 7.458 -7.168 16.369 1.00 0.00 C ATOM 139 CG GLN A 13 8.831 -7.785 16.586 1.00 0.00 C ATOM 140 CD GLN A 13 8.802 -8.946 17.560 1.00 0.00 C ATOM 141 OE1 GLN A 13 7.954 -9.003 18.450 1.00 0.00 O ATOM 142 NE2 GLN A 13 9.732 -9.880 17.396 1.00 0.00 N ATOM 0 H GLN A 13 5.327 -6.150 15.627 1.00 0.00 H new ATOM 0 HA GLN A 13 7.914 -5.561 15.017 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.262 -6.450 17.165 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.701 -7.948 16.450 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.226 -8.128 15.630 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.514 -7.021 16.958 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.416 -9.792 16.644 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.762 -10.685 18.022 1.00 0.00 H new ATOM 151 N LYS A 14 6.912 -8.230 13.400 1.00 0.00 N ATOM 152 CA LYS A 14 7.256 -9.156 12.328 1.00 0.00 C ATOM 153 C LYS A 14 7.210 -8.459 10.972 1.00 0.00 C ATOM 154 O LYS A 14 8.019 -8.746 10.089 1.00 0.00 O ATOM 155 CB LYS A 14 6.300 -10.351 12.332 1.00 0.00 C ATOM 156 CG LYS A 14 6.639 -11.397 13.379 1.00 0.00 C ATOM 157 CD LYS A 14 7.710 -12.355 12.885 1.00 0.00 C ATOM 158 CE LYS A 14 8.478 -12.976 14.041 1.00 0.00 C ATOM 159 NZ LYS A 14 9.553 -12.075 14.541 1.00 0.00 N ATOM 0 H LYS A 14 5.946 -8.297 13.720 1.00 0.00 H new ATOM 0 HA LYS A 14 8.272 -9.511 12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.285 -9.993 12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.311 -10.818 11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.982 -10.904 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.741 -11.957 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.249 -13.142 12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.401 -11.824 12.231 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.789 -13.205 14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.916 -13.921 13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.053 -12.535 15.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.225 -11.877 13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.133 -11.183 14.872 1.00 0.00 H new ATOM 173 N ILE A 15 6.261 -7.543 10.814 1.00 0.00 N ATOM 174 CA ILE A 15 6.112 -6.804 9.566 1.00 0.00 C ATOM 175 C ILE A 15 7.334 -5.933 9.295 1.00 0.00 C ATOM 176 O ILE A 15 7.855 -5.907 8.179 1.00 0.00 O ATOM 177 CB ILE A 15 4.855 -5.914 9.585 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.607 -6.763 9.838 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.727 -5.151 8.275 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.352 -5.944 10.043 1.00 0.00 C ATOM 0 H ILE A 15 5.583 -7.294 11.535 1.00 0.00 H new ATOM 0 HA ILE A 15 6.011 -7.543 8.771 1.00 0.00 H new ATOM 0 HB ILE A 15 4.951 -5.192 10.396 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.458 -7.436 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.773 -7.386 10.717 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.834 -4.526 8.303 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.606 -4.522 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.649 -5.857 7.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.507 -6.610 10.217 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.481 -5.289 10.905 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.162 -5.341 9.155 1.00 0.00 H new ATOM 192 N ARG A 16 7.787 -5.222 10.322 1.00 0.00 N ATOM 193 CA ARG A 16 8.949 -4.350 10.194 1.00 0.00 C ATOM 194 C ARG A 16 10.218 -5.165 9.967 1.00 0.00 C ATOM 195 O ARG A 16 11.057 -4.806 9.141 1.00 0.00 O ATOM 196 CB ARG A 16 9.103 -3.484 11.446 1.00 0.00 C ATOM 197 CG ARG A 16 9.420 -4.280 12.702 1.00 0.00 C ATOM 198 CD ARG A 16 9.459 -3.387 13.932 1.00 0.00 C ATOM 199 NE ARG A 16 10.201 -4.000 15.030 1.00 0.00 N ATOM 200 CZ ARG A 16 10.053 -3.650 16.303 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.194 -2.698 16.637 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.765 -4.255 17.245 1.00 0.00 N ATOM 0 H ARG A 16 7.368 -5.232 11.252 1.00 0.00 H new ATOM 0 HA ARG A 16 8.794 -3.704 9.330 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.896 -2.755 11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.182 -2.922 11.605 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.670 -5.058 12.840 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.381 -4.781 12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.918 -2.433 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.441 -3.173 14.257 1.00 0.00 H new ATOM 0 HE ARG A 16 10.870 -4.737 14.807 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.644 -2.231 15.916 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.083 -2.432 17.615 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.426 -4.989 16.992 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.651 -3.986 18.222 1.00 0.00 H new ATOM 216 N GLN A 17 10.351 -6.262 10.706 1.00 0.00 N ATOM 217 CA GLN A 17 11.519 -7.127 10.585 1.00 0.00 C ATOM 218 C GLN A 17 11.495 -7.894 9.268 1.00 0.00 C ATOM 219 O GLN A 17 12.542 -8.205 8.700 1.00 0.00 O ATOM 220 CB GLN A 17 11.578 -8.106 11.759 1.00 0.00 C ATOM 221 CG GLN A 17 12.346 -7.574 12.958 1.00 0.00 C ATOM 222 CD GLN A 17 12.983 -8.677 13.779 1.00 0.00 C ATOM 223 OE1 GLN A 17 13.097 -9.817 13.327 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.403 -8.344 14.994 1.00 0.00 N ATOM 0 H GLN A 17 9.665 -6.573 11.394 1.00 0.00 H new ATOM 0 HA GLN A 17 12.409 -6.498 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.562 -8.351 12.069 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.041 -9.034 11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.121 -6.889 12.614 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.671 -6.999 13.591 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.289 -7.387 15.329 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.840 -9.045 15.592 1.00 0.00 H new ATOM 233 N ARG A 18 10.293 -8.196 8.787 1.00 0.00 N ATOM 234 CA ARG A 18 10.133 -8.929 7.536 1.00 0.00 C ATOM 235 C ARG A 18 10.537 -8.065 6.345 1.00 0.00 C ATOM 236 O ARG A 18 11.189 -8.540 5.414 1.00 0.00 O ATOM 237 CB ARG A 18 8.684 -9.393 7.375 1.00 0.00 C ATOM 238 CG ARG A 18 8.392 -10.018 6.021 1.00 0.00 C ATOM 239 CD ARG A 18 7.210 -10.971 6.090 1.00 0.00 C ATOM 240 NE ARG A 18 7.572 -12.249 6.697 1.00 0.00 N ATOM 241 CZ ARG A 18 6.732 -13.272 6.813 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.489 -13.167 6.365 1.00 0.00 N ATOM 243 NH2 ARG A 18 7.136 -14.403 7.377 1.00 0.00 N ATOM 0 H ARG A 18 9.416 -7.945 9.244 1.00 0.00 H new ATOM 0 HA ARG A 18 10.786 -9.801 7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.454 -10.117 8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.020 -8.541 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.186 -9.233 5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.273 -10.555 5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.407 -10.511 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.824 -11.143 5.085 1.00 0.00 H new ATOM 0 HE ARG A 18 8.522 -12.363 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.175 -12.299 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.846 -13.954 6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.092 -14.488 7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.490 -15.188 7.466 1.00 0.00 H new ATOM 257 N TYR A 19 10.145 -6.797 6.380 1.00 0.00 N ATOM 258 CA TYR A 19 10.463 -5.868 5.302 1.00 0.00 C ATOM 259 C TYR A 19 11.587 -4.922 5.713 1.00 0.00 C ATOM 260 O TYR A 19 11.822 -3.901 5.067 1.00 0.00 O ATOM 261 CB TYR A 19 9.222 -5.064 4.910 1.00 0.00 C ATOM 262 CG TYR A 19 8.093 -5.916 4.376 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.131 -6.423 3.083 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.989 -6.214 5.164 1.00 0.00 C ATOM 265 CE1 TYR A 19 7.101 -7.201 2.590 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.955 -6.992 4.681 1.00 0.00 C ATOM 267 CZ TYR A 19 6.015 -7.483 3.393 1.00 0.00 C ATOM 268 OH TYR A 19 4.988 -8.259 2.907 1.00 0.00 O ATOM 0 H TYR A 19 9.606 -6.388 7.144 1.00 0.00 H new ATOM 0 HA TYR A 19 10.797 -6.449 4.442 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.868 -4.510 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.499 -4.328 4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.980 -6.205 2.452 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.938 -5.831 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.146 -7.586 1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.104 -7.215 5.308 1.00 0.00 H new ATOM 0 HH TYR A 19 4.301 -8.364 3.598 1.00 0.00 H new ATOM 278 N ALA A 20 12.280 -5.269 6.793 1.00 0.00 N ATOM 279 CA ALA A 20 13.381 -4.454 7.289 1.00 0.00 C ATOM 280 C ALA A 20 14.540 -4.434 6.298 1.00 0.00 C ATOM 281 O ALA A 20 15.381 -3.535 6.330 1.00 0.00 O ATOM 282 CB ALA A 20 13.850 -4.968 8.642 1.00 0.00 C ATOM 0 H ALA A 20 12.098 -6.110 7.341 1.00 0.00 H new ATOM 0 HA ALA A 20 13.020 -3.432 7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.673 -4.350 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.026 -4.924 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.188 -5.999 8.542 1.00 0.00 H new ATOM 288 N ASP A 21 14.578 -5.430 5.420 1.00 0.00 N ATOM 289 CA ASP A 21 15.634 -5.526 4.419 1.00 0.00 C ATOM 290 C ASP A 21 15.476 -4.443 3.356 1.00 0.00 C ATOM 291 O ASP A 21 16.462 -3.948 2.808 1.00 0.00 O ATOM 292 CB ASP A 21 15.619 -6.908 3.763 1.00 0.00 C ATOM 293 CG ASP A 21 14.445 -7.089 2.821 1.00 0.00 C ATOM 294 OD1 ASP A 21 13.299 -7.159 3.310 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.673 -7.162 1.595 1.00 0.00 O ATOM 0 H ASP A 21 13.890 -6.182 5.381 1.00 0.00 H new ATOM 0 HA ASP A 21 16.591 -5.380 4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.548 -7.056 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.581 -7.674 4.537 1.00 0.00 H new ATOM 300 N LEU A 22 14.231 -4.080 3.069 1.00 0.00 N ATOM 301 CA LEU A 22 13.943 -3.056 2.071 1.00 0.00 C ATOM 302 C LEU A 22 14.763 -1.796 2.332 1.00 0.00 C ATOM 303 O LEU A 22 15.096 -1.467 3.470 1.00 0.00 O ATOM 304 CB LEU A 22 12.452 -2.717 2.075 1.00 0.00 C ATOM 305 CG LEU A 22 11.493 -3.903 1.962 1.00 0.00 C ATOM 306 CD1 LEU A 22 10.058 -3.418 1.824 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.876 -4.786 0.783 1.00 0.00 C ATOM 0 H LEU A 22 13.404 -4.480 3.513 1.00 0.00 H new ATOM 0 HA LEU A 22 14.217 -3.450 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.225 -2.178 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.253 -2.035 1.249 1.00 0.00 H new ATOM 0 HG LEU A 22 11.568 -4.495 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.390 -4.276 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.788 -2.827 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.966 -2.803 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.184 -5.625 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.830 -4.204 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.889 -5.162 0.924 1.00 0.00 H new ATOM 319 N PRO A 23 15.096 -1.073 1.252 1.00 0.00 N ATOM 320 CA PRO A 23 15.879 0.164 1.338 1.00 0.00 C ATOM 321 C PRO A 23 15.094 1.303 1.981 1.00 0.00 C ATOM 322 O PRO A 23 15.579 1.962 2.900 1.00 0.00 O ATOM 323 CB PRO A 23 16.191 0.489 -0.125 1.00 0.00 C ATOM 324 CG PRO A 23 15.097 -0.163 -0.899 1.00 0.00 C ATOM 325 CD PRO A 23 14.733 -1.406 -0.136 1.00 0.00 C ATOM 0 HA PRO A 23 16.766 0.043 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.210 1.565 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.167 0.102 -0.417 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.238 0.501 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.426 -0.408 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.672 -1.638 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.283 -2.275 -0.498 1.00 0.00 H new ATOM 333 N GLY A 24 13.879 1.529 1.492 1.00 0.00 N ATOM 334 CA GLY A 24 13.047 2.588 2.031 1.00 0.00 C ATOM 335 C GLY A 24 12.724 2.382 3.498 1.00 0.00 C ATOM 336 O GLY A 24 13.385 1.601 4.181 1.00 0.00 O ATOM 0 H GLY A 24 13.456 0.997 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.554 3.544 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.119 2.642 1.462 1.00 0.00 H new ATOM 340 N GLU A 25 11.706 3.086 3.982 1.00 0.00 N ATOM 341 CA GLU A 25 11.299 2.977 5.378 1.00 0.00 C ATOM 342 C GLU A 25 9.840 2.542 5.488 1.00 0.00 C ATOM 343 O GLU A 25 8.948 3.172 4.919 1.00 0.00 O ATOM 344 CB GLU A 25 11.498 4.313 6.097 1.00 0.00 C ATOM 345 CG GLU A 25 11.712 4.174 7.594 1.00 0.00 C ATOM 346 CD GLU A 25 13.095 3.659 7.941 1.00 0.00 C ATOM 347 OE1 GLU A 25 13.313 2.433 7.849 1.00 0.00 O ATOM 348 OE2 GLU A 25 13.960 4.483 8.304 1.00 0.00 O ATOM 0 H GLU A 25 11.149 3.737 3.429 1.00 0.00 H new ATOM 0 HA GLU A 25 11.923 2.220 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.356 4.825 5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.627 4.944 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.559 5.142 8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.963 3.496 8.003 1.00 0.00 H new ATOM 355 N LEU A 26 9.606 1.459 6.221 1.00 0.00 N ATOM 356 CA LEU A 26 8.256 0.937 6.405 1.00 0.00 C ATOM 357 C LEU A 26 7.372 1.954 7.121 1.00 0.00 C ATOM 358 O LEU A 26 7.714 2.439 8.200 1.00 0.00 O ATOM 359 CB LEU A 26 8.297 -0.369 7.200 1.00 0.00 C ATOM 360 CG LEU A 26 7.049 -1.248 7.113 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.096 -2.119 5.867 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.912 -2.105 8.362 1.00 0.00 C ATOM 0 H LEU A 26 10.333 0.925 6.697 1.00 0.00 H new ATOM 0 HA LEU A 26 7.831 0.743 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.152 -0.952 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.474 -0.127 8.248 1.00 0.00 H new ATOM 0 HG LEU A 26 6.175 -0.600 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.200 -2.738 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.144 -1.485 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.977 -2.759 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.018 -2.724 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.789 -2.745 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.831 -1.461 9.238 1.00 0.00 H new ATOM 374 N HIS A 27 6.233 2.271 6.514 1.00 0.00 N ATOM 375 CA HIS A 27 5.298 3.228 7.095 1.00 0.00 C ATOM 376 C HIS A 27 3.892 2.641 7.164 1.00 0.00 C ATOM 377 O HIS A 27 3.182 2.587 6.159 1.00 0.00 O ATOM 378 CB HIS A 27 5.284 4.520 6.277 1.00 0.00 C ATOM 379 CG HIS A 27 6.356 5.490 6.671 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.207 6.400 7.696 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.598 5.687 6.171 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.312 7.116 7.809 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.172 6.703 6.895 1.00 0.00 N ATOM 0 H HIS A 27 5.935 1.879 5.620 1.00 0.00 H new ATOM 0 HA HIS A 27 5.629 3.452 8.109 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.399 4.273 5.221 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.312 5.000 6.388 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.053 5.146 5.355 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.483 7.905 8.527 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.110 7.078 6.751 1.00 0.00 H new ATOM 392 N ILE A 28 3.497 2.201 8.354 1.00 0.00 N ATOM 393 CA ILE A 28 2.176 1.618 8.553 1.00 0.00 C ATOM 394 C ILE A 28 1.195 2.651 9.097 1.00 0.00 C ATOM 395 O ILE A 28 1.305 3.081 10.246 1.00 0.00 O ATOM 396 CB ILE A 28 2.229 0.419 9.518 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.181 -0.652 8.983 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.837 -0.157 9.725 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.639 -1.636 10.038 1.00 0.00 C ATOM 0 H ILE A 28 4.073 2.237 9.195 1.00 0.00 H new ATOM 0 HA ILE A 28 1.833 1.274 7.577 1.00 0.00 H new ATOM 0 HB ILE A 28 2.604 0.764 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.686 -1.198 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.054 -0.166 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.892 -1.004 10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.185 0.609 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.435 -0.490 8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.311 -2.366 9.587 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.163 -1.102 10.831 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.774 -2.150 10.457 1.00 0.00 H new ATOM 411 N ILE A 29 0.237 3.045 8.265 1.00 0.00 N ATOM 412 CA ILE A 29 -0.765 4.025 8.664 1.00 0.00 C ATOM 413 C ILE A 29 -2.173 3.535 8.342 1.00 0.00 C ATOM 414 O ILE A 29 -2.380 2.812 7.368 1.00 0.00 O ATOM 415 CB ILE A 29 -0.534 5.381 7.970 1.00 0.00 C ATOM 416 CG1 ILE A 29 -1.006 5.320 6.515 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.936 5.768 8.040 1.00 0.00 C ATOM 418 CD1 ILE A 29 -1.006 6.666 5.824 1.00 0.00 C ATOM 0 H ILE A 29 0.134 2.701 7.310 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.666 4.156 9.742 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.115 6.143 8.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.363 4.636 5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.013 4.905 6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.083 6.728 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.242 5.846 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.537 5.007 7.542 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.351 6.548 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.671 7.347 6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.005 7.074 5.822 1.00 0.00 H new ATOM 430 N GLU A 30 -3.136 3.936 9.165 1.00 0.00 N ATOM 431 CA GLU A 30 -4.524 3.538 8.967 1.00 0.00 C ATOM 432 C GLU A 30 -5.343 4.688 8.386 1.00 0.00 C ATOM 433 O GLU A 30 -5.095 5.856 8.689 1.00 0.00 O ATOM 434 CB GLU A 30 -5.140 3.076 10.290 1.00 0.00 C ATOM 435 CG GLU A 30 -4.724 1.673 10.698 1.00 0.00 C ATOM 436 CD GLU A 30 -3.477 1.662 11.561 1.00 0.00 C ATOM 437 OE1 GLU A 30 -2.597 2.521 11.345 1.00 0.00 O ATOM 438 OE2 GLU A 30 -3.382 0.794 12.454 1.00 0.00 O ATOM 0 H GLU A 30 -2.980 4.536 9.975 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.539 2.710 8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.855 3.774 11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.226 3.114 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.542 1.199 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.548 1.076 9.803 1.00 0.00 H new ATOM 445 N LEU A 31 -6.317 4.349 7.550 1.00 0.00 N ATOM 446 CA LEU A 31 -7.173 5.352 6.925 1.00 0.00 C ATOM 447 C LEU A 31 -8.615 4.861 6.840 1.00 0.00 C ATOM 448 O LEU A 31 -8.894 3.831 6.227 1.00 0.00 O ATOM 449 CB LEU A 31 -6.655 5.694 5.528 1.00 0.00 C ATOM 450 CG LEU A 31 -5.150 5.939 5.411 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.761 6.192 3.963 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.730 7.108 6.290 1.00 0.00 C ATOM 0 H LEU A 31 -6.534 3.387 7.289 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.150 6.249 7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.924 4.881 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.176 6.585 5.177 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.628 5.046 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.687 6.364 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.026 5.325 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.291 7.069 3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.656 7.268 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.260 8.007 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.973 6.887 7.329 1.00 0.00 H new ATOM 464 N GLU A 32 -9.526 5.607 7.457 1.00 0.00 N ATOM 465 CA GLU A 32 -10.939 5.247 7.448 1.00 0.00 C ATOM 466 C GLU A 32 -11.558 5.504 6.077 1.00 0.00 C ATOM 467 O GLU A 32 -11.708 6.651 5.656 1.00 0.00 O ATOM 468 CB GLU A 32 -11.696 6.038 8.517 1.00 0.00 C ATOM 469 CG GLU A 32 -12.895 5.299 9.086 1.00 0.00 C ATOM 470 CD GLU A 32 -13.924 6.235 9.691 1.00 0.00 C ATOM 471 OE1 GLU A 32 -14.435 7.108 8.959 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.217 6.094 10.897 1.00 0.00 O ATOM 0 H GLU A 32 -9.311 6.463 7.969 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.017 4.183 7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.011 6.282 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.032 6.982 8.089 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.363 4.712 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.556 4.596 9.847 1.00 0.00 H new ATOM 479 N LYS A 33 -11.914 4.428 5.384 1.00 0.00 N ATOM 480 CA LYS A 33 -12.516 4.534 4.061 1.00 0.00 C ATOM 481 C LYS A 33 -13.512 5.688 4.007 1.00 0.00 C ATOM 482 O LYS A 33 -14.456 5.743 4.795 1.00 0.00 O ATOM 483 CB LYS A 33 -13.217 3.225 3.690 1.00 0.00 C ATOM 484 CG LYS A 33 -12.260 2.110 3.307 1.00 0.00 C ATOM 485 CD LYS A 33 -12.910 1.119 2.355 1.00 0.00 C ATOM 486 CE LYS A 33 -13.841 0.168 3.091 1.00 0.00 C ATOM 487 NZ LYS A 33 -15.213 0.731 3.229 1.00 0.00 N ATOM 0 H LYS A 33 -11.796 3.471 5.717 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.720 4.730 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.825 2.897 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.897 3.410 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.372 2.536 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.929 1.589 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.470 1.660 1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.138 0.548 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.890 -0.780 2.555 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.435 -0.045 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.474 0.766 4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.236 1.692 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -15.889 0.129 2.717 1.00 0.00 H new ATOM 501 N ASP A 34 -13.295 6.607 3.072 1.00 0.00 N ATOM 502 CA ASP A 34 -14.175 7.759 2.915 1.00 0.00 C ATOM 503 C ASP A 34 -15.427 7.383 2.128 1.00 0.00 C ATOM 504 O ASP A 34 -15.582 6.241 1.695 1.00 0.00 O ATOM 505 CB ASP A 34 -13.437 8.898 2.209 1.00 0.00 C ATOM 506 CG ASP A 34 -14.077 10.249 2.466 1.00 0.00 C ATOM 507 OD1 ASP A 34 -14.628 10.445 3.569 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.026 11.110 1.563 1.00 0.00 O ATOM 0 H ASP A 34 -12.518 6.576 2.412 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.478 8.092 3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.401 8.920 2.546 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.419 8.706 1.136 1.00 0.00 H new ATOM 513 N LYS A 35 -16.319 8.351 1.948 1.00 0.00 N ATOM 514 CA LYS A 35 -17.558 8.124 1.214 1.00 0.00 C ATOM 515 C LYS A 35 -17.325 7.190 0.030 1.00 0.00 C ATOM 516 O LYS A 35 -18.227 6.466 -0.388 1.00 0.00 O ATOM 517 CB LYS A 35 -18.136 9.453 0.723 1.00 0.00 C ATOM 518 CG LYS A 35 -19.515 9.324 0.099 1.00 0.00 C ATOM 519 CD LYS A 35 -20.593 9.166 1.158 1.00 0.00 C ATOM 520 CE LYS A 35 -21.804 8.424 0.614 1.00 0.00 C ATOM 521 NZ LYS A 35 -23.055 8.809 1.323 1.00 0.00 N ATOM 0 H LYS A 35 -16.207 9.301 2.301 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.271 7.654 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.189 10.148 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.455 9.888 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -19.725 10.205 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.533 8.465 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.188 8.625 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.898 10.149 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.911 8.634 -0.450 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.646 7.350 0.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.857 8.282 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.964 8.585 2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -23.220 9.829 1.207 1.00 0.00 H new ATOM 535 N ASN A 36 -16.109 7.212 -0.505 1.00 0.00 N ATOM 536 CA ASN A 36 -15.758 6.367 -1.640 1.00 0.00 C ATOM 537 C ASN A 36 -14.714 5.327 -1.242 1.00 0.00 C ATOM 538 O ASN A 36 -14.553 4.307 -1.911 1.00 0.00 O ATOM 539 CB ASN A 36 -15.228 7.221 -2.794 1.00 0.00 C ATOM 540 CG ASN A 36 -16.218 8.285 -3.227 1.00 0.00 C ATOM 541 OD1 ASN A 36 -16.333 9.336 -2.596 1.00 0.00 O ATOM 542 ND2 ASN A 36 -16.939 8.017 -4.310 1.00 0.00 N ATOM 0 H ASN A 36 -15.350 7.806 -0.171 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.659 5.846 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.296 7.698 -2.491 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -14.996 6.577 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.621 8.695 -4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.811 7.133 -4.802 1.00 0.00 H new ATOM 549 N GLY A 37 -14.009 5.594 -0.147 1.00 0.00 N ATOM 550 CA GLY A 37 -12.990 4.672 0.321 1.00 0.00 C ATOM 551 C GLY A 37 -11.586 5.176 0.055 1.00 0.00 C ATOM 552 O GLY A 37 -11.390 6.346 -0.274 1.00 0.00 O ATOM 0 H GLY A 37 -14.125 6.431 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.117 4.508 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.125 3.707 -0.168 1.00 0.00 H new ATOM 556 N LEU A 38 -10.605 4.291 0.198 1.00 0.00 N ATOM 557 CA LEU A 38 -9.210 4.652 -0.028 1.00 0.00 C ATOM 558 C LEU A 38 -8.951 4.925 -1.507 1.00 0.00 C ATOM 559 O LEU A 38 -8.926 4.005 -2.323 1.00 0.00 O ATOM 560 CB LEU A 38 -8.287 3.537 0.465 1.00 0.00 C ATOM 561 CG LEU A 38 -8.705 2.846 1.764 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.729 1.732 2.114 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.795 3.854 2.900 1.00 0.00 C ATOM 0 H LEU A 38 -10.750 3.319 0.469 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.001 5.563 0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.212 2.782 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.289 3.953 0.603 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.691 2.405 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.042 1.252 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.714 0.995 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.730 2.150 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.094 3.344 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.823 4.324 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.533 4.617 2.652 1.00 0.00 H new ATOM 575 N GLY A 39 -8.756 6.197 -1.843 1.00 0.00 N ATOM 576 CA GLY A 39 -8.500 6.568 -3.223 1.00 0.00 C ATOM 577 C GLY A 39 -7.019 6.701 -3.521 1.00 0.00 C ATOM 578 O GLY A 39 -6.370 7.647 -3.073 1.00 0.00 O ATOM 0 H GLY A 39 -8.771 6.976 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.935 5.819 -3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.998 7.513 -3.441 1.00 0.00 H new ATOM 582 N LEU A 40 -6.483 5.750 -4.278 1.00 0.00 N ATOM 583 CA LEU A 40 -5.069 5.763 -4.635 1.00 0.00 C ATOM 584 C LEU A 40 -4.849 5.145 -6.013 1.00 0.00 C ATOM 585 O LEU A 40 -5.438 4.117 -6.344 1.00 0.00 O ATOM 586 CB LEU A 40 -4.251 5.006 -3.588 1.00 0.00 C ATOM 587 CG LEU A 40 -4.303 5.563 -2.165 1.00 0.00 C ATOM 588 CD1 LEU A 40 -3.966 4.478 -1.154 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.354 6.743 -2.019 1.00 0.00 C ATOM 0 H LEU A 40 -7.006 4.960 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.737 6.801 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.595 3.972 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.210 4.988 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.317 5.911 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.008 4.893 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.685 3.664 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.963 4.099 -1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.404 7.126 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.336 6.420 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.641 7.529 -2.717 1.00 0.00 H new ATOM 601 N SER A 41 -3.995 5.779 -6.810 1.00 0.00 N ATOM 602 CA SER A 41 -3.698 5.292 -8.153 1.00 0.00 C ATOM 603 C SER A 41 -2.550 4.288 -8.125 1.00 0.00 C ATOM 604 O SER A 41 -1.394 4.654 -7.905 1.00 0.00 O ATOM 605 CB SER A 41 -3.346 6.461 -9.075 1.00 0.00 C ATOM 606 OG SER A 41 -4.513 7.034 -9.640 1.00 0.00 O ATOM 0 H SER A 41 -3.497 6.630 -6.550 1.00 0.00 H new ATOM 0 HA SER A 41 -4.587 4.791 -8.536 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.800 7.219 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.685 6.115 -9.870 1.00 0.00 H new ATOM 0 HG SER A 41 -4.261 7.780 -10.224 1.00 0.00 H new ATOM 612 N LEU A 42 -2.876 3.020 -8.349 1.00 0.00 N ATOM 613 CA LEU A 42 -1.873 1.961 -8.351 1.00 0.00 C ATOM 614 C LEU A 42 -1.405 1.655 -9.770 1.00 0.00 C ATOM 615 O LEU A 42 -2.143 1.855 -10.734 1.00 0.00 O ATOM 616 CB LEU A 42 -2.439 0.695 -7.705 1.00 0.00 C ATOM 617 CG LEU A 42 -3.183 0.890 -6.383 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.770 -0.427 -5.901 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.255 1.480 -5.331 1.00 0.00 C ATOM 0 H LEU A 42 -3.827 2.700 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.016 2.306 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.118 0.222 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.617 -0.001 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.002 1.589 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.295 -0.268 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.468 -0.809 -6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.968 -1.150 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.801 1.612 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.415 0.805 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.884 2.446 -5.674 1.00 0.00 H new ATOM 631 N ALA A 43 -0.174 1.169 -9.889 1.00 0.00 N ATOM 632 CA ALA A 43 0.391 0.832 -11.190 1.00 0.00 C ATOM 633 C ALA A 43 1.428 -0.279 -11.067 1.00 0.00 C ATOM 634 O ALA A 43 2.363 -0.184 -10.273 1.00 0.00 O ATOM 635 CB ALA A 43 1.009 2.065 -11.832 1.00 0.00 C ATOM 0 H ALA A 43 0.451 1.000 -9.101 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.416 0.470 -11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.427 1.799 -12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.243 2.829 -11.964 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.800 2.452 -11.190 1.00 0.00 H new ATOM 641 N GLY A 44 1.256 -1.334 -11.859 1.00 0.00 N ATOM 642 CA GLY A 44 2.185 -2.448 -11.822 1.00 0.00 C ATOM 643 C GLY A 44 3.624 -2.011 -12.013 1.00 0.00 C ATOM 644 O GLY A 44 3.886 -0.925 -12.529 1.00 0.00 O ATOM 0 H GLY A 44 0.490 -1.436 -12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.089 -2.965 -10.867 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.920 -3.164 -12.600 1.00 0.00 H new ATOM 648 N ASN A 45 4.559 -2.858 -11.595 1.00 0.00 N ATOM 649 CA ASN A 45 5.979 -2.552 -11.722 1.00 0.00 C ATOM 650 C ASN A 45 6.390 -2.475 -13.189 1.00 0.00 C ATOM 651 O ASN A 45 6.012 -3.323 -13.997 1.00 0.00 O ATOM 652 CB ASN A 45 6.816 -3.609 -11.000 1.00 0.00 C ATOM 653 CG ASN A 45 8.299 -3.465 -11.283 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.817 -4.033 -12.245 1.00 0.00 O ATOM 655 ND2 ASN A 45 8.990 -2.702 -10.444 1.00 0.00 N ATOM 0 H ASN A 45 4.359 -3.761 -11.166 1.00 0.00 H new ATOM 0 HA ASN A 45 6.159 -1.580 -11.262 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.645 -3.533 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.485 -4.602 -11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.991 -2.568 -10.584 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.519 -2.250 -9.660 1.00 0.00 H new ATOM 662 N LYS A 46 7.169 -1.452 -13.527 1.00 0.00 N ATOM 663 CA LYS A 46 7.634 -1.264 -14.895 1.00 0.00 C ATOM 664 C LYS A 46 8.003 -2.600 -15.533 1.00 0.00 C ATOM 665 O LYS A 46 7.667 -2.860 -16.689 1.00 0.00 O ATOM 666 CB LYS A 46 8.842 -0.324 -14.920 1.00 0.00 C ATOM 667 CG LYS A 46 8.531 1.079 -14.430 1.00 0.00 C ATOM 668 CD LYS A 46 9.745 1.727 -13.785 1.00 0.00 C ATOM 669 CE LYS A 46 10.639 2.391 -14.821 1.00 0.00 C ATOM 670 NZ LYS A 46 9.946 3.513 -15.513 1.00 0.00 N ATOM 0 H LYS A 46 7.491 -0.741 -12.871 1.00 0.00 H new ATOM 0 HA LYS A 46 6.822 -0.819 -15.470 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.634 -0.748 -14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.227 -0.267 -15.938 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.192 1.691 -15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.713 1.041 -13.711 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.419 2.469 -13.056 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.315 0.974 -13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.541 2.765 -14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.955 1.651 -15.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.514 4.380 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.827 3.280 -16.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.013 3.664 -15.080 1.00 0.00 H new ATOM 684 N ASP A 47 8.694 -3.442 -14.773 1.00 0.00 N ATOM 685 CA ASP A 47 9.106 -4.752 -15.264 1.00 0.00 C ATOM 686 C ASP A 47 8.016 -5.792 -15.018 1.00 0.00 C ATOM 687 O ASP A 47 7.774 -6.194 -13.880 1.00 0.00 O ATOM 688 CB ASP A 47 10.406 -5.188 -14.587 1.00 0.00 C ATOM 689 CG ASP A 47 11.201 -6.163 -15.433 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.587 -7.086 -16.009 1.00 0.00 O ATOM 691 OD2 ASP A 47 12.437 -6.004 -15.519 1.00 0.00 O ATOM 0 H ASP A 47 8.981 -3.241 -13.815 1.00 0.00 H new ATOM 0 HA ASP A 47 9.273 -4.674 -16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.017 -4.309 -14.380 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.175 -5.649 -13.627 1.00 0.00 H new ATOM 696 N ARG A 48 7.362 -6.221 -16.093 1.00 0.00 N ATOM 697 CA ARG A 48 6.297 -7.211 -15.993 1.00 0.00 C ATOM 698 C ARG A 48 6.729 -8.389 -15.125 1.00 0.00 C ATOM 699 O ARG A 48 6.081 -8.710 -14.129 1.00 0.00 O ATOM 700 CB ARG A 48 5.902 -7.708 -17.385 1.00 0.00 C ATOM 701 CG ARG A 48 4.476 -8.229 -17.464 1.00 0.00 C ATOM 702 CD ARG A 48 4.009 -8.356 -18.906 1.00 0.00 C ATOM 703 NE ARG A 48 3.393 -7.125 -19.393 1.00 0.00 N ATOM 704 CZ ARG A 48 2.278 -6.611 -18.886 1.00 0.00 C ATOM 705 NH1 ARG A 48 1.660 -7.218 -17.883 1.00 0.00 N ATOM 706 NH2 ARG A 48 1.779 -5.486 -19.384 1.00 0.00 N ATOM 0 H ARG A 48 7.551 -5.899 -17.042 1.00 0.00 H new ATOM 0 HA ARG A 48 5.435 -6.735 -15.526 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.023 -6.894 -18.100 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.587 -8.501 -17.686 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.415 -9.200 -16.973 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.811 -7.556 -16.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.858 -8.612 -19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.294 -9.175 -18.984 1.00 0.00 H new ATOM 0 HE ARG A 48 3.843 -6.633 -20.165 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.040 -8.083 -17.498 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.804 -6.821 -17.496 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.252 -5.016 -20.156 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.923 -5.092 -18.995 1.00 0.00 H new ATOM 720 N SER A 49 7.828 -9.031 -15.510 1.00 0.00 N ATOM 721 CA SER A 49 8.344 -10.176 -14.770 1.00 0.00 C ATOM 722 C SER A 49 8.143 -9.988 -13.269 1.00 0.00 C ATOM 723 O SER A 49 7.836 -10.938 -12.549 1.00 0.00 O ATOM 724 CB SER A 49 9.830 -10.379 -15.075 1.00 0.00 C ATOM 725 OG SER A 49 10.012 -10.971 -16.350 1.00 0.00 O ATOM 0 H SER A 49 8.378 -8.777 -16.331 1.00 0.00 H new ATOM 0 HA SER A 49 7.791 -11.061 -15.085 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.346 -9.420 -15.039 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.279 -11.012 -14.309 1.00 0.00 H new ATOM 0 HG SER A 49 10.970 -11.089 -16.522 1.00 0.00 H new ATOM 731 N ARG A 50 8.318 -8.755 -12.805 1.00 0.00 N ATOM 732 CA ARG A 50 8.157 -8.441 -11.390 1.00 0.00 C ATOM 733 C ARG A 50 6.697 -8.144 -11.062 1.00 0.00 C ATOM 734 O ARG A 50 5.925 -7.737 -11.930 1.00 0.00 O ATOM 735 CB ARG A 50 9.030 -7.244 -11.009 1.00 0.00 C ATOM 736 CG ARG A 50 10.481 -7.609 -10.741 1.00 0.00 C ATOM 737 CD ARG A 50 11.271 -6.414 -10.233 1.00 0.00 C ATOM 738 NE ARG A 50 12.680 -6.738 -10.024 1.00 0.00 N ATOM 739 CZ ARG A 50 13.583 -5.857 -9.607 1.00 0.00 C ATOM 740 NH1 ARG A 50 13.226 -4.605 -9.356 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.846 -6.228 -9.440 1.00 0.00 N ATOM 0 H ARG A 50 8.571 -7.957 -13.388 1.00 0.00 H new ATOM 0 HA ARG A 50 8.472 -9.310 -10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.992 -6.507 -11.811 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.613 -6.770 -10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.525 -8.414 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.938 -7.986 -11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.190 -5.595 -10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.837 -6.064 -9.297 1.00 0.00 H new ATOM 0 HE ARG A 50 12.987 -7.693 -10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.256 -4.316 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.921 -3.931 -9.036 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.124 -7.190 -9.632 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.538 -5.551 -9.120 1.00 0.00 H new ATOM 755 N MET A 51 6.325 -8.352 -9.803 1.00 0.00 N ATOM 756 CA MET A 51 4.957 -8.106 -9.360 1.00 0.00 C ATOM 757 C MET A 51 4.941 -7.272 -8.083 1.00 0.00 C ATOM 758 O MET A 51 5.176 -7.789 -6.990 1.00 0.00 O ATOM 759 CB MET A 51 4.227 -9.431 -9.128 1.00 0.00 C ATOM 760 CG MET A 51 2.778 -9.260 -8.702 1.00 0.00 C ATOM 761 SD MET A 51 1.792 -8.383 -9.931 1.00 0.00 S ATOM 762 CE MET A 51 1.945 -9.484 -11.335 1.00 0.00 C ATOM 0 H MET A 51 6.951 -8.690 -9.072 1.00 0.00 H new ATOM 0 HA MET A 51 4.442 -7.549 -10.143 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.261 -10.020 -10.044 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.757 -10.000 -8.364 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.338 -10.241 -8.522 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.743 -8.716 -7.758 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.007 -9.497 -11.891 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.747 -9.135 -11.985 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.173 -10.491 -10.985 1.00 0.00 H new ATOM 772 N SER A 52 4.662 -5.981 -8.228 1.00 0.00 N ATOM 773 CA SER A 52 4.620 -5.075 -7.086 1.00 0.00 C ATOM 774 C SER A 52 3.606 -3.958 -7.316 1.00 0.00 C ATOM 775 O SER A 52 3.349 -3.563 -8.453 1.00 0.00 O ATOM 776 CB SER A 52 6.005 -4.477 -6.831 1.00 0.00 C ATOM 777 OG SER A 52 6.758 -5.292 -5.949 1.00 0.00 O ATOM 0 H SER A 52 4.462 -5.539 -9.125 1.00 0.00 H new ATOM 0 HA SER A 52 4.312 -5.647 -6.211 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.538 -4.369 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.901 -3.478 -6.408 1.00 0.00 H new ATOM 0 HG SER A 52 7.252 -4.725 -5.321 1.00 0.00 H new ATOM 783 N ILE A 53 3.033 -3.455 -6.227 1.00 0.00 N ATOM 784 CA ILE A 53 2.048 -2.384 -6.309 1.00 0.00 C ATOM 785 C ILE A 53 2.595 -1.088 -5.719 1.00 0.00 C ATOM 786 O ILE A 53 3.081 -1.065 -4.588 1.00 0.00 O ATOM 787 CB ILE A 53 0.746 -2.759 -5.577 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.180 -4.066 -6.136 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.274 -1.637 -5.702 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.735 -4.789 -5.172 1.00 0.00 C ATOM 0 H ILE A 53 3.234 -3.772 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 53 1.830 -2.236 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 53 0.969 -2.904 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.368 -3.852 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.006 -4.725 -6.404 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.189 -1.917 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.131 -0.726 -5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.496 -1.463 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.099 -5.706 -5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.185 -5.034 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.581 -4.148 -4.923 1.00 0.00 H new ATOM 802 N PHE A 54 2.510 -0.011 -6.492 1.00 0.00 N ATOM 803 CA PHE A 54 2.996 1.290 -6.046 1.00 0.00 C ATOM 804 C PHE A 54 1.871 2.322 -6.052 1.00 0.00 C ATOM 805 O PHE A 54 0.758 2.040 -6.495 1.00 0.00 O ATOM 806 CB PHE A 54 4.143 1.765 -6.941 1.00 0.00 C ATOM 807 CG PHE A 54 5.312 0.822 -6.967 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.113 0.659 -5.849 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.609 0.098 -8.111 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.189 -0.208 -5.870 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.684 -0.770 -8.138 1.00 0.00 C ATOM 812 CZ PHE A 54 7.476 -0.923 -7.016 1.00 0.00 C ATOM 0 H PHE A 54 2.109 -0.013 -7.430 1.00 0.00 H new ATOM 0 HA PHE A 54 3.362 1.182 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.770 1.897 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.482 2.742 -6.596 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.894 1.216 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.994 0.213 -8.991 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.805 -0.326 -4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.905 -1.328 -9.036 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.317 -1.600 -7.035 1.00 0.00 H new ATOM 822 N VAL A 55 2.171 3.518 -5.556 1.00 0.00 N ATOM 823 CA VAL A 55 1.187 4.592 -5.504 1.00 0.00 C ATOM 824 C VAL A 55 1.624 5.780 -6.354 1.00 0.00 C ATOM 825 O VAL A 55 2.378 6.640 -5.898 1.00 0.00 O ATOM 826 CB VAL A 55 0.952 5.069 -4.059 1.00 0.00 C ATOM 827 CG1 VAL A 55 -0.050 6.213 -4.030 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.480 3.914 -3.188 1.00 0.00 C ATOM 0 H VAL A 55 3.088 3.767 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 55 0.256 4.187 -5.901 1.00 0.00 H new ATOM 0 HB VAL A 55 1.897 5.436 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.203 6.537 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.332 7.047 -4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.998 5.877 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.319 4.268 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.453 3.516 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.236 3.129 -3.183 1.00 0.00 H new ATOM 838 N VAL A 56 1.146 5.822 -7.594 1.00 0.00 N ATOM 839 CA VAL A 56 1.486 6.905 -8.508 1.00 0.00 C ATOM 840 C VAL A 56 0.429 8.004 -8.476 1.00 0.00 C ATOM 841 O VAL A 56 0.283 8.768 -9.429 1.00 0.00 O ATOM 842 CB VAL A 56 1.635 6.394 -9.954 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.582 5.205 -10.005 1.00 0.00 C ATOM 844 CG2 VAL A 56 0.276 6.029 -10.531 1.00 0.00 C ATOM 0 H VAL A 56 0.522 5.118 -7.988 1.00 0.00 H new ATOM 0 HA VAL A 56 2.440 7.312 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 56 2.060 7.192 -10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.675 4.858 -11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.562 5.504 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.189 4.400 -9.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.399 5.670 -11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.179 5.246 -9.924 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.368 6.909 -10.531 1.00 0.00 H new ATOM 854 N GLY A 57 -0.306 8.078 -7.370 1.00 0.00 N ATOM 855 CA GLY A 57 -1.340 9.087 -7.234 1.00 0.00 C ATOM 856 C GLY A 57 -2.176 8.895 -5.984 1.00 0.00 C ATOM 857 O GLY A 57 -2.390 7.767 -5.540 1.00 0.00 O ATOM 0 H GLY A 57 -0.204 7.458 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.879 10.074 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.989 9.058 -8.109 1.00 0.00 H new ATOM 861 N ILE A 58 -2.647 9.999 -5.414 1.00 0.00 N ATOM 862 CA ILE A 58 -3.463 9.947 -4.207 1.00 0.00 C ATOM 863 C ILE A 58 -4.717 10.801 -4.354 1.00 0.00 C ATOM 864 O ILE A 58 -4.666 12.023 -4.222 1.00 0.00 O ATOM 865 CB ILE A 58 -2.673 10.421 -2.973 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.461 9.519 -2.737 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.572 10.441 -1.745 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.538 10.018 -1.648 1.00 0.00 C ATOM 0 H ILE A 58 -2.478 10.940 -5.769 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.751 8.905 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.317 11.435 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.808 8.519 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.898 9.430 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.000 10.778 -0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.406 11.122 -1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.955 9.438 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.299 9.329 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.161 11.006 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.085 10.080 -0.707 1.00 0.00 H new ATOM 880 N ASN A 59 -5.842 10.149 -4.625 1.00 0.00 N ATOM 881 CA ASN A 59 -7.111 10.849 -4.789 1.00 0.00 C ATOM 882 C ASN A 59 -7.292 11.908 -3.706 1.00 0.00 C ATOM 883 O ASN A 59 -7.273 11.618 -2.509 1.00 0.00 O ATOM 884 CB ASN A 59 -8.275 9.856 -4.746 1.00 0.00 C ATOM 885 CG ASN A 59 -9.492 10.358 -5.498 1.00 0.00 C ATOM 886 OD1 ASN A 59 -9.372 10.933 -6.580 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.671 10.142 -4.927 1.00 0.00 N ATOM 0 H ASN A 59 -5.901 9.137 -4.736 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.101 11.345 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.954 8.906 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.547 9.664 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.525 10.457 -5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.722 9.661 -4.029 1.00 0.00 H new ATOM 894 N PRO A 60 -7.472 13.166 -4.133 1.00 0.00 N ATOM 895 CA PRO A 60 -7.661 14.294 -3.216 1.00 0.00 C ATOM 896 C PRO A 60 -9.006 14.241 -2.500 1.00 0.00 C ATOM 897 O PRO A 60 -9.220 14.938 -1.509 1.00 0.00 O ATOM 898 CB PRO A 60 -7.594 15.515 -4.137 1.00 0.00 C ATOM 899 CG PRO A 60 -8.002 15.003 -5.476 1.00 0.00 C ATOM 900 CD PRO A 60 -7.507 13.585 -5.545 1.00 0.00 C ATOM 0 HA PRO A 60 -6.916 14.301 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.262 16.306 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.589 15.936 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.084 15.045 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.569 15.607 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.173 12.955 -6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.521 13.526 -6.006 1.00 0.00 H new ATOM 908 N GLU A 61 -9.910 13.409 -3.009 1.00 0.00 N ATOM 909 CA GLU A 61 -11.234 13.265 -2.417 1.00 0.00 C ATOM 910 C GLU A 61 -11.260 12.116 -1.413 1.00 0.00 C ATOM 911 O GLU A 61 -12.093 12.087 -0.508 1.00 0.00 O ATOM 912 CB GLU A 61 -12.282 13.028 -3.507 1.00 0.00 C ATOM 913 CG GLU A 61 -12.349 14.141 -4.539 1.00 0.00 C ATOM 914 CD GLU A 61 -13.332 13.844 -5.655 1.00 0.00 C ATOM 915 OE1 GLU A 61 -14.495 13.509 -5.346 1.00 0.00 O ATOM 916 OE2 GLU A 61 -12.938 13.945 -6.835 1.00 0.00 O ATOM 0 H GLU A 61 -9.749 12.825 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.470 14.190 -1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.062 12.088 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.261 12.917 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.634 15.071 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.358 14.297 -4.965 1.00 0.00 H new ATOM 923 N GLY A 62 -10.341 11.170 -1.581 1.00 0.00 N ATOM 924 CA GLY A 62 -10.276 10.032 -0.683 1.00 0.00 C ATOM 925 C GLY A 62 -9.639 10.379 0.648 1.00 0.00 C ATOM 926 O GLY A 62 -9.233 11.516 0.888 1.00 0.00 O ATOM 0 H GLY A 62 -9.641 11.171 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.283 9.650 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.708 9.231 -1.157 1.00 0.00 H new ATOM 930 N PRO A 63 -9.548 9.383 1.542 1.00 0.00 N ATOM 931 CA PRO A 63 -8.959 9.565 2.872 1.00 0.00 C ATOM 932 C PRO A 63 -7.451 9.782 2.813 1.00 0.00 C ATOM 933 O PRO A 63 -6.921 10.695 3.445 1.00 0.00 O ATOM 934 CB PRO A 63 -9.283 8.250 3.586 1.00 0.00 C ATOM 935 CG PRO A 63 -9.435 7.252 2.491 1.00 0.00 C ATOM 936 CD PRO A 63 -10.013 8.003 1.323 1.00 0.00 C ATOM 0 HA PRO A 63 -9.353 10.448 3.376 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.486 7.966 4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.196 8.334 4.175 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.474 6.807 2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.092 6.437 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.657 7.605 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.101 7.943 1.306 1.00 0.00 H new ATOM 944 N ALA A 64 -6.765 8.937 2.050 1.00 0.00 N ATOM 945 CA ALA A 64 -5.318 9.039 1.907 1.00 0.00 C ATOM 946 C ALA A 64 -4.883 10.492 1.751 1.00 0.00 C ATOM 947 O ALA A 64 -3.797 10.874 2.186 1.00 0.00 O ATOM 948 CB ALA A 64 -4.846 8.214 0.719 1.00 0.00 C ATOM 0 H ALA A 64 -7.188 8.174 1.521 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.859 8.645 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.764 8.299 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.116 7.169 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.320 8.582 -0.191 1.00 0.00 H new ATOM 954 N ALA A 65 -5.736 11.297 1.126 1.00 0.00 N ATOM 955 CA ALA A 65 -5.439 12.708 0.914 1.00 0.00 C ATOM 956 C ALA A 65 -5.805 13.536 2.141 1.00 0.00 C ATOM 957 O ALA A 65 -5.117 14.499 2.479 1.00 0.00 O ATOM 958 CB ALA A 65 -6.177 13.224 -0.312 1.00 0.00 C ATOM 0 H ALA A 65 -6.638 10.996 0.758 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.366 12.807 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.946 14.279 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.864 12.659 -1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.251 13.104 -0.167 1.00 0.00 H new ATOM 964 N ALA A 66 -6.892 13.156 2.804 1.00 0.00 N ATOM 965 CA ALA A 66 -7.349 13.863 3.994 1.00 0.00 C ATOM 966 C ALA A 66 -6.329 13.752 5.122 1.00 0.00 C ATOM 967 O ALA A 66 -5.901 14.760 5.686 1.00 0.00 O ATOM 968 CB ALA A 66 -8.698 13.322 4.444 1.00 0.00 C ATOM 0 H ALA A 66 -7.473 12.362 2.537 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.460 14.917 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.027 13.859 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.429 13.458 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.606 12.261 4.674 1.00 0.00 H new ATOM 974 N ASP A 67 -5.944 12.523 5.448 1.00 0.00 N ATOM 975 CA ASP A 67 -4.974 12.281 6.509 1.00 0.00 C ATOM 976 C ASP A 67 -3.671 13.026 6.235 1.00 0.00 C ATOM 977 O ASP A 67 -3.055 13.576 7.147 1.00 0.00 O ATOM 978 CB ASP A 67 -4.700 10.783 6.647 1.00 0.00 C ATOM 979 CG ASP A 67 -4.264 10.400 8.048 1.00 0.00 C ATOM 980 OD1 ASP A 67 -4.210 11.295 8.918 1.00 0.00 O ATOM 981 OD2 ASP A 67 -3.978 9.206 8.275 1.00 0.00 O ATOM 0 H ASP A 67 -6.289 11.678 4.992 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.395 12.653 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.600 10.227 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.927 10.491 5.937 1.00 0.00 H new ATOM 986 N GLY A 68 -3.257 13.038 4.971 1.00 0.00 N ATOM 987 CA GLY A 68 -2.029 13.717 4.600 1.00 0.00 C ATOM 988 C GLY A 68 -0.792 12.938 5.002 1.00 0.00 C ATOM 989 O GLY A 68 0.182 13.515 5.485 1.00 0.00 O ATOM 0 H GLY A 68 -3.750 12.590 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.018 13.879 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.004 14.700 5.070 1.00 0.00 H new ATOM 993 N ARG A 69 -0.831 11.625 4.803 1.00 0.00 N ATOM 994 CA ARG A 69 0.295 10.766 5.151 1.00 0.00 C ATOM 995 C ARG A 69 0.837 10.054 3.915 1.00 0.00 C ATOM 996 O ARG A 69 1.980 10.269 3.515 1.00 0.00 O ATOM 997 CB ARG A 69 -0.127 9.738 6.202 1.00 0.00 C ATOM 998 CG ARG A 69 -0.433 10.346 7.561 1.00 0.00 C ATOM 999 CD ARG A 69 -0.316 9.315 8.672 1.00 0.00 C ATOM 1000 NE ARG A 69 -1.557 8.569 8.860 1.00 0.00 N ATOM 1001 CZ ARG A 69 -1.842 7.881 9.960 1.00 0.00 C ATOM 1002 NH1 ARG A 69 -0.978 7.845 10.966 1.00 0.00 N ATOM 1003 NH2 ARG A 69 -2.993 7.228 10.057 1.00 0.00 N ATOM 0 H ARG A 69 -1.630 11.133 4.403 1.00 0.00 H new ATOM 0 HA ARG A 69 1.085 11.393 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.009 9.207 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.667 8.999 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.253 11.170 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.440 10.764 7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.492 8.621 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.049 9.815 9.603 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.243 8.577 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.092 8.346 10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.199 7.316 11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.661 7.254 9.286 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.210 6.700 10.902 1.00 0.00 H new ATOM 1017 N MET A 70 0.008 9.204 3.317 1.00 0.00 N ATOM 1018 CA MET A 70 0.405 8.461 2.127 1.00 0.00 C ATOM 1019 C MET A 70 0.992 9.394 1.073 1.00 0.00 C ATOM 1020 O MET A 70 0.503 10.506 0.874 1.00 0.00 O ATOM 1021 CB MET A 70 -0.794 7.708 1.547 1.00 0.00 C ATOM 1022 CG MET A 70 -0.904 6.272 2.035 1.00 0.00 C ATOM 1023 SD MET A 70 -1.635 5.175 0.805 1.00 0.00 S ATOM 1024 CE MET A 70 -0.164 4.514 0.025 1.00 0.00 C ATOM 0 H MET A 70 -0.942 9.013 3.637 1.00 0.00 H new ATOM 0 HA MET A 70 1.171 7.742 2.417 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.708 8.242 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.722 7.709 0.459 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.088 5.905 2.300 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.506 6.246 2.943 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.411 3.586 -0.491 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.223 5.237 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.593 4.316 0.784 1.00 0.00 H new ATOM 1034 N ARG A 71 2.043 8.935 0.402 1.00 0.00 N ATOM 1035 CA ARG A 71 2.698 9.730 -0.630 1.00 0.00 C ATOM 1036 C ARG A 71 2.902 8.910 -1.901 1.00 0.00 C ATOM 1037 O ARG A 71 2.679 7.699 -1.912 1.00 0.00 O ATOM 1038 CB ARG A 71 4.044 10.251 -0.125 1.00 0.00 C ATOM 1039 CG ARG A 71 3.922 11.252 1.012 1.00 0.00 C ATOM 1040 CD ARG A 71 3.802 12.675 0.490 1.00 0.00 C ATOM 1041 NE ARG A 71 2.534 12.900 -0.199 1.00 0.00 N ATOM 1042 CZ ARG A 71 2.347 13.858 -1.100 1.00 0.00 C ATOM 1043 NH1 ARG A 71 3.341 14.675 -1.420 1.00 0.00 N ATOM 1044 NH2 ARG A 71 1.164 13.999 -1.685 1.00 0.00 N ATOM 0 H ARG A 71 2.459 8.016 0.554 1.00 0.00 H new ATOM 0 HA ARG A 71 2.053 10.577 -0.864 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.649 9.407 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.577 10.718 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.049 11.011 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.793 11.174 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.892 13.375 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.627 12.882 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 71 1.749 12.288 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.252 14.569 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.195 15.410 -2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.397 13.371 -1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.022 14.735 -2.377 1.00 0.00 H new ATOM 1058 N ILE A 72 3.326 9.578 -2.968 1.00 0.00 N ATOM 1059 CA ILE A 72 3.560 8.911 -4.243 1.00 0.00 C ATOM 1060 C ILE A 72 4.863 8.120 -4.218 1.00 0.00 C ATOM 1061 O ILE A 72 5.915 8.647 -3.858 1.00 0.00 O ATOM 1062 CB ILE A 72 3.607 9.919 -5.406 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.445 10.909 -5.298 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.567 9.190 -6.741 1.00 0.00 C ATOM 1065 CD1 ILE A 72 1.125 10.256 -4.951 1.00 0.00 C ATOM 0 H ILE A 72 3.515 10.580 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 72 2.725 8.228 -4.399 1.00 0.00 H new ATOM 0 HB ILE A 72 4.542 10.477 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.683 11.655 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.341 11.439 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.601 9.916 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.424 8.521 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.647 8.610 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.347 11.017 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.864 9.531 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.211 9.749 -3.990 1.00 0.00 H new ATOM 1077 N GLY A 73 4.786 6.850 -4.605 1.00 0.00 N ATOM 1078 CA GLY A 73 5.967 6.007 -4.622 1.00 0.00 C ATOM 1079 C GLY A 73 5.874 4.859 -3.636 1.00 0.00 C ATOM 1080 O GLY A 73 6.537 3.835 -3.801 1.00 0.00 O ATOM 0 H GLY A 73 3.927 6.390 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.111 5.609 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.844 6.611 -4.390 1.00 0.00 H new ATOM 1084 N ASP A 74 5.050 5.029 -2.608 1.00 0.00 N ATOM 1085 CA ASP A 74 4.872 3.999 -1.591 1.00 0.00 C ATOM 1086 C ASP A 74 4.498 2.665 -2.229 1.00 0.00 C ATOM 1087 O ASP A 74 3.670 2.611 -3.137 1.00 0.00 O ATOM 1088 CB ASP A 74 3.795 4.420 -0.591 1.00 0.00 C ATOM 1089 CG ASP A 74 4.240 5.572 0.289 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.234 5.405 1.027 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.595 6.640 0.239 1.00 0.00 O ATOM 0 H ASP A 74 4.494 5.871 -2.457 1.00 0.00 H new ATOM 0 HA ASP A 74 5.818 3.877 -1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.893 4.707 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.533 3.568 0.036 1.00 0.00 H new ATOM 1096 N GLU A 75 5.116 1.591 -1.748 1.00 0.00 N ATOM 1097 CA GLU A 75 4.849 0.257 -2.273 1.00 0.00 C ATOM 1098 C GLU A 75 4.047 -0.571 -1.273 1.00 0.00 C ATOM 1099 O GLU A 75 4.590 -1.069 -0.285 1.00 0.00 O ATOM 1100 CB GLU A 75 6.161 -0.456 -2.607 1.00 0.00 C ATOM 1101 CG GLU A 75 5.973 -1.893 -3.064 1.00 0.00 C ATOM 1102 CD GLU A 75 7.278 -2.553 -3.466 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.021 -2.997 -2.567 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.555 -2.625 -4.682 1.00 0.00 O ATOM 0 H GLU A 75 5.805 1.619 -0.996 1.00 0.00 H new ATOM 0 HA GLU A 75 4.260 0.364 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.678 0.100 -3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.805 -0.444 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.512 -2.468 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.284 -1.915 -3.908 1.00 0.00 H new ATOM 1111 N LEU A 76 2.753 -0.714 -1.534 1.00 0.00 N ATOM 1112 CA LEU A 76 1.875 -1.481 -0.658 1.00 0.00 C ATOM 1113 C LEU A 76 2.395 -2.903 -0.475 1.00 0.00 C ATOM 1114 O LEU A 76 2.863 -3.531 -1.425 1.00 0.00 O ATOM 1115 CB LEU A 76 0.455 -1.514 -1.227 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.286 -0.177 -1.261 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.529 -0.277 -2.132 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.654 0.264 0.148 1.00 0.00 C ATOM 0 H LEU A 76 2.288 -0.308 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 76 1.858 -0.992 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.501 -1.907 -2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.134 -2.218 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 76 0.376 0.573 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.043 0.684 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.241 -0.547 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.195 -1.040 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.181 1.217 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.298 -0.486 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.253 0.377 0.742 1.00 0.00 H new ATOM 1130 N LEU A 77 2.308 -3.406 0.752 1.00 0.00 N ATOM 1131 CA LEU A 77 2.768 -4.756 1.059 1.00 0.00 C ATOM 1132 C LEU A 77 1.640 -5.593 1.652 1.00 0.00 C ATOM 1133 O LEU A 77 1.508 -6.778 1.347 1.00 0.00 O ATOM 1134 CB LEU A 77 3.947 -4.704 2.033 1.00 0.00 C ATOM 1135 CG LEU A 77 5.141 -3.854 1.598 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.984 -3.462 2.802 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.983 -4.601 0.575 1.00 0.00 C ATOM 0 H LEU A 77 1.924 -2.900 1.550 1.00 0.00 H new ATOM 0 HA LEU A 77 3.093 -5.224 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.586 -4.325 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.295 -5.722 2.205 1.00 0.00 H new ATOM 0 HG LEU A 77 4.764 -2.943 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.829 -2.857 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.376 -2.886 3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.352 -4.361 3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.828 -3.981 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.351 -5.529 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.374 -4.830 -0.300 1.00 0.00 H new ATOM 1149 N GLU A 78 0.828 -4.969 2.499 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.290 -5.657 3.134 1.00 0.00 C ATOM 1151 C GLU A 78 -1.464 -4.706 3.347 1.00 0.00 C ATOM 1152 O GLU A 78 -1.276 -3.503 3.532 1.00 0.00 O ATOM 1153 CB GLU A 78 0.145 -6.257 4.472 1.00 0.00 C ATOM 1154 CG GLU A 78 1.380 -7.136 4.372 1.00 0.00 C ATOM 1155 CD GLU A 78 1.545 -8.049 5.572 1.00 0.00 C ATOM 1156 OE1 GLU A 78 0.558 -8.241 6.312 1.00 0.00 O ATOM 1157 OE2 GLU A 78 2.662 -8.572 5.770 1.00 0.00 O ATOM 0 H GLU A 78 0.923 -3.988 2.762 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.612 -6.461 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.341 -5.449 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.677 -6.845 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.319 -7.740 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.264 -6.505 4.276 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.674 -5.254 3.320 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.878 -4.456 3.512 1.00 0.00 C ATOM 1166 C ILE A 79 -4.988 -5.279 4.157 1.00 0.00 C ATOM 1167 O ILE A 79 -5.511 -6.215 3.554 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.391 -3.881 2.178 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.435 -2.805 1.660 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.793 -3.315 2.349 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.848 -2.220 0.327 1.00 0.00 C ATOM 0 H ILE A 79 -2.846 -6.248 3.167 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.608 -3.633 4.174 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.433 -4.686 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.371 -2.003 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.437 -3.232 1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.141 -2.913 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.467 -4.106 2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.776 -2.520 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.125 -1.464 0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.884 -3.011 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.833 -1.763 0.420 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.342 -4.923 5.388 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.390 -5.629 6.116 1.00 0.00 C ATOM 1185 C ASN A 80 -5.980 -7.070 6.400 1.00 0.00 C ATOM 1186 O ASN A 80 -6.760 -8.000 6.199 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.697 -5.606 5.319 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.872 -6.132 6.121 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.355 -7.239 5.882 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.337 -5.338 7.078 1.00 0.00 N ATOM 0 H ASN A 80 -4.919 -4.150 5.902 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.543 -5.120 7.068 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.907 -4.585 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.579 -6.205 4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.126 -5.638 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.905 -4.428 7.241 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.749 -7.248 6.869 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.234 -8.576 7.181 1.00 0.00 C ATOM 1199 C ASN A 81 -4.188 -9.449 5.930 1.00 0.00 C ATOM 1200 O ASN A 81 -4.571 -10.619 5.964 1.00 0.00 O ATOM 1201 CB ASN A 81 -5.101 -9.244 8.251 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.635 -8.918 9.657 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -4.210 -7.798 9.939 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -4.713 -9.900 10.548 1.00 0.00 N ATOM 0 H ASN A 81 -4.090 -6.489 7.041 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.219 -8.465 7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.135 -8.922 8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.084 -10.324 8.107 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.414 -9.741 11.510 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.072 -10.813 10.270 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.717 -8.873 4.830 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.621 -9.599 3.569 1.00 0.00 C ATOM 1213 C GLN A 82 -2.389 -9.164 2.783 1.00 0.00 C ATOM 1214 O GLN A 82 -2.265 -8.002 2.396 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.881 -9.375 2.730 1.00 0.00 C ATOM 1216 CG GLN A 82 -6.080 -10.177 3.208 1.00 0.00 C ATOM 1217 CD GLN A 82 -6.168 -11.541 2.554 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -5.714 -12.541 3.112 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -6.755 -11.591 1.363 1.00 0.00 N ATOM 0 H GLN A 82 -3.396 -7.906 4.786 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.528 -10.661 3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.134 -8.315 2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.669 -9.637 1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.022 -10.300 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.992 -9.619 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.117 -10.738 0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.843 -12.482 0.875 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.479 -10.105 2.550 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.257 -9.819 1.810 1.00 0.00 C ATOM 1230 C ILE A 83 -0.537 -9.689 0.316 1.00 0.00 C ATOM 1231 O ILE A 83 -1.131 -10.578 -0.295 1.00 0.00 O ATOM 1232 CB ILE A 83 0.803 -10.914 2.029 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.077 -11.099 3.523 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.086 -10.565 1.289 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.207 -12.060 3.816 1.00 0.00 C ATOM 0 H ILE A 83 -1.566 -11.072 2.863 1.00 0.00 H new ATOM 0 HA ILE A 83 0.127 -8.872 2.189 1.00 0.00 H new ATOM 0 HB ILE A 83 0.420 -11.854 1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.312 -10.130 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.170 -11.459 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.826 -11.349 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.879 -10.480 0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.474 -9.616 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.345 -12.142 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.966 -13.041 3.405 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.126 -11.691 3.360 1.00 0.00 H new ATOM 1247 N LEU A 84 -0.103 -8.576 -0.266 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.305 -8.330 -1.690 1.00 0.00 C ATOM 1249 C LEU A 84 0.952 -8.669 -2.485 1.00 0.00 C ATOM 1250 O LEU A 84 0.882 -8.975 -3.675 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.691 -6.868 -1.925 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.678 -6.266 -0.924 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.746 -4.755 -1.084 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -3.058 -6.885 -1.098 1.00 0.00 C ATOM 0 H LEU A 84 0.390 -7.831 0.225 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.115 -8.974 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.218 -6.267 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.119 -6.782 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.326 -6.489 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.453 -4.344 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.759 -4.326 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.074 -4.511 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.748 -6.445 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.418 -6.693 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.998 -7.961 -0.932 1.00 0.00 H new ATOM 1266 N TYR A 85 2.100 -8.615 -1.818 1.00 0.00 N ATOM 1267 CA TYR A 85 3.373 -8.917 -2.462 1.00 0.00 C ATOM 1268 C TYR A 85 3.240 -10.115 -3.397 1.00 0.00 C ATOM 1269 O TYR A 85 3.270 -11.264 -2.961 1.00 0.00 O ATOM 1270 CB TYR A 85 4.448 -9.194 -1.410 1.00 0.00 C ATOM 1271 CG TYR A 85 5.819 -9.444 -1.996 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.193 -10.712 -2.423 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.741 -8.412 -2.122 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.445 -10.946 -2.958 1.00 0.00 C ATOM 1275 CE2 TYR A 85 7.994 -8.636 -2.658 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.341 -9.904 -3.074 1.00 0.00 C ATOM 1277 OH TYR A 85 9.590 -10.131 -3.607 1.00 0.00 O ATOM 0 H TYR A 85 2.175 -8.365 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 85 3.667 -8.049 -3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.503 -8.346 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.151 -10.060 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.493 -11.529 -2.335 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.473 -7.418 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.720 -11.938 -3.283 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.698 -7.822 -2.751 1.00 0.00 H new ATOM 0 HH TYR A 85 10.098 -9.293 -3.619 1.00 0.00 H new ATOM 1287 N GLY A 86 3.093 -9.835 -4.689 1.00 0.00 N ATOM 1288 CA GLY A 86 2.958 -10.899 -5.667 1.00 0.00 C ATOM 1289 C GLY A 86 1.563 -10.970 -6.258 1.00 0.00 C ATOM 1290 O GLY A 86 1.088 -12.048 -6.615 1.00 0.00 O ATOM 0 H GLY A 86 3.065 -8.891 -5.075 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.681 -10.746 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.199 -11.853 -5.198 1.00 0.00 H new ATOM 1294 N ARG A 87 0.906 -9.819 -6.359 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.444 -9.756 -6.907 1.00 0.00 C ATOM 1296 C ARG A 87 -0.646 -8.473 -7.707 1.00 0.00 C ATOM 1297 O ARG A 87 0.021 -7.467 -7.465 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.478 -9.838 -5.783 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.495 -11.178 -5.068 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.370 -11.135 -3.825 1.00 0.00 C ATOM 1301 NE ARG A 87 -2.004 -12.169 -2.861 1.00 0.00 N ATOM 1302 CZ ARG A 87 -2.408 -13.432 -2.949 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -3.186 -13.814 -3.951 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -2.032 -14.315 -2.032 1.00 0.00 N ATOM 0 H ARG A 87 1.286 -8.918 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.578 -10.606 -7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.276 -9.051 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.468 -9.644 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.862 -11.949 -5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.479 -11.456 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.284 -10.155 -3.355 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.414 -11.261 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.406 -11.908 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.476 -13.138 -4.657 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.494 -14.784 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.433 -14.024 -1.259 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.342 -15.284 -2.100 1.00 0.00 H new ATOM 1318 N SER A 88 -1.570 -8.516 -8.662 1.00 0.00 N ATOM 1319 CA SER A 88 -1.857 -7.358 -9.501 1.00 0.00 C ATOM 1320 C SER A 88 -2.573 -6.273 -8.702 1.00 0.00 C ATOM 1321 O SER A 88 -3.447 -6.563 -7.884 1.00 0.00 O ATOM 1322 CB SER A 88 -2.711 -7.771 -10.701 1.00 0.00 C ATOM 1323 OG SER A 88 -3.023 -6.652 -11.514 1.00 0.00 O ATOM 0 H SER A 88 -2.132 -9.340 -8.874 1.00 0.00 H new ATOM 0 HA SER A 88 -0.910 -6.956 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.178 -8.516 -11.291 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.631 -8.239 -10.352 1.00 0.00 H new ATOM 0 HG SER A 88 -3.568 -6.942 -12.275 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.197 -5.022 -8.946 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.803 -3.892 -8.251 1.00 0.00 C ATOM 1331 C HIS A 89 -4.311 -4.082 -8.116 1.00 0.00 C ATOM 1332 O HIS A 89 -4.867 -3.947 -7.027 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.506 -2.589 -8.995 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.927 -2.611 -10.432 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -4.161 -2.169 -10.861 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -2.270 -3.023 -11.541 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -4.245 -2.310 -12.172 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -3.111 -2.826 -12.609 1.00 0.00 N ATOM 0 H HIS A 89 -1.476 -4.765 -9.620 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.370 -3.838 -7.252 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.013 -1.767 -8.489 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.437 -2.385 -8.941 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.271 -3.431 -11.579 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.096 -2.048 -12.782 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.895 -3.043 -13.582 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.965 -4.395 -9.230 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.408 -4.602 -9.236 1.00 0.00 C ATOM 1349 C GLN A 90 -6.845 -5.423 -8.027 1.00 0.00 C ATOM 1350 O GLN A 90 -7.857 -5.125 -7.395 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.839 -5.301 -10.526 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.973 -4.360 -11.713 1.00 0.00 C ATOM 1353 CD GLN A 90 -7.130 -5.099 -13.027 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -7.872 -6.077 -13.118 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -6.431 -4.632 -14.056 1.00 0.00 N ATOM 0 H GLN A 90 -4.518 -4.511 -10.140 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.890 -3.626 -9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.113 -6.077 -10.769 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.794 -5.799 -10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.834 -3.709 -11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.094 -3.718 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.828 -3.818 -13.936 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.497 -5.087 -14.966 1.00 0.00 H new ATOM 1364 N ASN A 91 -6.074 -6.459 -7.713 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.382 -7.325 -6.580 1.00 0.00 C ATOM 1366 C ASN A 91 -6.439 -6.524 -5.283 1.00 0.00 C ATOM 1367 O ASN A 91 -7.440 -6.552 -4.567 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.337 -8.436 -6.462 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.385 -9.402 -7.631 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -5.152 -9.018 -8.777 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -5.688 -10.663 -7.344 1.00 0.00 N ATOM 0 H ASN A 91 -5.232 -6.719 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.361 -7.773 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.344 -7.992 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.497 -8.985 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.735 -11.358 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.874 -10.936 -6.379 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.357 -5.811 -4.987 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.284 -5.000 -3.778 1.00 0.00 C ATOM 1380 C ALA A 92 -6.603 -4.278 -3.521 1.00 0.00 C ATOM 1381 O ALA A 92 -7.232 -4.467 -2.480 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.143 -3.999 -3.882 1.00 0.00 C ATOM 0 H ALA A 92 -4.519 -5.779 -5.568 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.094 -5.664 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.100 -3.400 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.201 -4.533 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.309 -3.346 -4.739 1.00 0.00 H new ATOM 1388 N SER A 93 -7.014 -3.450 -4.476 1.00 0.00 N ATOM 1389 CA SER A 93 -8.256 -2.696 -4.350 1.00 0.00 C ATOM 1390 C SER A 93 -9.399 -3.602 -3.904 1.00 0.00 C ATOM 1391 O SER A 93 -10.168 -3.255 -3.008 1.00 0.00 O ATOM 1392 CB SER A 93 -8.608 -2.028 -5.681 1.00 0.00 C ATOM 1393 OG SER A 93 -9.913 -1.476 -5.644 1.00 0.00 O ATOM 0 H SER A 93 -6.506 -3.284 -5.345 1.00 0.00 H new ATOM 0 HA SER A 93 -8.110 -1.926 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.884 -1.244 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.541 -2.758 -6.487 1.00 0.00 H new ATOM 0 HG SER A 93 -10.114 -1.054 -6.505 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.505 -4.766 -4.537 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.552 -5.724 -4.205 1.00 0.00 C ATOM 1401 C ALA A 94 -10.585 -6.005 -2.707 1.00 0.00 C ATOM 1402 O ALA A 94 -11.640 -5.941 -2.077 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.351 -7.016 -4.982 1.00 0.00 C ATOM 0 H ALA A 94 -8.878 -5.068 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.511 -5.289 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.140 -7.722 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.386 -6.807 -6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.382 -7.446 -4.728 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.423 -6.317 -2.143 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.319 -6.608 -0.718 1.00 0.00 C ATOM 1411 C ILE A 95 -9.874 -5.460 0.118 1.00 0.00 C ATOM 1412 O ILE A 95 -10.543 -5.681 1.128 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.860 -6.873 -0.302 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.290 -8.056 -1.088 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.775 -7.134 1.194 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.782 -8.153 -1.024 1.00 0.00 C ATOM 0 H ILE A 95 -8.540 -6.375 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.908 -7.506 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.266 -5.988 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.722 -8.980 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.597 -7.971 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.738 -7.320 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.147 -6.265 1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.380 -8.005 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.448 -9.014 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.341 -7.245 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.469 -8.270 0.013 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.593 -4.234 -0.309 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.066 -3.051 0.399 1.00 0.00 C ATOM 1430 C ILE A 96 -11.588 -2.956 0.354 1.00 0.00 C ATOM 1431 O ILE A 96 -12.235 -2.706 1.371 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.465 -1.762 -0.193 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.943 -1.767 -0.040 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.067 -0.539 0.482 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.243 -0.760 -0.926 1.00 0.00 C ATOM 0 H ILE A 96 -9.040 -4.034 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.740 -3.152 1.434 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.704 -1.721 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.690 -1.562 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.566 -2.764 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.633 0.364 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.146 -0.532 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.855 -0.572 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.167 -0.820 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.466 -0.977 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.591 0.244 -0.682 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.153 -3.158 -0.831 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.599 -3.098 -1.009 1.00 0.00 C ATOM 1449 C LYS A 97 -14.310 -3.986 0.007 1.00 0.00 C ATOM 1450 O LYS A 97 -15.294 -3.578 0.623 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.976 -3.527 -2.429 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.242 -2.867 -2.947 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.407 -3.074 -4.444 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.480 -2.167 -5.238 1.00 0.00 C ATOM 1455 NZ LYS A 97 -15.111 -0.850 -5.532 1.00 0.00 N ATOM 0 H LYS A 97 -11.632 -3.365 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.917 -2.068 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.152 -3.291 -3.102 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -14.105 -4.609 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.107 -3.276 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.213 -1.800 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.201 -4.115 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.441 -2.877 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.558 -2.011 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.207 -2.656 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.448 -0.261 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -15.978 -0.997 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.349 -0.372 -4.639 1.00 0.00 H new ATOM 1469 N THR A 98 -13.804 -5.204 0.179 1.00 0.00 N ATOM 1470 CA THR A 98 -14.390 -6.149 1.120 1.00 0.00 C ATOM 1471 C THR A 98 -13.997 -5.812 2.554 1.00 0.00 C ATOM 1472 O THR A 98 -14.645 -6.249 3.504 1.00 0.00 O ATOM 1473 CB THR A 98 -13.957 -7.594 0.808 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.556 -7.751 1.057 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.263 -7.949 -0.640 1.00 0.00 C ATOM 0 H THR A 98 -12.989 -5.558 -0.322 1.00 0.00 H new ATOM 0 HA THR A 98 -15.472 -6.070 1.014 1.00 0.00 H new ATOM 0 HB THR A 98 -14.518 -8.266 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 98 -12.114 -6.878 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.949 -8.974 -0.838 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.334 -7.857 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.725 -7.271 -1.302 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.932 -5.031 2.703 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.455 -4.633 4.022 1.00 0.00 C ATOM 1485 C ALA A 99 -13.397 -3.620 4.663 1.00 0.00 C ATOM 1486 O ALA A 99 -14.090 -2.863 3.983 1.00 0.00 O ATOM 1487 CB ALA A 99 -11.048 -4.062 3.923 1.00 0.00 C ATOM 0 H ALA A 99 -12.383 -4.661 1.927 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.431 -5.519 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.704 -3.769 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.377 -4.817 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.054 -3.190 3.269 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.424 -3.603 6.004 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.277 -2.687 6.767 1.00 0.00 C ATOM 1495 C PRO A 100 -13.813 -1.238 6.661 1.00 0.00 C ATOM 1496 O PRO A 100 -12.703 -0.964 6.204 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.139 -3.189 8.206 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.816 -3.874 8.243 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.624 -4.477 6.879 1.00 0.00 C ATOM 0 HA PRO A 100 -15.303 -2.684 6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.178 -2.365 8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.947 -3.873 8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.018 -3.169 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.796 -4.642 9.016 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.574 -4.485 6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.973 -5.509 6.843 1.00 0.00 H new ATOM 1507 N SER A 101 -14.669 -0.315 7.086 1.00 0.00 N ATOM 1508 CA SER A 101 -14.347 1.107 7.035 1.00 0.00 C ATOM 1509 C SER A 101 -12.863 1.338 7.305 1.00 0.00 C ATOM 1510 O SER A 101 -12.155 1.925 6.487 1.00 0.00 O ATOM 1511 CB SER A 101 -15.189 1.879 8.053 1.00 0.00 C ATOM 1512 OG SER A 101 -16.560 1.868 7.694 1.00 0.00 O ATOM 0 H SER A 101 -15.590 -0.526 7.469 1.00 0.00 H new ATOM 0 HA SER A 101 -14.577 1.471 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.065 1.437 9.042 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.835 2.908 8.117 1.00 0.00 H new ATOM 0 HG SER A 101 -17.077 2.366 8.361 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.399 0.872 8.460 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.000 1.025 8.841 1.00 0.00 C ATOM 1520 C LYS A 102 -10.139 -0.056 8.195 1.00 0.00 C ATOM 1521 O LYS A 102 -10.373 -1.249 8.390 1.00 0.00 O ATOM 1522 CB LYS A 102 -10.855 0.966 10.363 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.691 1.784 10.895 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.906 2.180 12.346 1.00 0.00 C ATOM 1525 CE LYS A 102 -9.175 3.470 12.686 1.00 0.00 C ATOM 1526 NZ LYS A 102 -9.041 3.661 14.157 1.00 0.00 N ATOM 0 H LYS A 102 -12.972 0.385 9.149 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.657 1.997 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.778 1.322 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.727 -0.073 10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.770 1.208 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.566 2.680 10.287 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.972 2.304 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.556 1.380 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.185 3.457 12.230 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -9.713 4.316 12.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.538 4.551 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.986 3.699 14.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.506 2.867 14.563 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.142 0.370 7.426 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.244 -0.562 6.753 1.00 0.00 C ATOM 1542 C VAL A 103 -6.785 -0.209 7.021 1.00 0.00 C ATOM 1543 O VAL A 103 -6.368 0.935 6.839 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.487 -0.577 5.232 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.622 -1.634 4.564 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.959 -0.812 4.931 1.00 0.00 C ATOM 0 H VAL A 103 -8.936 1.354 7.253 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.455 -1.552 7.156 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.208 0.395 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.807 -1.630 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.571 -1.416 4.752 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.867 -2.615 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.113 -0.820 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.267 -1.771 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.553 -0.014 5.377 1.00 0.00 H new ATOM 1556 N LYS A 104 -6.013 -1.200 7.454 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.598 -0.996 7.745 1.00 0.00 C ATOM 1558 C LYS A 104 -3.757 -1.132 6.480 1.00 0.00 C ATOM 1559 O LYS A 104 -3.763 -2.177 5.828 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.123 -2.001 8.797 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.842 -1.587 9.499 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.207 -2.755 10.235 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.236 -3.514 9.342 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.141 -4.951 9.723 1.00 0.00 N ATOM 0 H LYS A 104 -6.343 -2.152 7.611 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.475 0.014 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.908 -2.134 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.969 -2.969 8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.137 -1.190 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.056 -0.784 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.682 -2.389 11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.986 -3.432 10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.559 -3.434 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.249 -3.055 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.470 -5.434 9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.809 -5.028 10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.077 -5.395 9.638 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.034 -0.071 6.139 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.185 -0.073 4.952 1.00 0.00 C ATOM 1580 C LEU A 105 -0.710 -0.128 5.338 1.00 0.00 C ATOM 1581 O LEU A 105 -0.219 0.723 6.080 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.457 1.171 4.105 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.911 1.397 3.691 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.192 2.881 3.516 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.225 0.638 2.410 1.00 0.00 C ATOM 0 H LEU A 105 -3.018 0.801 6.667 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.421 -0.962 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.119 2.045 4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.848 1.112 3.203 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.557 1.017 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.232 3.022 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.008 3.400 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.538 3.287 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.264 0.811 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.571 0.987 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.065 -0.428 2.570 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.008 -1.134 4.827 1.00 0.00 N ATOM 1598 CA VAL A 106 1.412 -1.299 5.114 1.00 0.00 C ATOM 1599 C VAL A 106 2.251 -1.130 3.853 1.00 0.00 C ATOM 1600 O VAL A 106 2.325 -2.031 3.017 1.00 0.00 O ATOM 1601 CB VAL A 106 1.704 -2.680 5.730 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.193 -2.844 5.993 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.904 -2.872 7.010 1.00 0.00 C ATOM 0 H VAL A 106 -0.400 -1.847 4.212 1.00 0.00 H new ATOM 0 HA VAL A 106 1.681 -0.525 5.833 1.00 0.00 H new ATOM 0 HB VAL A 106 1.399 -3.447 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.380 -3.826 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.740 -2.753 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.528 -2.071 6.685 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.122 -3.853 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.176 -2.099 7.729 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.161 -2.802 6.788 1.00 0.00 H new ATOM 1613 N PHE A 107 2.884 0.032 3.720 1.00 0.00 N ATOM 1614 CA PHE A 107 3.718 0.320 2.560 1.00 0.00 C ATOM 1615 C PHE A 107 5.084 0.847 2.990 1.00 0.00 C ATOM 1616 O PHE A 107 5.308 1.134 4.166 1.00 0.00 O ATOM 1617 CB PHE A 107 3.029 1.339 1.650 1.00 0.00 C ATOM 1618 CG PHE A 107 2.805 2.672 2.305 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.851 3.567 2.460 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.548 3.030 2.764 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.647 4.794 3.063 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.338 4.256 3.368 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.389 5.140 3.516 1.00 0.00 C ATOM 0 H PHE A 107 2.835 0.789 4.402 1.00 0.00 H new ATOM 0 HA PHE A 107 3.863 -0.609 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.633 1.480 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.069 0.936 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.837 3.303 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.722 2.343 2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.471 5.482 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.354 4.522 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.227 6.099 3.985 1.00 0.00 H new ATOM 1633 N ILE A 108 5.993 0.971 2.029 1.00 0.00 N ATOM 1634 CA ILE A 108 7.336 1.464 2.307 1.00 0.00 C ATOM 1635 C ILE A 108 7.603 2.777 1.578 1.00 0.00 C ATOM 1636 O ILE A 108 7.234 2.938 0.414 1.00 0.00 O ATOM 1637 CB ILE A 108 8.409 0.437 1.900 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.799 0.927 2.310 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.353 0.179 0.402 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.809 -0.187 2.475 1.00 0.00 C ATOM 0 H ILE A 108 5.824 0.737 1.051 1.00 0.00 H new ATOM 0 HA ILE A 108 7.393 1.630 3.383 1.00 0.00 H new ATOM 0 HB ILE A 108 8.208 -0.500 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.164 1.629 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.720 1.476 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.117 -0.549 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.370 -0.210 0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.532 1.111 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.771 0.234 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.467 -0.877 3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.918 -0.722 1.532 1.00 0.00 H new ATOM 1652 N ARG A 109 8.247 3.711 2.269 1.00 0.00 N ATOM 1653 CA ARG A 109 8.564 5.010 1.687 1.00 0.00 C ATOM 1654 C ARG A 109 9.980 5.020 1.119 1.00 0.00 C ATOM 1655 O ARG A 109 10.946 5.266 1.840 1.00 0.00 O ATOM 1656 CB ARG A 109 8.415 6.113 2.736 1.00 0.00 C ATOM 1657 CG ARG A 109 8.606 7.514 2.178 1.00 0.00 C ATOM 1658 CD ARG A 109 7.296 8.092 1.665 1.00 0.00 C ATOM 1659 NE ARG A 109 6.577 8.824 2.705 1.00 0.00 N ATOM 1660 CZ ARG A 109 7.056 9.906 3.308 1.00 0.00 C ATOM 1661 NH1 ARG A 109 8.249 10.380 2.976 1.00 0.00 N ATOM 1662 NH2 ARG A 109 6.342 10.516 4.245 1.00 0.00 N ATOM 0 H ARG A 109 8.560 3.593 3.233 1.00 0.00 H new ATOM 0 HA ARG A 109 7.863 5.196 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.425 6.043 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.141 5.946 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.013 8.163 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.336 7.488 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.497 8.758 0.826 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.667 7.286 1.288 1.00 0.00 H new ATOM 0 HE ARG A 109 5.656 8.485 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.801 9.913 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.615 11.211 3.440 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.424 10.154 4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 109 6.711 11.347 4.707 1.00 0.00 H new ATOM 1676 N ASN A 110 10.095 4.751 -0.177 1.00 0.00 N ATOM 1677 CA ASN A 110 11.393 4.728 -0.841 1.00 0.00 C ATOM 1678 C ASN A 110 11.450 5.763 -1.961 1.00 0.00 C ATOM 1679 O ASN A 110 10.623 5.751 -2.872 1.00 0.00 O ATOM 1680 CB ASN A 110 11.677 3.334 -1.404 1.00 0.00 C ATOM 1681 CG ASN A 110 13.087 3.207 -1.948 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.865 4.160 -1.917 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.422 2.024 -2.451 1.00 0.00 N ATOM 0 H ASN A 110 9.305 4.546 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 110 12.155 4.976 -0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.524 2.591 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.963 3.113 -2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.357 1.878 -2.832 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.744 1.262 -2.456 1.00 0.00 H new ATOM 1690 N GLU A 111 12.432 6.656 -1.885 1.00 0.00 N ATOM 1691 CA GLU A 111 12.596 7.698 -2.892 1.00 0.00 C ATOM 1692 C GLU A 111 12.951 7.093 -4.247 1.00 0.00 C ATOM 1693 O GLU A 111 12.931 7.779 -5.270 1.00 0.00 O ATOM 1694 CB GLU A 111 13.681 8.687 -2.463 1.00 0.00 C ATOM 1695 CG GLU A 111 13.656 9.992 -3.240 1.00 0.00 C ATOM 1696 CD GLU A 111 12.726 11.020 -2.626 1.00 0.00 C ATOM 1697 OE1 GLU A 111 13.174 11.765 -1.729 1.00 0.00 O ATOM 1698 OE2 GLU A 111 11.550 11.079 -3.042 1.00 0.00 O ATOM 0 H GLU A 111 13.125 6.679 -1.137 1.00 0.00 H new ATOM 0 HA GLU A 111 11.648 8.228 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.564 8.904 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.657 8.219 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.665 10.402 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.345 9.794 -4.266 1.00 0.00 H new ATOM 1705 N ASP A 112 13.276 5.805 -4.247 1.00 0.00 N ATOM 1706 CA ASP A 112 13.635 5.106 -5.475 1.00 0.00 C ATOM 1707 C ASP A 112 12.431 4.372 -6.055 1.00 0.00 C ATOM 1708 O ASP A 112 12.418 4.012 -7.232 1.00 0.00 O ATOM 1709 CB ASP A 112 14.772 4.117 -5.211 1.00 0.00 C ATOM 1710 CG ASP A 112 16.056 4.809 -4.796 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.488 5.736 -5.512 1.00 0.00 O ATOM 1712 OD2 ASP A 112 16.629 4.422 -3.755 1.00 0.00 O ATOM 0 H ASP A 112 13.298 5.223 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 112 13.970 5.847 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.469 3.420 -4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 112 14.954 3.528 -6.110 1.00 0.00 H new ATOM 1717 N ALA A 113 11.420 4.151 -5.221 1.00 0.00 N ATOM 1718 CA ALA A 113 10.211 3.461 -5.651 1.00 0.00 C ATOM 1719 C ALA A 113 9.392 4.328 -6.601 1.00 0.00 C ATOM 1720 O ALA A 113 8.531 3.830 -7.326 1.00 0.00 O ATOM 1721 CB ALA A 113 9.374 3.061 -4.444 1.00 0.00 C ATOM 0 H ALA A 113 11.415 4.440 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 113 10.508 2.560 -6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.474 2.546 -4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.954 2.397 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.094 3.953 -3.883 1.00 0.00 H new ATOM 1727 N VAL A 114 9.665 5.629 -6.591 1.00 0.00 N ATOM 1728 CA VAL A 114 8.953 6.566 -7.452 1.00 0.00 C ATOM 1729 C VAL A 114 9.396 6.423 -8.904 1.00 0.00 C ATOM 1730 O VAL A 114 8.730 6.908 -9.817 1.00 0.00 O ATOM 1731 CB VAL A 114 9.174 8.022 -7.001 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.587 8.247 -5.616 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.655 8.368 -7.023 1.00 0.00 C ATOM 0 H VAL A 114 10.374 6.058 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 114 7.893 6.326 -7.373 1.00 0.00 H new ATOM 0 HB VAL A 114 8.660 8.682 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.753 9.281 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.517 8.042 -5.637 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.070 7.579 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.792 9.400 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.194 7.703 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.041 8.249 -8.035 1.00 0.00 H new ATOM 1743 N ASN A 115 10.525 5.753 -9.109 1.00 0.00 N ATOM 1744 CA ASN A 115 11.058 5.545 -10.451 1.00 0.00 C ATOM 1745 C ASN A 115 10.817 4.113 -10.916 1.00 0.00 C ATOM 1746 O ASN A 115 10.858 3.823 -12.111 1.00 0.00 O ATOM 1747 CB ASN A 115 12.555 5.859 -10.482 1.00 0.00 C ATOM 1748 CG ASN A 115 12.870 7.232 -9.920 1.00 0.00 C ATOM 1749 OD1 ASN A 115 12.490 8.252 -10.494 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.568 7.263 -8.791 1.00 0.00 N ATOM 0 H ASN A 115 11.089 5.345 -8.363 1.00 0.00 H new ATOM 0 HA ASN A 115 10.538 6.221 -11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.094 5.103 -9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 115 12.915 5.799 -11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 115 13.810 8.158 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.862 6.392 -8.349 1.00 0.00 H new ATOM 1757 N GLN A 116 10.566 3.221 -9.963 1.00 0.00 N ATOM 1758 CA GLN A 116 10.318 1.819 -10.275 1.00 0.00 C ATOM 1759 C GLN A 116 8.885 1.612 -10.755 1.00 0.00 C ATOM 1760 O GLN A 116 8.620 0.754 -11.596 1.00 0.00 O ATOM 1761 CB GLN A 116 10.589 0.945 -9.049 1.00 0.00 C ATOM 1762 CG GLN A 116 12.063 0.836 -8.693 1.00 0.00 C ATOM 1763 CD GLN A 116 12.317 -0.120 -7.544 1.00 0.00 C ATOM 1764 OE1 GLN A 116 11.780 -1.227 -7.513 1.00 0.00 O ATOM 1765 NE2 GLN A 116 13.140 0.304 -6.592 1.00 0.00 N ATOM 0 H GLN A 116 10.529 3.445 -8.969 1.00 0.00 H new ATOM 0 HA GLN A 116 10.996 1.527 -11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.047 1.353 -8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.193 -0.054 -9.231 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.620 0.502 -9.568 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.443 1.823 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.563 1.230 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 116 13.349 -0.296 -5.794 1.00 0.00 H new ATOM 1774 N MET A 117 7.966 2.404 -10.213 1.00 0.00 N ATOM 1775 CA MET A 117 6.559 2.307 -10.587 1.00 0.00 C ATOM 1776 C MET A 117 6.330 2.866 -11.988 1.00 0.00 C ATOM 1777 O MET A 117 6.698 4.003 -12.280 1.00 0.00 O ATOM 1778 CB MET A 117 5.689 3.057 -9.577 1.00 0.00 C ATOM 1779 CG MET A 117 6.063 4.522 -9.421 1.00 0.00 C ATOM 1780 SD MET A 117 5.195 5.320 -8.057 1.00 0.00 S ATOM 1781 CE MET A 117 5.701 7.023 -8.283 1.00 0.00 C ATOM 0 H MET A 117 8.169 3.119 -9.515 1.00 0.00 H new ATOM 0 HA MET A 117 6.279 1.254 -10.585 1.00 0.00 H new ATOM 0 HB2 MET A 117 4.646 2.988 -9.886 1.00 0.00 H new ATOM 0 HB3 MET A 117 5.767 2.565 -8.607 1.00 0.00 H new ATOM 0 HG2 MET A 117 7.138 4.603 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 117 5.839 5.051 -10.348 1.00 0.00 H new ATOM 0 HE1 MET A 117 6.115 7.406 -7.350 1.00 0.00 H new ATOM 0 HE2 MET A 117 6.458 7.077 -9.065 1.00 0.00 H new ATOM 0 HE3 MET A 117 4.838 7.624 -8.571 1.00 0.00 H new ATOM 1791 N ALA A 118 5.719 2.059 -12.849 1.00 0.00 N ATOM 1792 CA ALA A 118 5.439 2.474 -14.218 1.00 0.00 C ATOM 1793 C ALA A 118 4.989 3.930 -14.269 1.00 0.00 C ATOM 1794 O ALA A 118 5.355 4.672 -15.181 1.00 0.00 O ATOM 1795 CB ALA A 118 4.383 1.571 -14.838 1.00 0.00 C ATOM 0 H ALA A 118 5.408 1.114 -12.623 1.00 0.00 H new ATOM 0 HA ALA A 118 6.360 2.385 -14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.184 1.893 -15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.743 0.542 -14.845 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.465 1.630 -14.254 1.00 0.00 H new