USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 94 SER OG : rot -23:sc= 0.394 USER MOD Set 1.2: B 100 HIS : no HD1:sc= -0.158 X(o=0.24,f=0.3) USER MOD Set 2.1: B 49 GLN : amide:sc= -2.2! C(o=-2.7!,f=-5.2!) USER MOD Set 2.2: B 53 HIS : no HD1:sc= -0.475 K(o=-2.7,f=-8.7!) USER MOD Single : B 10 SER OG : rot 180:sc= -0.477 USER MOD Single : B 16 HIS : no HE2:sc= -0.0727 K(o=-0.073,f=-7.8!) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.475! X(o=-0.48!,f=-0.7) USER MOD Single : B 25 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.83) USER MOD Single : B 30 GLN : amide:sc= -4.62! C(o=-4.6!,f=-5.6!) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.827 F(o=-2.5!,f=0.83) USER MOD Single : B 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 42 THR OG1 : rot 164:sc= 1.11 USER MOD Single : B 46 THR OG1 : rot -140:sc= 0.00845 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.041) USER MOD Single : B 56 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : B 57 MET CE :methyl -142:sc= -0.217 (180deg=-1.41) USER MOD Single : B 62 SER OG : rot 180:sc= -0.175 USER MOD Single : B 64 LYS NZ :NH3+ -136:sc= 0.0356 (180deg=-1.35!) USER MOD Single : B 77 THR OG1 : rot 127:sc= 0.587 USER MOD Single : B 80 GLN :FLIP amide:sc= -0.22 F(o=-2.7,f=-0.22) USER MOD Single : B 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 MET CE :methyl -108:sc= -1.45 (180deg=-3.44!) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 104 ASN :FLIP amide:sc= -0.386 F(o=-1.2,f=-0.39) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.12) USER MOD Single : B 110 SER OG : rot -170:sc= 0.826 USER MOD Single : B 117 LYS NZ :NH3+ -174:sc= 0.325 (180deg=0.213) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -22.547 8.380 5.274 1.00 0.00 N ATOM 127 CA TRP B 9 -22.070 7.348 6.172 1.00 0.00 C ATOM 128 C TRP B 9 -22.281 7.742 7.623 1.00 0.00 C ATOM 129 O TRP B 9 -21.639 8.667 8.124 1.00 0.00 O ATOM 130 CB TRP B 9 -20.579 7.068 5.989 1.00 0.00 C ATOM 131 CG TRP B 9 -20.186 6.481 4.677 1.00 0.00 C ATOM 132 CD1 TRP B 9 -19.691 7.162 3.607 1.00 0.00 C ATOM 133 CD2 TRP B 9 -20.209 5.094 4.304 1.00 0.00 C ATOM 134 NE1 TRP B 9 -19.402 6.291 2.593 1.00 0.00 N ATOM 135 CE2 TRP B 9 -19.707 5.019 2.994 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.601 3.908 4.941 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -19.574 3.819 2.317 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.475 2.712 4.252 1.00 0.00 C ATOM 139 CH2 TRP B 9 -19.962 2.683 2.956 1.00 0.00 C ATOM 0 HA TRP B 9 -22.645 6.455 5.927 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -20.034 8.002 6.126 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -20.256 6.391 6.780 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -19.548 8.232 3.565 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -19.020 6.549 1.683 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.993 3.926 5.947 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.175 3.786 1.314 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -20.778 1.790 4.726 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -19.870 1.735 2.447 1.00 0.00 H new ATOM 150 N SER B 10 -23.186 7.056 8.285 1.00 0.00 N ATOM 151 CA SER B 10 -23.282 7.133 9.727 1.00 0.00 C ATOM 152 C SER B 10 -22.160 6.275 10.314 1.00 0.00 C ATOM 153 O SER B 10 -21.710 5.338 9.655 1.00 0.00 O ATOM 154 CB SER B 10 -24.662 6.634 10.179 1.00 0.00 C ATOM 155 OG SER B 10 -24.791 6.647 11.590 1.00 0.00 O ATOM 0 H SER B 10 -23.868 6.437 7.847 1.00 0.00 H new ATOM 0 HA SER B 10 -23.174 8.160 10.075 1.00 0.00 H new ATOM 0 HB2 SER B 10 -25.437 7.260 9.738 1.00 0.00 H new ATOM 0 HB3 SER B 10 -24.821 5.621 9.809 1.00 0.00 H new ATOM 0 HG SER B 10 -25.682 6.325 11.840 1.00 0.00 H new ATOM 161 N PRO B 11 -21.655 6.587 11.521 1.00 0.00 N ATOM 162 CA PRO B 11 -20.628 5.765 12.179 1.00 0.00 C ATOM 163 C PRO B 11 -20.994 4.279 12.195 1.00 0.00 C ATOM 164 O PRO B 11 -20.131 3.403 12.063 1.00 0.00 O ATOM 165 CB PRO B 11 -20.590 6.330 13.599 1.00 0.00 C ATOM 166 CG PRO B 11 -21.001 7.753 13.441 1.00 0.00 C ATOM 167 CD PRO B 11 -22.013 7.771 12.327 1.00 0.00 C ATOM 0 HA PRO B 11 -19.669 5.810 11.662 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -21.269 5.791 14.260 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -19.593 6.250 14.032 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -21.431 8.140 14.365 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -20.144 8.382 13.200 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -23.032 7.704 12.709 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -21.951 8.689 11.742 1.00 0.00 H new ATOM 175 N GLU B 12 -22.286 4.003 12.328 1.00 0.00 N ATOM 176 CA GLU B 12 -22.785 2.636 12.335 1.00 0.00 C ATOM 177 C GLU B 12 -22.791 2.052 10.927 1.00 0.00 C ATOM 178 O GLU B 12 -22.730 0.837 10.748 1.00 0.00 O ATOM 179 CB GLU B 12 -24.189 2.599 12.925 1.00 0.00 C ATOM 180 CG GLU B 12 -24.245 3.086 14.359 1.00 0.00 C ATOM 181 CD GLU B 12 -25.653 3.120 14.905 1.00 0.00 C ATOM 182 OE1 GLU B 12 -26.183 4.229 15.120 1.00 0.00 O ATOM 183 OE2 GLU B 12 -26.240 2.039 15.117 1.00 0.00 O ATOM 0 H GLU B 12 -23.010 4.714 12.433 1.00 0.00 H new ATOM 0 HA GLU B 12 -22.121 2.030 12.952 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -24.850 3.213 12.313 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -24.569 1.578 12.879 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -23.632 2.436 14.984 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -23.812 4.085 14.417 1.00 0.00 H new ATOM 190 N GLU B 13 -22.843 2.923 9.928 1.00 0.00 N ATOM 191 CA GLU B 13 -22.855 2.487 8.539 1.00 0.00 C ATOM 192 C GLU B 13 -21.474 1.980 8.148 1.00 0.00 C ATOM 193 O GLU B 13 -21.343 1.094 7.310 1.00 0.00 O ATOM 194 CB GLU B 13 -23.275 3.626 7.609 1.00 0.00 C ATOM 195 CG GLU B 13 -23.774 3.136 6.266 1.00 0.00 C ATOM 196 CD GLU B 13 -24.918 2.163 6.433 1.00 0.00 C ATOM 197 OE1 GLU B 13 -26.016 2.595 6.840 1.00 0.00 O ATOM 198 OE2 GLU B 13 -24.738 0.966 6.148 1.00 0.00 O ATOM 0 H GLU B 13 -22.878 3.935 10.054 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.582 1.681 8.438 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.058 4.211 8.090 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.427 4.294 7.455 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -24.099 3.984 5.664 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -22.959 2.655 5.725 1.00 0.00 H new ATOM 205 N GLU B 14 -20.452 2.549 8.772 1.00 0.00 N ATOM 206 CA GLU B 14 -19.084 2.090 8.580 1.00 0.00 C ATOM 207 C GLU B 14 -18.928 0.694 9.177 1.00 0.00 C ATOM 208 O GLU B 14 -18.263 -0.174 8.610 1.00 0.00 O ATOM 209 CB GLU B 14 -18.105 3.067 9.233 1.00 0.00 C ATOM 210 CG GLU B 14 -18.230 4.484 8.696 1.00 0.00 C ATOM 211 CD GLU B 14 -17.357 5.474 9.440 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.172 5.623 9.077 1.00 0.00 O ATOM 213 OE2 GLU B 14 -17.855 6.117 10.388 1.00 0.00 O ATOM 0 H GLU B 14 -20.546 3.333 9.418 1.00 0.00 H new ATOM 0 HA GLU B 14 -18.862 2.046 7.514 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.274 3.077 10.310 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.087 2.713 9.074 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -17.961 4.492 7.640 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.270 4.802 8.763 1.00 0.00 H new ATOM 220 N ALA B 15 -19.579 0.475 10.315 1.00 0.00 N ATOM 221 CA ALA B 15 -19.593 -0.841 10.949 1.00 0.00 C ATOM 222 C ALA B 15 -20.414 -1.826 10.117 1.00 0.00 C ATOM 223 O ALA B 15 -20.124 -3.015 10.075 1.00 0.00 O ATOM 224 CB ALA B 15 -20.145 -0.749 12.363 1.00 0.00 C ATOM 0 H ALA B 15 -20.104 1.191 10.818 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.567 -1.206 11.005 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.147 -1.740 12.818 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -19.521 -0.079 12.954 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.164 -0.362 12.332 1.00 0.00 H new ATOM 230 N HIS B 16 -21.439 -1.311 9.458 1.00 0.00 N ATOM 231 CA HIS B 16 -22.265 -2.089 8.546 1.00 0.00 C ATOM 232 C HIS B 16 -21.526 -2.306 7.226 1.00 0.00 C ATOM 233 O HIS B 16 -21.837 -3.223 6.464 1.00 0.00 O ATOM 234 CB HIS B 16 -23.606 -1.381 8.304 1.00 0.00 C ATOM 235 CG HIS B 16 -24.552 -2.144 7.423 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.305 -1.549 6.443 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.873 -3.457 7.387 1.00 0.00 C ATOM 238 CE1 HIS B 16 -26.046 -2.461 5.842 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.804 -3.628 6.398 1.00 0.00 N ATOM 0 H HIS B 16 -21.724 -0.335 9.541 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.467 -3.061 8.996 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.088 -1.200 9.265 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.414 -0.407 7.855 1.00 0.00 H new ATOM 0 HD1 HIS B 16 -25.294 -0.555 6.214 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -24.468 -4.230 8.023 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -26.735 -2.279 5.030 1.00 0.00 H new ATOM 248 N LEU B 17 -20.538 -1.466 6.973 1.00 0.00 N ATOM 249 CA LEU B 17 -19.748 -1.558 5.763 1.00 0.00 C ATOM 250 C LEU B 17 -18.802 -2.746 5.878 1.00 0.00 C ATOM 251 O LEU B 17 -18.710 -3.573 4.969 1.00 0.00 O ATOM 252 CB LEU B 17 -18.981 -0.245 5.548 1.00 0.00 C ATOM 253 CG LEU B 17 -18.394 -0.017 4.150 1.00 0.00 C ATOM 254 CD1 LEU B 17 -16.997 -0.593 4.041 1.00 0.00 C ATOM 255 CD2 LEU B 17 -19.296 -0.625 3.093 1.00 0.00 C ATOM 0 H LEU B 17 -20.264 -0.707 7.597 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.393 -1.713 4.898 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.652 0.583 5.776 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.166 -0.203 6.271 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.330 1.058 3.985 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -16.608 -0.416 3.039 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -16.347 -0.113 4.773 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -17.030 -1.665 4.233 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -18.866 -0.455 2.106 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.390 -1.697 3.268 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -20.281 -0.161 3.144 1.00 0.00 H new ATOM 267 N ARG B 18 -18.128 -2.844 7.017 1.00 0.00 N ATOM 268 CA ARG B 18 -17.318 -4.007 7.315 1.00 0.00 C ATOM 269 C ARG B 18 -18.240 -5.193 7.559 1.00 0.00 C ATOM 270 O ARG B 18 -17.894 -6.327 7.263 1.00 0.00 O ATOM 271 CB ARG B 18 -16.433 -3.762 8.547 1.00 0.00 C ATOM 272 CG ARG B 18 -17.224 -3.628 9.835 1.00 0.00 C ATOM 273 CD ARG B 18 -16.340 -3.458 11.056 1.00 0.00 C ATOM 274 NE ARG B 18 -17.142 -3.429 12.278 1.00 0.00 N ATOM 275 CZ ARG B 18 -16.712 -2.983 13.456 1.00 0.00 C ATOM 276 NH1 ARG B 18 -15.454 -2.582 13.605 1.00 0.00 N ATOM 277 NH2 ARG B 18 -17.541 -2.963 14.494 1.00 0.00 N ATOM 0 H ARG B 18 -18.129 -2.130 7.746 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.660 -4.212 6.470 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.725 -4.585 8.647 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.848 -2.855 8.392 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -17.895 -2.772 9.756 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.849 -4.512 9.965 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.621 -4.276 11.107 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -15.767 -2.535 10.970 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.100 -3.775 12.224 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -14.811 -2.615 12.814 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -15.131 -2.241 14.511 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.502 -3.288 14.386 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -17.217 -2.622 15.399 1.00 0.00 H new ATOM 291 N GLU B 19 -19.438 -4.894 8.064 1.00 0.00 N ATOM 292 CA GLU B 19 -20.428 -5.910 8.399 1.00 0.00 C ATOM 293 C GLU B 19 -20.699 -6.815 7.199 1.00 0.00 C ATOM 294 O GLU B 19 -20.698 -8.042 7.305 1.00 0.00 O ATOM 295 CB GLU B 19 -21.730 -5.249 8.854 1.00 0.00 C ATOM 296 CG GLU B 19 -22.791 -6.220 9.337 1.00 0.00 C ATOM 297 CD GLU B 19 -22.389 -6.939 10.609 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.911 -6.585 11.688 1.00 0.00 O ATOM 299 OE2 GLU B 19 -21.542 -7.850 10.543 1.00 0.00 O ATOM 0 H GLU B 19 -19.746 -3.940 8.251 1.00 0.00 H new ATOM 0 HA GLU B 19 -20.032 -6.518 9.212 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.505 -4.547 9.657 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -22.137 -4.668 8.026 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.722 -5.679 9.509 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.988 -6.954 8.556 1.00 0.00 H new ATOM 306 N LEU B 20 -20.914 -6.186 6.052 1.00 0.00 N ATOM 307 CA LEU B 20 -21.209 -6.903 4.824 1.00 0.00 C ATOM 308 C LEU B 20 -19.938 -7.527 4.249 1.00 0.00 C ATOM 309 O LEU B 20 -19.981 -8.588 3.618 1.00 0.00 O ATOM 310 CB LEU B 20 -21.846 -5.944 3.815 1.00 0.00 C ATOM 311 CG LEU B 20 -23.172 -6.412 3.210 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.899 -5.243 2.569 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.932 -7.505 2.182 1.00 0.00 C ATOM 0 H LEU B 20 -20.889 -5.172 5.949 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.910 -7.710 5.039 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -22.009 -4.984 4.305 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -21.137 -5.773 3.005 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.792 -6.817 4.010 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.840 -5.590 2.143 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -24.101 -4.482 3.323 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -23.279 -4.817 1.781 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.886 -7.826 1.762 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -22.295 -7.121 1.385 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.443 -8.353 2.660 1.00 0.00 H new ATOM 325 N TYR B 21 -18.803 -6.882 4.500 1.00 0.00 N ATOM 326 CA TYR B 21 -17.522 -7.367 4.008 1.00 0.00 C ATOM 327 C TYR B 21 -17.141 -8.647 4.727 1.00 0.00 C ATOM 328 O TYR B 21 -16.844 -9.657 4.101 1.00 0.00 O ATOM 329 CB TYR B 21 -16.430 -6.311 4.211 1.00 0.00 C ATOM 330 CG TYR B 21 -15.029 -6.813 3.914 1.00 0.00 C ATOM 331 CD1 TYR B 21 -14.147 -7.105 4.948 1.00 0.00 C ATOM 332 CD2 TYR B 21 -14.588 -6.996 2.607 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.870 -7.564 4.689 1.00 0.00 C ATOM 334 CE2 TYR B 21 -13.313 -7.455 2.342 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.458 -7.736 3.384 1.00 0.00 C ATOM 336 OH TYR B 21 -11.188 -8.196 3.123 1.00 0.00 O ATOM 0 H TYR B 21 -18.746 -6.020 5.043 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.616 -7.568 2.941 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.642 -5.455 3.571 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -16.468 -5.956 5.241 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.465 -6.971 5.971 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -15.254 -6.775 1.786 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -12.198 -7.787 5.504 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -12.988 -7.593 1.321 1.00 0.00 H new ATOM 0 HH TYR B 21 -11.057 -8.262 2.154 1.00 0.00 H new ATOM 346 N LEU B 22 -17.186 -8.594 6.049 1.00 0.00 N ATOM 347 CA LEU B 22 -16.802 -9.720 6.889 1.00 0.00 C ATOM 348 C LEU B 22 -17.692 -10.929 6.619 1.00 0.00 C ATOM 349 O LEU B 22 -17.248 -12.074 6.709 1.00 0.00 O ATOM 350 CB LEU B 22 -16.893 -9.321 8.365 1.00 0.00 C ATOM 351 CG LEU B 22 -16.154 -8.030 8.742 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.392 -7.680 10.199 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.664 -8.143 8.463 1.00 0.00 C ATOM 0 H LEU B 22 -17.489 -7.771 6.570 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.774 -9.993 6.651 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.944 -9.209 8.630 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.497 -10.137 8.970 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.554 -7.229 8.121 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.859 -6.762 10.444 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.459 -7.537 10.369 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -16.029 -8.490 10.832 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -14.170 -7.212 8.741 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -14.246 -8.964 9.046 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.506 -8.335 7.402 1.00 0.00 H new ATOM 365 N ALA B 23 -18.940 -10.660 6.260 1.00 0.00 N ATOM 366 CA ALA B 23 -19.915 -11.712 6.018 1.00 0.00 C ATOM 367 C ALA B 23 -19.715 -12.380 4.654 1.00 0.00 C ATOM 368 O ALA B 23 -20.130 -13.523 4.455 1.00 0.00 O ATOM 369 CB ALA B 23 -21.325 -11.150 6.130 1.00 0.00 C ATOM 0 H ALA B 23 -19.302 -9.715 6.130 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.768 -12.479 6.778 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -22.049 -11.944 5.947 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -21.476 -10.744 7.130 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -21.461 -10.359 5.393 1.00 0.00 H new ATOM 375 N ASN B 24 -19.088 -11.678 3.711 1.00 0.00 N ATOM 376 CA ASN B 24 -18.919 -12.209 2.359 1.00 0.00 C ATOM 377 C ASN B 24 -17.452 -12.253 1.942 1.00 0.00 C ATOM 378 O ASN B 24 -17.144 -12.369 0.759 1.00 0.00 O ATOM 379 CB ASN B 24 -19.711 -11.369 1.355 1.00 0.00 C ATOM 380 CG ASN B 24 -21.204 -11.407 1.606 1.00 0.00 C ATOM 381 OD1 ASN B 24 -21.920 -12.246 1.061 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.684 -10.499 2.438 1.00 0.00 N ATOM 0 H ASN B 24 -18.692 -10.749 3.856 1.00 0.00 H new ATOM 0 HA ASN B 24 -19.299 -13.231 2.365 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -19.366 -10.336 1.400 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -19.508 -11.729 0.347 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.682 -10.477 2.649 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -21.057 -9.820 2.870 1.00 0.00 H new ATOM 389 N LYS B 25 -16.548 -12.159 2.905 1.00 0.00 N ATOM 390 CA LYS B 25 -15.118 -12.193 2.607 1.00 0.00 C ATOM 391 C LYS B 25 -14.607 -13.627 2.534 1.00 0.00 C ATOM 392 O LYS B 25 -13.499 -13.881 2.059 1.00 0.00 O ATOM 393 CB LYS B 25 -14.324 -11.416 3.661 1.00 0.00 C ATOM 394 CG LYS B 25 -14.344 -12.057 5.040 1.00 0.00 C ATOM 395 CD LYS B 25 -13.510 -11.265 6.030 1.00 0.00 C ATOM 396 CE LYS B 25 -13.467 -11.944 7.390 1.00 0.00 C ATOM 397 NZ LYS B 25 -12.819 -13.284 7.328 1.00 0.00 N ATOM 0 H LYS B 25 -16.774 -12.059 3.895 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.974 -11.721 1.635 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -13.290 -11.324 3.328 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.727 -10.406 3.734 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.372 -12.122 5.398 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -13.964 -13.076 4.975 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -12.496 -11.153 5.646 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.924 -10.262 6.136 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -12.925 -11.312 8.093 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -14.482 -12.050 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -12.551 -13.584 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -13.484 -13.973 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -11.969 -13.231 6.731 1.00 0.00 H new ATOM 411 N ASP B 26 -15.418 -14.558 3.012 1.00 0.00 N ATOM 412 CA ASP B 26 -15.001 -15.953 3.123 1.00 0.00 C ATOM 413 C ASP B 26 -15.578 -16.802 2.001 1.00 0.00 C ATOM 414 O ASP B 26 -15.310 -17.998 1.923 1.00 0.00 O ATOM 415 CB ASP B 26 -15.405 -16.536 4.480 1.00 0.00 C ATOM 416 CG ASP B 26 -14.325 -16.383 5.532 1.00 0.00 C ATOM 417 OD1 ASP B 26 -14.054 -15.242 5.963 1.00 0.00 O ATOM 418 OD2 ASP B 26 -13.751 -17.414 5.950 1.00 0.00 O ATOM 0 H ASP B 26 -16.370 -14.376 3.330 1.00 0.00 H new ATOM 0 HA ASP B 26 -13.914 -15.972 3.038 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -16.314 -16.044 4.825 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -15.641 -17.593 4.360 1.00 0.00 H new ATOM 423 N VAL B 27 -16.378 -16.195 1.141 1.00 0.00 N ATOM 424 CA VAL B 27 -16.908 -16.902 -0.012 1.00 0.00 C ATOM 425 C VAL B 27 -15.970 -16.741 -1.204 1.00 0.00 C ATOM 426 O VAL B 27 -15.818 -15.654 -1.760 1.00 0.00 O ATOM 427 CB VAL B 27 -18.342 -16.447 -0.372 1.00 0.00 C ATOM 428 CG1 VAL B 27 -18.426 -14.945 -0.460 1.00 0.00 C ATOM 429 CG2 VAL B 27 -18.808 -17.101 -1.666 1.00 0.00 C ATOM 0 H VAL B 27 -16.673 -15.222 1.218 1.00 0.00 H new ATOM 0 HA VAL B 27 -16.971 -17.958 0.251 1.00 0.00 H new ATOM 0 HB VAL B 27 -19.010 -16.770 0.426 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -19.445 -14.652 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -18.152 -14.508 0.500 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -17.742 -14.587 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -19.819 -16.766 -1.899 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -18.137 -16.821 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -18.803 -18.185 -1.548 1.00 0.00 H new ATOM 439 N GLU B 28 -15.310 -17.827 -1.564 1.00 0.00 N ATOM 440 CA GLU B 28 -14.349 -17.806 -2.649 1.00 0.00 C ATOM 441 C GLU B 28 -15.033 -18.103 -3.975 1.00 0.00 C ATOM 442 O GLU B 28 -16.027 -18.831 -4.028 1.00 0.00 O ATOM 443 CB GLU B 28 -13.239 -18.811 -2.379 1.00 0.00 C ATOM 444 CG GLU B 28 -12.475 -18.521 -1.099 1.00 0.00 C ATOM 445 CD GLU B 28 -11.397 -19.539 -0.826 1.00 0.00 C ATOM 446 OE1 GLU B 28 -10.252 -19.338 -1.281 1.00 0.00 O ATOM 447 OE2 GLU B 28 -11.685 -20.546 -0.155 1.00 0.00 O ATOM 0 H GLU B 28 -15.423 -18.737 -1.118 1.00 0.00 H new ATOM 0 HA GLU B 28 -13.911 -16.810 -2.711 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -13.668 -19.811 -2.321 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -12.544 -18.811 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -12.026 -17.530 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -13.171 -18.501 -0.261 1.00 0.00 H new ATOM 454 N GLY B 29 -14.495 -17.528 -5.038 1.00 0.00 N ATOM 455 CA GLY B 29 -15.117 -17.638 -6.344 1.00 0.00 C ATOM 456 C GLY B 29 -16.157 -16.556 -6.535 1.00 0.00 C ATOM 457 O GLY B 29 -16.913 -16.554 -7.507 1.00 0.00 O ATOM 0 H GLY B 29 -13.633 -16.983 -5.021 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -14.357 -17.560 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -15.582 -18.618 -6.449 1.00 0.00 H new ATOM 461 N GLN B 30 -16.180 -15.632 -5.590 1.00 0.00 N ATOM 462 CA GLN B 30 -17.137 -14.543 -5.578 1.00 0.00 C ATOM 463 C GLN B 30 -16.407 -13.201 -5.557 1.00 0.00 C ATOM 464 O GLN B 30 -15.227 -13.137 -5.202 1.00 0.00 O ATOM 465 CB GLN B 30 -18.053 -14.725 -4.353 1.00 0.00 C ATOM 466 CG GLN B 30 -18.762 -13.471 -3.850 1.00 0.00 C ATOM 467 CD GLN B 30 -17.980 -12.749 -2.763 1.00 0.00 C ATOM 468 OE1 GLN B 30 -16.752 -12.778 -2.725 1.00 0.00 O ATOM 469 NE2 GLN B 30 -18.693 -12.122 -1.849 1.00 0.00 N ATOM 0 H GLN B 30 -15.530 -15.618 -4.804 1.00 0.00 H new ATOM 0 HA GLN B 30 -17.749 -14.553 -6.480 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.809 -15.471 -4.598 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.457 -15.132 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -18.926 -12.791 -4.686 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.744 -13.744 -3.464 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -19.711 -12.118 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -18.227 -11.641 -1.080 1.00 0.00 H new ATOM 478 N ASP B 31 -17.097 -12.145 -5.968 1.00 0.00 N ATOM 479 CA ASP B 31 -16.564 -10.793 -5.861 1.00 0.00 C ATOM 480 C ASP B 31 -17.034 -10.163 -4.558 1.00 0.00 C ATOM 481 O ASP B 31 -18.234 -9.929 -4.378 1.00 0.00 O ATOM 482 CB ASP B 31 -17.044 -9.941 -7.026 1.00 0.00 C ATOM 483 CG ASP B 31 -16.293 -8.631 -7.128 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.461 -7.778 -6.240 1.00 0.00 O ATOM 485 OD2 ASP B 31 -15.526 -8.454 -8.099 1.00 0.00 O ATOM 0 H ASP B 31 -18.029 -12.199 -6.379 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.475 -10.844 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -16.924 -10.499 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -18.109 -9.739 -6.911 1.00 0.00 H new ATOM 490 N VAL B 32 -16.104 -9.886 -3.653 1.00 0.00 N ATOM 491 CA VAL B 32 -16.459 -9.418 -2.321 1.00 0.00 C ATOM 492 C VAL B 32 -17.004 -7.991 -2.363 1.00 0.00 C ATOM 493 O VAL B 32 -17.908 -7.640 -1.604 1.00 0.00 O ATOM 494 CB VAL B 32 -15.257 -9.493 -1.347 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.227 -8.415 -1.653 1.00 0.00 C ATOM 496 CG2 VAL B 32 -15.728 -9.404 0.099 1.00 0.00 C ATOM 0 H VAL B 32 -15.101 -9.977 -3.817 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.240 -10.082 -1.952 1.00 0.00 H new ATOM 0 HB VAL B 32 -14.773 -10.459 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.397 -8.496 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.857 -8.544 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.689 -7.432 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -14.868 -9.459 0.766 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.248 -8.459 0.255 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.406 -10.231 0.312 1.00 0.00 H new ATOM 506 N VAL B 33 -16.479 -7.178 -3.273 1.00 0.00 N ATOM 507 CA VAL B 33 -16.866 -5.784 -3.338 1.00 0.00 C ATOM 508 C VAL B 33 -18.227 -5.664 -3.998 1.00 0.00 C ATOM 509 O VAL B 33 -19.049 -4.855 -3.588 1.00 0.00 O ATOM 510 CB VAL B 33 -15.807 -4.919 -4.071 1.00 0.00 C ATOM 511 CG1 VAL B 33 -14.418 -5.418 -3.739 1.00 0.00 C ATOM 512 CG2 VAL B 33 -16.006 -4.888 -5.579 1.00 0.00 C ATOM 0 H VAL B 33 -15.790 -7.463 -3.969 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.928 -5.399 -2.320 1.00 0.00 H new ATOM 0 HB VAL B 33 -15.931 -3.895 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -13.678 -4.807 -4.256 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -14.255 -5.352 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -14.318 -6.456 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -15.235 -4.267 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -15.938 -5.901 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -16.988 -4.474 -5.808 1.00 0.00 H new ATOM 522 N GLU B 34 -18.468 -6.515 -4.990 1.00 0.00 N ATOM 523 CA GLU B 34 -19.753 -6.576 -5.668 1.00 0.00 C ATOM 524 C GLU B 34 -20.839 -6.985 -4.680 1.00 0.00 C ATOM 525 O GLU B 34 -22.006 -6.622 -4.828 1.00 0.00 O ATOM 526 CB GLU B 34 -19.682 -7.580 -6.819 1.00 0.00 C ATOM 527 CG GLU B 34 -20.848 -7.508 -7.787 1.00 0.00 C ATOM 528 CD GLU B 34 -20.886 -6.204 -8.555 1.00 0.00 C ATOM 529 OE1 GLU B 34 -19.942 -5.940 -9.332 1.00 0.00 O ATOM 530 OE2 GLU B 34 -21.872 -5.455 -8.412 1.00 0.00 O ATOM 0 H GLU B 34 -17.779 -7.179 -5.344 1.00 0.00 H new ATOM 0 HA GLU B 34 -19.995 -5.593 -6.071 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.757 -7.416 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -19.632 -8.587 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.783 -8.338 -8.490 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -21.781 -7.629 -7.236 1.00 0.00 H new ATOM 537 N ALA B 35 -20.440 -7.741 -3.663 1.00 0.00 N ATOM 538 CA ALA B 35 -21.362 -8.162 -2.623 1.00 0.00 C ATOM 539 C ALA B 35 -21.780 -6.963 -1.791 1.00 0.00 C ATOM 540 O ALA B 35 -22.963 -6.704 -1.596 1.00 0.00 O ATOM 541 CB ALA B 35 -20.723 -9.225 -1.741 1.00 0.00 C ATOM 0 H ALA B 35 -19.484 -8.073 -3.540 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.247 -8.595 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.429 -9.528 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.457 -10.090 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.825 -8.819 -1.274 1.00 0.00 H new ATOM 547 N ILE B 36 -20.799 -6.215 -1.326 1.00 0.00 N ATOM 548 CA ILE B 36 -21.061 -5.053 -0.499 1.00 0.00 C ATOM 549 C ILE B 36 -21.753 -3.963 -1.307 1.00 0.00 C ATOM 550 O ILE B 36 -22.834 -3.506 -0.938 1.00 0.00 O ATOM 551 CB ILE B 36 -19.761 -4.496 0.094 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.944 -5.629 0.714 1.00 0.00 C ATOM 553 CG2 ILE B 36 -20.082 -3.442 1.139 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.510 -5.255 0.987 1.00 0.00 C ATOM 0 H ILE B 36 -19.811 -6.391 -1.507 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.715 -5.369 0.314 1.00 0.00 H new ATOM 0 HB ILE B 36 -19.173 -4.035 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -19.415 -5.937 1.647 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.966 -6.490 0.046 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -19.155 -3.050 1.557 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.644 -2.630 0.677 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.678 -3.888 1.935 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.989 -6.106 1.427 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -17.023 -4.975 0.053 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -17.479 -4.414 1.679 1.00 0.00 H new ATOM 566 N LEU B 37 -21.132 -3.591 -2.425 1.00 0.00 N ATOM 567 CA LEU B 37 -21.639 -2.538 -3.316 1.00 0.00 C ATOM 568 C LEU B 37 -23.141 -2.666 -3.565 1.00 0.00 C ATOM 569 O LEU B 37 -23.874 -1.679 -3.547 1.00 0.00 O ATOM 570 CB LEU B 37 -20.916 -2.609 -4.669 1.00 0.00 C ATOM 571 CG LEU B 37 -19.474 -2.088 -4.711 1.00 0.00 C ATOM 572 CD1 LEU B 37 -18.764 -2.635 -5.940 1.00 0.00 C ATOM 573 CD2 LEU B 37 -19.471 -0.572 -4.756 1.00 0.00 C ATOM 0 H LEU B 37 -20.259 -4.011 -2.743 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.451 -1.584 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -20.911 -3.648 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -21.501 -2.047 -5.397 1.00 0.00 H new ATOM 0 HG LEU B 37 -18.952 -2.421 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -17.740 -2.262 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -18.752 -3.724 -5.899 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -19.290 -2.312 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -18.443 -0.211 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -20.000 -0.233 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -19.968 -0.181 -3.868 1.00 0.00 H new ATOM 585 N ALA B 38 -23.586 -3.888 -3.781 1.00 0.00 N ATOM 586 CA ALA B 38 -24.934 -4.138 -4.257 1.00 0.00 C ATOM 587 C ALA B 38 -25.969 -4.296 -3.141 1.00 0.00 C ATOM 588 O ALA B 38 -27.145 -3.993 -3.344 1.00 0.00 O ATOM 589 CB ALA B 38 -24.920 -5.380 -5.115 1.00 0.00 C ATOM 0 H ALA B 38 -23.029 -4.730 -3.633 1.00 0.00 H new ATOM 0 HA ALA B 38 -25.239 -3.260 -4.827 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.927 -5.581 -5.480 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -24.250 -5.230 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.573 -6.227 -4.523 1.00 0.00 H new ATOM 595 N HIS B 39 -25.555 -4.773 -1.972 1.00 0.00 N ATOM 596 CA HIS B 39 -26.528 -5.179 -0.961 1.00 0.00 C ATOM 597 C HIS B 39 -26.973 -4.027 -0.074 1.00 0.00 C ATOM 598 O HIS B 39 -28.094 -4.044 0.434 1.00 0.00 O ATOM 599 CB HIS B 39 -26.005 -6.325 -0.092 1.00 0.00 C ATOM 600 CG HIS B 39 -26.098 -7.676 -0.745 1.00 0.00 C ATOM 601 ND1 HIS B 39 -25.175 -8.409 -1.411 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -27.249 -8.435 -0.742 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.777 -9.580 -1.793 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -27.026 -9.573 -1.376 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.578 -4.887 -1.704 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.397 -5.527 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.964 -6.127 0.165 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -26.566 -6.345 0.842 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -24.209 -8.139 -1.595 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -28.187 -8.145 -0.292 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -25.304 -10.378 -2.346 1.00 0.00 H new ATOM 613 N LEU B 40 -26.126 -3.033 0.132 1.00 0.00 N ATOM 614 CA LEU B 40 -26.500 -1.950 1.028 1.00 0.00 C ATOM 615 C LEU B 40 -26.517 -0.595 0.305 1.00 0.00 C ATOM 616 O LEU B 40 -25.496 0.061 0.129 1.00 0.00 O ATOM 617 CB LEU B 40 -25.621 -1.962 2.305 1.00 0.00 C ATOM 618 CG LEU B 40 -24.311 -1.162 2.311 1.00 0.00 C ATOM 619 CD1 LEU B 40 -23.714 -1.147 3.706 1.00 0.00 C ATOM 620 CD2 LEU B 40 -23.286 -1.717 1.349 1.00 0.00 C ATOM 0 H LEU B 40 -25.203 -2.952 -0.293 1.00 0.00 H new ATOM 0 HA LEU B 40 -27.525 -2.114 1.360 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -26.233 -1.598 3.130 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -25.374 -3.001 2.525 1.00 0.00 H new ATOM 0 HG LEU B 40 -24.562 -0.151 1.990 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -22.785 -0.577 3.698 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -24.418 -0.685 4.398 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -23.510 -2.169 4.025 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -22.380 -1.113 1.395 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -23.051 -2.746 1.622 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -23.687 -1.693 0.336 1.00 0.00 H new ATOM 632 N ASN B 41 -27.708 -0.185 -0.115 1.00 0.00 N ATOM 633 CA ASN B 41 -27.896 1.067 -0.857 1.00 0.00 C ATOM 634 C ASN B 41 -28.155 2.224 0.104 1.00 0.00 C ATOM 635 O ASN B 41 -28.977 3.102 -0.151 1.00 0.00 O ATOM 636 CB ASN B 41 -29.064 0.925 -1.840 1.00 0.00 C ATOM 637 CG ASN B 41 -28.793 -0.103 -2.923 1.00 0.00 C ATOM 638 OD1 ASN B 41 -28.216 0.212 -3.960 1.00 0.00 O ATOM 639 ND2 ASN B 41 -29.222 -1.336 -2.698 1.00 0.00 N ATOM 0 H ASN B 41 -28.571 -0.705 0.046 1.00 0.00 H new ATOM 0 HA ASN B 41 -26.985 1.280 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -29.963 0.642 -1.292 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -29.264 1.891 -2.303 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -29.077 -2.062 -3.399 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -29.697 -1.559 -1.824 1.00 0.00 H new ATOM 646 N THR B 42 -27.417 2.218 1.200 1.00 0.00 N ATOM 647 CA THR B 42 -27.595 3.180 2.281 1.00 0.00 C ATOM 648 C THR B 42 -26.907 4.521 1.993 1.00 0.00 C ATOM 649 O THR B 42 -27.345 5.563 2.465 1.00 0.00 O ATOM 650 CB THR B 42 -27.050 2.590 3.595 1.00 0.00 C ATOM 651 OG1 THR B 42 -26.980 3.596 4.612 1.00 0.00 O ATOM 652 CG2 THR B 42 -25.675 1.960 3.372 1.00 0.00 C ATOM 0 H THR B 42 -26.672 1.542 1.369 1.00 0.00 H new ATOM 0 HA THR B 42 -28.664 3.375 2.369 1.00 0.00 H new ATOM 0 HB THR B 42 -27.737 1.812 3.929 1.00 0.00 H new ATOM 0 HG1 THR B 42 -26.885 3.169 5.489 1.00 0.00 H new ATOM 0 HG21 THR B 42 -25.307 1.549 4.312 1.00 0.00 H new ATOM 0 HG22 THR B 42 -25.756 1.162 2.634 1.00 0.00 H new ATOM 0 HG23 THR B 42 -24.981 2.719 3.011 1.00 0.00 H new ATOM 660 N VAL B 43 -25.835 4.484 1.218 1.00 0.00 N ATOM 661 CA VAL B 43 -25.068 5.683 0.887 1.00 0.00 C ATOM 662 C VAL B 43 -24.607 5.584 -0.576 1.00 0.00 C ATOM 663 O VAL B 43 -24.352 4.478 -1.049 1.00 0.00 O ATOM 664 CB VAL B 43 -23.882 5.879 1.890 1.00 0.00 C ATOM 665 CG1 VAL B 43 -23.459 4.569 2.513 1.00 0.00 C ATOM 666 CG2 VAL B 43 -22.677 6.532 1.253 1.00 0.00 C ATOM 0 H VAL B 43 -25.470 3.628 0.800 1.00 0.00 H new ATOM 0 HA VAL B 43 -25.691 6.572 0.986 1.00 0.00 H new ATOM 0 HB VAL B 43 -24.263 6.546 2.664 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -22.634 4.744 3.203 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.300 4.136 3.055 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -23.138 3.881 1.731 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -21.887 6.642 1.996 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -22.319 5.911 0.432 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -22.955 7.514 0.871 1.00 0.00 H new ATOM 676 N PRO B 44 -24.534 6.712 -1.331 1.00 0.00 N ATOM 677 CA PRO B 44 -24.282 6.677 -2.785 1.00 0.00 C ATOM 678 C PRO B 44 -22.880 6.190 -3.123 1.00 0.00 C ATOM 679 O PRO B 44 -21.903 6.920 -2.965 1.00 0.00 O ATOM 680 CB PRO B 44 -24.453 8.137 -3.208 1.00 0.00 C ATOM 681 CG PRO B 44 -24.119 8.915 -1.983 1.00 0.00 C ATOM 682 CD PRO B 44 -24.653 8.105 -0.838 1.00 0.00 C ATOM 0 HA PRO B 44 -24.952 5.986 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -23.790 8.392 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -25.471 8.338 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -23.043 9.062 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -24.574 9.905 -2.010 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -24.074 8.262 0.072 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -25.686 8.365 -0.607 1.00 0.00 H new ATOM 690 N ARG B 45 -22.774 4.961 -3.597 1.00 0.00 N ATOM 691 CA ARG B 45 -21.474 4.349 -3.771 1.00 0.00 C ATOM 692 C ARG B 45 -21.030 4.322 -5.213 1.00 0.00 C ATOM 693 O ARG B 45 -21.796 3.993 -6.121 1.00 0.00 O ATOM 694 CB ARG B 45 -21.451 2.907 -3.282 1.00 0.00 C ATOM 695 CG ARG B 45 -22.216 2.650 -2.011 1.00 0.00 C ATOM 696 CD ARG B 45 -21.621 3.382 -0.825 1.00 0.00 C ATOM 697 NE ARG B 45 -21.557 2.535 0.356 1.00 0.00 N ATOM 698 CZ ARG B 45 -22.610 1.941 0.912 1.00 0.00 C ATOM 699 NH1 ARG B 45 -23.822 2.081 0.390 1.00 0.00 N ATOM 700 NH2 ARG B 45 -22.453 1.229 2.014 1.00 0.00 N ATOM 0 H ARG B 45 -23.565 4.375 -3.865 1.00 0.00 H new ATOM 0 HA ARG B 45 -20.799 4.970 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -21.855 2.267 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -20.414 2.608 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -23.252 2.960 -2.144 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.227 1.579 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -20.619 3.730 -1.078 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -22.220 4.266 -0.606 1.00 0.00 H new ATOM 0 HE ARG B 45 -20.644 2.387 0.787 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -23.954 2.649 -0.447 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -24.621 1.621 0.826 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -21.528 1.137 2.434 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -23.257 0.772 2.444 1.00 0.00 H new ATOM 714 N THR B 46 -19.786 4.683 -5.396 1.00 0.00 N ATOM 715 CA THR B 46 -19.019 4.242 -6.528 1.00 0.00 C ATOM 716 C THR B 46 -18.327 2.951 -6.111 1.00 0.00 C ATOM 717 O THR B 46 -18.387 2.586 -4.932 1.00 0.00 O ATOM 718 CB THR B 46 -17.979 5.303 -6.914 1.00 0.00 C ATOM 719 OG1 THR B 46 -17.235 5.696 -5.751 1.00 0.00 O ATOM 720 CG2 THR B 46 -18.664 6.519 -7.513 1.00 0.00 C ATOM 0 H THR B 46 -19.276 5.295 -4.759 1.00 0.00 H new ATOM 0 HA THR B 46 -19.659 4.081 -7.395 1.00 0.00 H new ATOM 0 HB THR B 46 -17.302 4.878 -7.655 1.00 0.00 H new ATOM 0 HG1 THR B 46 -17.082 6.664 -5.772 1.00 0.00 H new ATOM 0 HG21 THR B 46 -17.914 7.263 -7.782 1.00 0.00 H new ATOM 0 HG22 THR B 46 -19.217 6.223 -8.404 1.00 0.00 H new ATOM 0 HG23 THR B 46 -19.353 6.945 -6.783 1.00 0.00 H new ATOM 728 N ARG B 47 -17.691 2.249 -7.034 1.00 0.00 N ATOM 729 CA ARG B 47 -16.934 1.055 -6.666 1.00 0.00 C ATOM 730 C ARG B 47 -15.854 1.424 -5.650 1.00 0.00 C ATOM 731 O ARG B 47 -15.632 0.724 -4.657 1.00 0.00 O ATOM 732 CB ARG B 47 -16.310 0.407 -7.908 1.00 0.00 C ATOM 733 CG ARG B 47 -17.125 -0.743 -8.491 1.00 0.00 C ATOM 734 CD ARG B 47 -18.575 -0.356 -8.757 1.00 0.00 C ATOM 735 NE ARG B 47 -18.698 0.772 -9.681 1.00 0.00 N ATOM 736 CZ ARG B 47 -19.864 1.238 -10.130 1.00 0.00 C ATOM 737 NH1 ARG B 47 -21.000 0.629 -9.805 1.00 0.00 N ATOM 738 NH2 ARG B 47 -19.893 2.298 -10.925 1.00 0.00 N ATOM 0 H ARG B 47 -17.680 2.476 -8.028 1.00 0.00 H new ATOM 0 HA ARG B 47 -17.612 0.331 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -16.180 1.170 -8.675 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -15.316 0.040 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -16.665 -1.075 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -17.098 -1.588 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -19.107 -1.215 -9.166 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -19.058 -0.102 -7.813 1.00 0.00 H new ATOM 0 HE ARG B 47 -17.843 1.228 -10.000 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -20.983 -0.199 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -21.889 0.990 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -19.023 2.758 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -20.785 2.654 -11.268 1.00 0.00 H new ATOM 752 N LYS B 48 -15.231 2.563 -5.899 1.00 0.00 N ATOM 753 CA LYS B 48 -14.192 3.113 -5.043 1.00 0.00 C ATOM 754 C LYS B 48 -14.689 3.374 -3.613 1.00 0.00 C ATOM 755 O LYS B 48 -13.925 3.226 -2.654 1.00 0.00 O ATOM 756 CB LYS B 48 -13.699 4.413 -5.675 1.00 0.00 C ATOM 757 CG LYS B 48 -12.814 5.256 -4.777 1.00 0.00 C ATOM 758 CD LYS B 48 -12.801 6.707 -5.229 1.00 0.00 C ATOM 759 CE LYS B 48 -14.151 7.376 -4.993 1.00 0.00 C ATOM 760 NZ LYS B 48 -14.228 8.716 -5.637 1.00 0.00 N ATOM 0 H LYS B 48 -15.435 3.141 -6.714 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.384 2.386 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.148 4.173 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.563 5.007 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.171 5.195 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.799 4.860 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -12.025 7.250 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -12.549 6.757 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.945 6.739 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.323 7.478 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -15.161 9.137 -5.453 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -13.487 9.332 -5.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -14.090 8.617 -6.663 1.00 0.00 H new ATOM 774 N GLN B 49 -15.965 3.749 -3.480 1.00 0.00 N ATOM 775 CA GLN B 49 -16.540 4.122 -2.180 1.00 0.00 C ATOM 776 C GLN B 49 -16.292 3.053 -1.120 1.00 0.00 C ATOM 777 O GLN B 49 -15.617 3.311 -0.124 1.00 0.00 O ATOM 778 CB GLN B 49 -18.047 4.399 -2.300 1.00 0.00 C ATOM 779 CG GLN B 49 -18.404 5.880 -2.205 1.00 0.00 C ATOM 780 CD GLN B 49 -19.068 6.239 -0.886 1.00 0.00 C ATOM 781 OE1 GLN B 49 -18.392 6.510 0.105 1.00 0.00 O ATOM 782 NE2 GLN B 49 -20.398 6.282 -0.873 1.00 0.00 N ATOM 0 H GLN B 49 -16.622 3.803 -4.258 1.00 0.00 H new ATOM 0 HA GLN B 49 -16.036 5.036 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -18.406 4.007 -3.252 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -18.572 3.856 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -17.500 6.476 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -19.071 6.142 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -20.924 6.050 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -20.891 6.547 -0.020 1.00 0.00 H new ATOM 791 N ILE B 50 -16.816 1.851 -1.332 1.00 0.00 N ATOM 792 CA ILE B 50 -16.660 0.785 -0.346 1.00 0.00 C ATOM 793 C ILE B 50 -15.200 0.383 -0.206 1.00 0.00 C ATOM 794 O ILE B 50 -14.698 0.248 0.913 1.00 0.00 O ATOM 795 CB ILE B 50 -17.512 -0.464 -0.677 1.00 0.00 C ATOM 796 CG1 ILE B 50 -18.979 -0.213 -0.346 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.013 -1.687 0.077 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.799 0.213 -1.529 1.00 0.00 C ATOM 0 H ILE B 50 -17.345 1.591 -2.164 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.019 1.190 0.600 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.416 -0.657 -1.745 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.408 -1.122 0.074 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.042 0.555 0.425 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -17.632 -2.548 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -15.979 -1.889 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.071 -1.502 1.150 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.831 0.373 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.395 1.140 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.767 -0.564 -2.293 1.00 0.00 H new ATOM 810 N ILE B 51 -14.520 0.222 -1.340 1.00 0.00 N ATOM 811 CA ILE B 51 -13.123 -0.198 -1.347 1.00 0.00 C ATOM 812 C ILE B 51 -12.276 0.673 -0.430 1.00 0.00 C ATOM 813 O ILE B 51 -11.518 0.173 0.406 1.00 0.00 O ATOM 814 CB ILE B 51 -12.527 -0.130 -2.764 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.286 -1.063 -3.710 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.045 -0.479 -2.727 1.00 0.00 C ATOM 817 CD1 ILE B 51 -12.872 -0.938 -5.161 1.00 0.00 C ATOM 0 H ILE B 51 -14.917 0.377 -2.267 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.107 -1.228 -0.990 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.630 0.888 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.135 -2.093 -3.387 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.353 -0.857 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.634 -0.428 -3.735 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.521 0.228 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -10.919 -1.488 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.455 -1.631 -5.767 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.050 0.081 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.812 -1.174 -5.259 1.00 0.00 H new ATOM 829 N HIS B 52 -12.428 1.976 -0.588 1.00 0.00 N ATOM 830 CA HIS B 52 -11.632 2.934 0.152 1.00 0.00 C ATOM 831 C HIS B 52 -11.847 2.816 1.653 1.00 0.00 C ATOM 832 O HIS B 52 -10.890 2.697 2.403 1.00 0.00 O ATOM 833 CB HIS B 52 -11.940 4.350 -0.319 1.00 0.00 C ATOM 834 CG HIS B 52 -10.990 4.843 -1.362 1.00 0.00 C ATOM 835 ND1 HIS B 52 -10.461 6.110 -1.339 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.451 4.230 -2.451 1.00 0.00 C ATOM 837 CE1 HIS B 52 -9.634 6.260 -2.351 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.606 5.137 -3.046 1.00 0.00 N ATOM 0 H HIS B 52 -13.102 2.396 -1.228 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.583 2.710 -0.044 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.954 4.381 -0.717 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.912 5.025 0.537 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.649 3.222 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -9.071 7.154 -2.576 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -9.050 4.970 -3.885 1.00 0.00 H new ATOM 847 N HIS B 53 -13.097 2.819 2.088 1.00 0.00 N ATOM 848 CA HIS B 53 -13.387 2.831 3.522 1.00 0.00 C ATOM 849 C HIS B 53 -12.952 1.531 4.191 1.00 0.00 C ATOM 850 O HIS B 53 -12.721 1.500 5.390 1.00 0.00 O ATOM 851 CB HIS B 53 -14.868 3.091 3.790 1.00 0.00 C ATOM 852 CG HIS B 53 -15.366 4.357 3.173 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.750 5.577 3.338 1.00 0.00 N ATOM 854 CD2 HIS B 53 -16.397 4.572 2.336 1.00 0.00 C ATOM 855 CE1 HIS B 53 -15.382 6.487 2.623 1.00 0.00 C ATOM 856 NE2 HIS B 53 -16.389 5.904 2.001 1.00 0.00 N ATOM 0 H HIS B 53 -13.919 2.813 1.484 1.00 0.00 H new ATOM 0 HA HIS B 53 -12.811 3.649 3.956 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.452 2.254 3.407 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -15.034 3.130 4.867 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -17.103 3.831 1.990 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -15.120 7.533 2.558 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -17.050 6.365 1.376 1.00 0.00 H new ATOM 865 N LEU B 54 -12.829 0.471 3.408 1.00 0.00 N ATOM 866 CA LEU B 54 -12.421 -0.828 3.936 1.00 0.00 C ATOM 867 C LEU B 54 -10.924 -0.837 4.214 1.00 0.00 C ATOM 868 O LEU B 54 -10.483 -1.199 5.307 1.00 0.00 O ATOM 869 CB LEU B 54 -12.769 -1.954 2.956 1.00 0.00 C ATOM 870 CG LEU B 54 -14.238 -2.393 2.931 1.00 0.00 C ATOM 871 CD1 LEU B 54 -14.471 -3.372 1.794 1.00 0.00 C ATOM 872 CD2 LEU B 54 -14.644 -3.033 4.253 1.00 0.00 C ATOM 0 H LEU B 54 -13.005 0.481 2.403 1.00 0.00 H new ATOM 0 HA LEU B 54 -12.963 -0.997 4.866 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.489 -1.635 1.952 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.155 -2.822 3.198 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.852 -1.505 2.777 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.517 -3.677 1.785 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.225 -2.894 0.846 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -13.838 -4.249 1.933 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -15.691 -3.334 4.205 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.023 -3.909 4.439 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.510 -2.314 5.062 1.00 0.00 H new ATOM 884 N VAL B 55 -10.143 -0.424 3.224 1.00 0.00 N ATOM 885 CA VAL B 55 -8.696 -0.382 3.371 1.00 0.00 C ATOM 886 C VAL B 55 -8.298 0.715 4.348 1.00 0.00 C ATOM 887 O VAL B 55 -7.323 0.585 5.089 1.00 0.00 O ATOM 888 CB VAL B 55 -7.991 -0.173 2.010 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.411 -1.253 1.031 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.283 1.204 1.433 1.00 0.00 C ATOM 0 H VAL B 55 -10.486 -0.115 2.315 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.373 -1.345 3.766 1.00 0.00 H new ATOM 0 HB VAL B 55 -6.916 -0.241 2.178 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -7.908 -1.095 0.077 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.137 -2.230 1.428 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.490 -1.211 0.884 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.771 1.314 0.477 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.357 1.316 1.284 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.931 1.970 2.124 1.00 0.00 H new ATOM 900 N GLN B 56 -9.091 1.776 4.368 1.00 0.00 N ATOM 901 CA GLN B 56 -8.880 2.887 5.278 1.00 0.00 C ATOM 902 C GLN B 56 -9.287 2.512 6.700 1.00 0.00 C ATOM 903 O GLN B 56 -8.869 3.151 7.667 1.00 0.00 O ATOM 904 CB GLN B 56 -9.674 4.105 4.801 1.00 0.00 C ATOM 905 CG GLN B 56 -9.082 4.788 3.575 1.00 0.00 C ATOM 906 CD GLN B 56 -9.815 6.059 3.211 1.00 0.00 C ATOM 907 OE1 GLN B 56 -10.324 6.767 4.079 1.00 0.00 O ATOM 908 NE2 GLN B 56 -9.892 6.348 1.923 1.00 0.00 N ATOM 0 H GLN B 56 -9.897 1.889 3.754 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.818 3.132 5.286 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.694 3.795 4.575 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -9.734 4.828 5.614 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -8.033 5.018 3.762 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -9.112 4.100 2.730 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -9.456 5.734 1.236 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -10.388 7.185 1.617 1.00 0.00 H new ATOM 917 N MET B 57 -10.091 1.461 6.822 1.00 0.00 N ATOM 918 CA MET B 57 -10.566 1.003 8.124 1.00 0.00 C ATOM 919 C MET B 57 -9.542 0.063 8.757 1.00 0.00 C ATOM 920 O MET B 57 -9.706 -0.389 9.893 1.00 0.00 O ATOM 921 CB MET B 57 -11.920 0.300 7.978 1.00 0.00 C ATOM 922 CG MET B 57 -12.865 0.518 9.152 1.00 0.00 C ATOM 923 SD MET B 57 -14.483 -0.250 8.902 1.00 0.00 S ATOM 924 CE MET B 57 -15.030 0.546 7.388 1.00 0.00 C ATOM 0 H MET B 57 -10.428 0.909 6.034 1.00 0.00 H new ATOM 0 HA MET B 57 -10.694 1.868 8.775 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.403 0.652 7.067 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.750 -0.770 7.856 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.412 0.113 10.057 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.997 1.588 9.312 1.00 0.00 H new ATOM 0 HE1 MET B 57 -16.101 0.743 7.447 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.495 1.487 7.258 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.827 -0.107 6.540 1.00 0.00 H new ATOM 934 N GLY B 58 -8.487 -0.235 8.004 1.00 0.00 N ATOM 935 CA GLY B 58 -7.406 -1.060 8.515 1.00 0.00 C ATOM 936 C GLY B 58 -7.730 -2.540 8.480 1.00 0.00 C ATOM 937 O GLY B 58 -6.933 -3.367 8.920 1.00 0.00 O ATOM 0 H GLY B 58 -8.361 0.083 7.043 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.506 -0.876 7.928 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -7.184 -0.765 9.541 1.00 0.00 H new ATOM 941 N LEU B 59 -8.896 -2.877 7.954 1.00 0.00 N ATOM 942 CA LEU B 59 -9.318 -4.266 7.881 1.00 0.00 C ATOM 943 C LEU B 59 -8.937 -4.873 6.537 1.00 0.00 C ATOM 944 O LEU B 59 -8.929 -6.092 6.374 1.00 0.00 O ATOM 945 CB LEU B 59 -10.827 -4.379 8.139 1.00 0.00 C ATOM 946 CG LEU B 59 -11.723 -3.515 7.243 1.00 0.00 C ATOM 947 CD1 LEU B 59 -11.980 -4.200 5.914 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.036 -3.200 7.941 1.00 0.00 C ATOM 0 H LEU B 59 -9.566 -2.209 7.572 1.00 0.00 H new ATOM 0 HA LEU B 59 -8.801 -4.831 8.657 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.120 -5.422 8.017 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.020 -4.113 9.178 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.202 -2.578 7.049 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.618 -3.568 5.296 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.032 -4.369 5.403 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -12.475 -5.156 6.087 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.657 -2.586 7.288 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.558 -4.129 8.170 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -12.836 -2.659 8.866 1.00 0.00 H new ATOM 960 N ALA B 60 -8.627 -4.014 5.577 1.00 0.00 N ATOM 961 CA ALA B 60 -8.183 -4.470 4.265 1.00 0.00 C ATOM 962 C ALA B 60 -6.802 -3.914 3.940 1.00 0.00 C ATOM 963 O ALA B 60 -6.366 -2.926 4.540 1.00 0.00 O ATOM 964 CB ALA B 60 -9.187 -4.075 3.193 1.00 0.00 C ATOM 0 H ALA B 60 -8.674 -3.000 5.680 1.00 0.00 H new ATOM 0 HA ALA B 60 -8.115 -5.558 4.286 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -8.838 -4.424 2.221 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -10.153 -4.527 3.415 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -9.290 -2.990 3.173 1.00 0.00 H new ATOM 970 N ASP B 61 -6.122 -4.549 2.990 1.00 0.00 N ATOM 971 CA ASP B 61 -4.761 -4.163 2.622 1.00 0.00 C ATOM 972 C ASP B 61 -4.726 -2.878 1.811 1.00 0.00 C ATOM 973 O ASP B 61 -4.251 -1.843 2.282 1.00 0.00 O ATOM 974 CB ASP B 61 -4.086 -5.275 1.812 1.00 0.00 C ATOM 975 CG ASP B 61 -3.424 -6.315 2.686 1.00 0.00 C ATOM 976 OD1 ASP B 61 -4.123 -7.230 3.167 1.00 0.00 O ATOM 977 OD2 ASP B 61 -2.190 -6.230 2.878 1.00 0.00 O ATOM 0 H ASP B 61 -6.492 -5.337 2.458 1.00 0.00 H new ATOM 0 HA ASP B 61 -4.223 -3.997 3.555 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.829 -5.759 1.178 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -3.340 -4.835 1.150 1.00 0.00 H new ATOM 982 N SER B 62 -5.235 -2.936 0.590 1.00 0.00 N ATOM 983 CA SER B 62 -5.139 -1.808 -0.325 1.00 0.00 C ATOM 984 C SER B 62 -6.220 -1.872 -1.388 1.00 0.00 C ATOM 985 O SER B 62 -6.815 -2.922 -1.625 1.00 0.00 O ATOM 986 CB SER B 62 -3.779 -1.801 -1.018 1.00 0.00 C ATOM 987 OG SER B 62 -2.707 -1.816 -0.085 1.00 0.00 O ATOM 0 H SER B 62 -5.718 -3.750 0.210 1.00 0.00 H new ATOM 0 HA SER B 62 -5.265 -0.899 0.263 1.00 0.00 H new ATOM 0 HB2 SER B 62 -3.701 -2.668 -1.674 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.698 -0.916 -1.649 1.00 0.00 H new ATOM 0 HG SER B 62 -1.854 -1.813 -0.567 1.00 0.00 H new ATOM 993 N VAL B 63 -6.444 -0.740 -2.040 1.00 0.00 N ATOM 994 CA VAL B 63 -7.378 -0.652 -3.153 1.00 0.00 C ATOM 995 C VAL B 63 -6.851 -1.463 -4.333 1.00 0.00 C ATOM 996 O VAL B 63 -7.600 -1.846 -5.235 1.00 0.00 O ATOM 997 CB VAL B 63 -7.579 0.817 -3.571 1.00 0.00 C ATOM 998 CG1 VAL B 63 -8.643 0.950 -4.648 1.00 0.00 C ATOM 999 CG2 VAL B 63 -7.931 1.655 -2.353 1.00 0.00 C ATOM 0 H VAL B 63 -5.984 0.142 -1.813 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.339 -1.058 -2.839 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.645 1.184 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -8.758 2.000 -4.918 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -8.344 0.380 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -9.591 0.566 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -8.072 2.693 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -8.851 1.279 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.123 1.595 -1.624 1.00 0.00 H new ATOM 1009 N LYS B 64 -5.546 -1.701 -4.300 1.00 0.00 N ATOM 1010 CA LYS B 64 -4.857 -2.576 -5.235 1.00 0.00 C ATOM 1011 C LYS B 64 -5.614 -3.872 -5.475 1.00 0.00 C ATOM 1012 O LYS B 64 -5.843 -4.278 -6.613 1.00 0.00 O ATOM 1013 CB LYS B 64 -3.513 -2.946 -4.630 1.00 0.00 C ATOM 1014 CG LYS B 64 -2.323 -2.535 -5.453 1.00 0.00 C ATOM 1015 CD LYS B 64 -1.015 -2.957 -4.796 1.00 0.00 C ATOM 1016 CE LYS B 64 -0.877 -4.475 -4.688 1.00 0.00 C ATOM 1017 NZ LYS B 64 -1.472 -5.028 -3.434 1.00 0.00 N ATOM 0 H LYS B 64 -4.926 -1.282 -3.607 1.00 0.00 H new ATOM 0 HA LYS B 64 -4.763 -2.046 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -3.434 -2.486 -3.645 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -3.481 -4.025 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -2.394 -2.982 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -2.330 -1.454 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -0.179 -2.559 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -0.954 -2.518 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -1.359 -4.940 -5.548 1.00 0.00 H new ATOM 0 HE3 LYS B 64 0.179 -4.742 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -0.824 -5.730 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -1.625 -4.257 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -2.381 -5.483 -3.652 1.00 0.00 H new ATOM 1031 N ASP B 65 -5.983 -4.510 -4.382 1.00 0.00 N ATOM 1032 CA ASP B 65 -6.497 -5.865 -4.416 1.00 0.00 C ATOM 1033 C ASP B 65 -7.998 -5.887 -4.644 1.00 0.00 C ATOM 1034 O ASP B 65 -8.593 -6.951 -4.809 1.00 0.00 O ATOM 1035 CB ASP B 65 -6.117 -6.590 -3.126 1.00 0.00 C ATOM 1036 CG ASP B 65 -4.611 -6.702 -2.974 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -3.970 -5.703 -2.575 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -4.052 -7.775 -3.289 1.00 0.00 O ATOM 0 H ASP B 65 -5.935 -4.105 -3.447 1.00 0.00 H new ATOM 0 HA ASP B 65 -6.045 -6.388 -5.258 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -6.531 -6.055 -2.271 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -6.559 -7.586 -3.123 1.00 0.00 H new ATOM 1043 N PHE B 66 -8.617 -4.715 -4.639 1.00 0.00 N ATOM 1044 CA PHE B 66 -10.036 -4.627 -4.942 1.00 0.00 C ATOM 1045 C PHE B 66 -10.248 -4.331 -6.414 1.00 0.00 C ATOM 1046 O PHE B 66 -10.982 -5.049 -7.089 1.00 0.00 O ATOM 1047 CB PHE B 66 -10.705 -3.529 -4.128 1.00 0.00 C ATOM 1048 CG PHE B 66 -10.817 -3.806 -2.659 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -9.684 -3.935 -1.878 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -12.061 -3.906 -2.053 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -9.784 -4.157 -0.523 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -12.165 -4.134 -0.697 1.00 0.00 C ATOM 1053 CZ PHE B 66 -11.024 -4.260 0.068 1.00 0.00 C ATOM 0 H PHE B 66 -8.166 -3.824 -4.431 1.00 0.00 H new ATOM 0 HA PHE B 66 -10.482 -5.588 -4.687 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -10.146 -2.604 -4.266 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -11.705 -3.360 -4.527 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -8.709 -3.861 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -12.956 -3.804 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -8.890 -4.250 0.076 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -13.138 -4.214 -0.235 1.00 0.00 H new ATOM 0 HZ PHE B 66 -11.103 -4.439 1.130 1.00 0.00 H new ATOM 1184 N VAL B 74 5.030 3.121 -8.900 1.00 0.00 N ATOM 1185 CA VAL B 74 5.884 4.279 -8.704 1.00 0.00 C ATOM 1186 C VAL B 74 5.230 5.503 -9.335 1.00 0.00 C ATOM 1187 O VAL B 74 4.625 5.385 -10.389 1.00 0.00 O ATOM 1188 CB VAL B 74 7.276 4.024 -9.346 1.00 0.00 C ATOM 1189 CG1 VAL B 74 7.153 3.118 -10.568 1.00 0.00 C ATOM 1190 CG2 VAL B 74 7.944 5.326 -9.747 1.00 0.00 C ATOM 0 HA VAL B 74 6.019 4.455 -7.637 1.00 0.00 H new ATOM 0 HB VAL B 74 7.893 3.530 -8.595 1.00 0.00 H new ATOM 0 HG11 VAL B 74 8.140 2.954 -11.000 1.00 0.00 H new ATOM 0 HG12 VAL B 74 6.724 2.161 -10.270 1.00 0.00 H new ATOM 0 HG13 VAL B 74 6.507 3.591 -11.308 1.00 0.00 H new ATOM 0 HG21 VAL B 74 8.916 5.114 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL B 74 7.318 5.848 -10.471 1.00 0.00 H new ATOM 0 HG23 VAL B 74 8.078 5.953 -8.865 1.00 0.00 H new ATOM 1200 N LEU B 75 5.323 6.658 -8.686 1.00 0.00 N ATOM 1201 CA LEU B 75 4.732 7.878 -9.232 1.00 0.00 C ATOM 1202 C LEU B 75 5.263 8.156 -10.646 1.00 0.00 C ATOM 1203 O LEU B 75 6.338 8.717 -10.835 1.00 0.00 O ATOM 1204 CB LEU B 75 4.966 9.090 -8.303 1.00 0.00 C ATOM 1205 CG LEU B 75 6.400 9.649 -8.226 1.00 0.00 C ATOM 1206 CD1 LEU B 75 6.390 11.040 -7.620 1.00 0.00 C ATOM 1207 CD2 LEU B 75 7.309 8.735 -7.420 1.00 0.00 C ATOM 0 H LEU B 75 5.796 6.777 -7.790 1.00 0.00 H new ATOM 0 HA LEU B 75 3.655 7.722 -9.297 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.306 9.895 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.658 8.809 -7.296 1.00 0.00 H new ATOM 0 HG LEU B 75 6.792 9.703 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU B 75 7.409 11.423 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU B 75 5.783 11.702 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.971 10.996 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU B 75 8.313 9.159 -7.385 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.921 8.638 -6.406 1.00 0.00 H new ATOM 0 HD23 LEU B 75 7.346 7.752 -7.890 1.00 0.00 H new ATOM 1219 N TRP B 76 4.514 7.707 -11.644 1.00 0.00 N ATOM 1220 CA TRP B 76 4.901 7.889 -13.029 1.00 0.00 C ATOM 1221 C TRP B 76 4.528 9.281 -13.497 1.00 0.00 C ATOM 1222 O TRP B 76 3.350 9.620 -13.611 1.00 0.00 O ATOM 1223 CB TRP B 76 4.246 6.828 -13.919 1.00 0.00 C ATOM 1224 CG TRP B 76 5.020 5.543 -14.016 1.00 0.00 C ATOM 1225 CD1 TRP B 76 5.158 4.603 -13.043 1.00 0.00 C ATOM 1226 CD2 TRP B 76 5.736 5.038 -15.158 1.00 0.00 C ATOM 1227 NE1 TRP B 76 5.912 3.553 -13.497 1.00 0.00 N ATOM 1228 CE2 TRP B 76 6.276 3.791 -14.790 1.00 0.00 C ATOM 1229 CE3 TRP B 76 5.971 5.510 -16.453 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 7.030 3.014 -15.660 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 6.721 4.730 -17.320 1.00 0.00 C ATOM 1232 CH2 TRP B 76 7.237 3.497 -16.919 1.00 0.00 C ATOM 0 H TRP B 76 3.631 7.212 -11.515 1.00 0.00 H new ATOM 0 HA TRP B 76 5.982 7.773 -13.104 1.00 0.00 H new ATOM 0 HB2 TRP B 76 3.250 6.611 -13.534 1.00 0.00 H new ATOM 0 HB3 TRP B 76 4.118 7.239 -14.921 1.00 0.00 H new ATOM 0 HD1 TRP B 76 4.733 4.674 -12.053 1.00 0.00 H new ATOM 0 HE1 TRP B 76 6.161 2.726 -12.955 1.00 0.00 H new ATOM 0 HE3 TRP B 76 5.576 6.463 -16.772 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 7.437 2.063 -15.351 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 6.909 5.083 -18.323 1.00 0.00 H new ATOM 0 HH2 TRP B 76 7.813 2.912 -17.621 1.00 0.00 H new ATOM 1243 N THR B 77 5.542 10.090 -13.715 1.00 0.00 N ATOM 1244 CA THR B 77 5.361 11.436 -14.213 1.00 0.00 C ATOM 1245 C THR B 77 5.684 11.493 -15.705 1.00 0.00 C ATOM 1246 O THR B 77 6.118 10.492 -16.284 1.00 0.00 O ATOM 1247 CB THR B 77 6.264 12.406 -13.433 1.00 0.00 C ATOM 1248 OG1 THR B 77 7.605 11.901 -13.425 1.00 0.00 O ATOM 1249 CG2 THR B 77 5.776 12.567 -11.999 1.00 0.00 C ATOM 0 H THR B 77 6.516 9.833 -13.552 1.00 0.00 H new ATOM 0 HA THR B 77 4.321 11.731 -14.072 1.00 0.00 H new ATOM 0 HB THR B 77 6.233 13.380 -13.921 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.218 12.596 -13.743 1.00 0.00 H new ATOM 0 HG21 THR B 77 6.431 13.258 -11.467 1.00 0.00 H new ATOM 0 HG22 THR B 77 4.759 12.960 -12.003 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.788 11.598 -11.500 1.00 0.00 H new ATOM 1257 N GLY B 78 5.485 12.656 -16.315 1.00 0.00 N ATOM 1258 CA GLY B 78 5.711 12.807 -17.742 1.00 0.00 C ATOM 1259 C GLY B 78 7.130 12.464 -18.153 1.00 0.00 C ATOM 1260 O GLY B 78 7.344 11.812 -19.173 1.00 0.00 O ATOM 0 H GLY B 78 5.169 13.503 -15.843 1.00 0.00 H new ATOM 0 HA2 GLY B 78 5.016 12.167 -18.285 1.00 0.00 H new ATOM 0 HA3 GLY B 78 5.492 13.834 -18.033 1.00 0.00 H new ATOM 1264 N ASP B 79 8.097 12.896 -17.352 1.00 0.00 N ATOM 1265 CA ASP B 79 9.502 12.617 -17.628 1.00 0.00 C ATOM 1266 C ASP B 79 9.784 11.123 -17.517 1.00 0.00 C ATOM 1267 O ASP B 79 10.388 10.546 -18.412 1.00 0.00 O ATOM 1268 CB ASP B 79 10.421 13.415 -16.688 1.00 0.00 C ATOM 1269 CG ASP B 79 10.193 13.110 -15.221 1.00 0.00 C ATOM 1270 OD1 ASP B 79 9.182 13.591 -14.662 1.00 0.00 O ATOM 1271 OD2 ASP B 79 11.019 12.396 -14.617 1.00 0.00 O ATOM 0 H ASP B 79 7.934 13.441 -16.505 1.00 0.00 H new ATOM 0 HA ASP B 79 9.713 12.933 -18.650 1.00 0.00 H new ATOM 0 HB2 ASP B 79 11.460 13.200 -16.939 1.00 0.00 H new ATOM 0 HB3 ASP B 79 10.266 14.480 -16.858 1.00 0.00 H new ATOM 1276 N GLN B 80 9.307 10.489 -16.446 1.00 0.00 N ATOM 1277 CA GLN B 80 9.537 9.059 -16.242 1.00 0.00 C ATOM 1278 C GLN B 80 8.900 8.241 -17.350 1.00 0.00 C ATOM 1279 O GLN B 80 9.466 7.244 -17.811 1.00 0.00 O ATOM 1280 CB GLN B 80 8.979 8.584 -14.904 1.00 0.00 C ATOM 1281 CG GLN B 80 9.615 9.242 -13.698 1.00 0.00 C ATOM 1282 CD GLN B 80 9.496 8.395 -12.447 1.00 0.00 C ATOM 1283 OE1 GLN B 80 8.456 7.579 -12.372 1.00 0.00 O flip ATOM 1284 NE2 GLN B 80 10.353 8.443 -11.567 1.00 0.00 N flip ATOM 0 H GLN B 80 8.762 10.939 -15.711 1.00 0.00 H new ATOM 0 HA GLN B 80 10.617 8.913 -16.250 1.00 0.00 H new ATOM 0 HB2 GLN B 80 7.906 8.773 -14.883 1.00 0.00 H new ATOM 0 HB3 GLN B 80 9.114 7.505 -14.829 1.00 0.00 H new ATOM 0 HG2 GLN B 80 10.668 9.433 -13.905 1.00 0.00 H new ATOM 0 HG3 GLN B 80 9.144 10.209 -13.525 1.00 0.00 H new ATOM 0 HE21 GLN B 80 11.141 9.084 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN B 80 10.276 7.842 -10.746 1.00 0.00 H new ATOM 1293 N GLU B 81 7.718 8.663 -17.765 1.00 0.00 N ATOM 1294 CA GLU B 81 6.997 7.970 -18.809 1.00 0.00 C ATOM 1295 C GLU B 81 7.748 8.097 -20.124 1.00 0.00 C ATOM 1296 O GLU B 81 7.854 7.141 -20.886 1.00 0.00 O ATOM 1297 CB GLU B 81 5.574 8.514 -18.920 1.00 0.00 C ATOM 1298 CG GLU B 81 4.649 7.632 -19.741 1.00 0.00 C ATOM 1299 CD GLU B 81 3.189 7.930 -19.483 1.00 0.00 C ATOM 1300 OE1 GLU B 81 2.626 8.800 -20.175 1.00 0.00 O ATOM 1301 OE2 GLU B 81 2.597 7.280 -18.595 1.00 0.00 O ATOM 0 H GLU B 81 7.240 9.483 -17.392 1.00 0.00 H new ATOM 0 HA GLU B 81 6.926 6.911 -18.560 1.00 0.00 H new ATOM 0 HB2 GLU B 81 5.159 8.629 -17.919 1.00 0.00 H new ATOM 0 HB3 GLU B 81 5.607 9.507 -19.368 1.00 0.00 H new ATOM 0 HG2 GLU B 81 4.864 7.772 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU B 81 4.850 6.586 -19.510 1.00 0.00 H new ATOM 1308 N LEU B 82 8.301 9.276 -20.356 1.00 0.00 N ATOM 1309 CA LEU B 82 9.116 9.527 -21.533 1.00 0.00 C ATOM 1310 C LEU B 82 10.410 8.703 -21.467 1.00 0.00 C ATOM 1311 O LEU B 82 10.818 8.098 -22.463 1.00 0.00 O ATOM 1312 CB LEU B 82 9.395 11.039 -21.631 1.00 0.00 C ATOM 1313 CG LEU B 82 10.242 11.533 -22.815 1.00 0.00 C ATOM 1314 CD1 LEU B 82 11.725 11.372 -22.527 1.00 0.00 C ATOM 1315 CD2 LEU B 82 9.860 10.809 -24.099 1.00 0.00 C ATOM 0 H LEU B 82 8.199 10.081 -19.738 1.00 0.00 H new ATOM 0 HA LEU B 82 8.587 9.216 -22.434 1.00 0.00 H new ATOM 0 HB2 LEU B 82 8.436 11.556 -21.666 1.00 0.00 H new ATOM 0 HB3 LEU B 82 9.891 11.349 -20.711 1.00 0.00 H new ATOM 0 HG LEU B 82 10.037 12.595 -22.952 1.00 0.00 H new ATOM 0 HD11 LEU B 82 12.302 11.729 -23.380 1.00 0.00 H new ATOM 0 HD12 LEU B 82 11.989 11.952 -21.642 1.00 0.00 H new ATOM 0 HD13 LEU B 82 11.949 10.320 -22.352 1.00 0.00 H new ATOM 0 HD21 LEU B 82 10.474 11.177 -24.921 1.00 0.00 H new ATOM 0 HD22 LEU B 82 10.023 9.738 -23.975 1.00 0.00 H new ATOM 0 HD23 LEU B 82 8.809 10.992 -24.321 1.00 0.00 H new ATOM 1327 N GLU B 83 11.033 8.667 -20.289 1.00 0.00 N ATOM 1328 CA GLU B 83 12.278 7.921 -20.092 1.00 0.00 C ATOM 1329 C GLU B 83 12.118 6.456 -20.469 1.00 0.00 C ATOM 1330 O GLU B 83 12.786 5.949 -21.375 1.00 0.00 O ATOM 1331 CB GLU B 83 12.722 7.961 -18.628 1.00 0.00 C ATOM 1332 CG GLU B 83 13.051 9.335 -18.088 1.00 0.00 C ATOM 1333 CD GLU B 83 13.397 9.290 -16.615 1.00 0.00 C ATOM 1334 OE1 GLU B 83 14.223 10.112 -16.168 1.00 0.00 O ATOM 1335 OE2 GLU B 83 12.853 8.418 -15.897 1.00 0.00 O ATOM 0 H GLU B 83 10.696 9.147 -19.454 1.00 0.00 H new ATOM 0 HA GLU B 83 13.020 8.398 -20.733 1.00 0.00 H new ATOM 0 HB2 GLU B 83 11.932 7.527 -18.014 1.00 0.00 H new ATOM 0 HB3 GLU B 83 13.600 7.325 -18.514 1.00 0.00 H new ATOM 0 HG2 GLU B 83 13.888 9.754 -18.646 1.00 0.00 H new ATOM 0 HG3 GLU B 83 12.201 10.000 -18.242 1.00 0.00 H new ATOM 1342 N LEU B 84 11.207 5.785 -19.778 1.00 0.00 N ATOM 1343 CA LEU B 84 11.120 4.337 -19.850 1.00 0.00 C ATOM 1344 C LEU B 84 10.432 3.879 -21.131 1.00 0.00 C ATOM 1345 O LEU B 84 10.692 2.780 -21.611 1.00 0.00 O ATOM 1346 CB LEU B 84 10.421 3.785 -18.595 1.00 0.00 C ATOM 1347 CG LEU B 84 10.412 2.255 -18.444 1.00 0.00 C ATOM 1348 CD1 LEU B 84 11.679 1.644 -19.015 1.00 0.00 C ATOM 1349 CD2 LEU B 84 10.281 1.870 -16.975 1.00 0.00 C ATOM 0 H LEU B 84 10.520 6.221 -19.163 1.00 0.00 H new ATOM 0 HA LEU B 84 12.132 3.933 -19.880 1.00 0.00 H new ATOM 0 HB2 LEU B 84 10.904 4.214 -17.717 1.00 0.00 H new ATOM 0 HB3 LEU B 84 9.389 4.136 -18.595 1.00 0.00 H new ATOM 0 HG LEU B 84 9.557 1.869 -18.999 1.00 0.00 H new ATOM 0 HD11 LEU B 84 11.647 0.561 -18.895 1.00 0.00 H new ATOM 0 HD12 LEU B 84 11.756 1.890 -20.074 1.00 0.00 H new ATOM 0 HD13 LEU B 84 12.545 2.042 -18.486 1.00 0.00 H new ATOM 0 HD21 LEU B 84 10.276 0.784 -16.883 1.00 0.00 H new ATOM 0 HD22 LEU B 84 11.123 2.278 -16.416 1.00 0.00 H new ATOM 0 HD23 LEU B 84 9.350 2.273 -16.575 1.00 0.00 H new ATOM 1361 N GLN B 85 9.586 4.722 -21.706 1.00 0.00 N ATOM 1362 CA GLN B 85 8.934 4.380 -22.955 1.00 0.00 C ATOM 1363 C GLN B 85 9.975 4.181 -24.050 1.00 0.00 C ATOM 1364 O GLN B 85 9.935 3.199 -24.787 1.00 0.00 O ATOM 1365 CB GLN B 85 7.957 5.477 -23.348 1.00 0.00 C ATOM 1366 CG GLN B 85 7.146 5.167 -24.582 1.00 0.00 C ATOM 1367 CD GLN B 85 6.215 6.296 -24.915 1.00 0.00 C ATOM 1368 OE1 GLN B 85 5.076 6.346 -24.451 1.00 0.00 O ATOM 1369 NE2 GLN B 85 6.694 7.204 -25.728 1.00 0.00 N ATOM 0 H GLN B 85 9.339 5.637 -21.330 1.00 0.00 H new ATOM 0 HA GLN B 85 8.382 3.449 -22.825 1.00 0.00 H new ATOM 0 HB2 GLN B 85 7.277 5.658 -22.516 1.00 0.00 H new ATOM 0 HB3 GLN B 85 8.512 6.401 -23.513 1.00 0.00 H new ATOM 0 HG2 GLN B 85 7.814 4.983 -25.423 1.00 0.00 H new ATOM 0 HG3 GLN B 85 6.573 4.253 -24.424 1.00 0.00 H new ATOM 0 HE21 GLN B 85 7.645 7.117 -26.086 1.00 0.00 H new ATOM 0 HE22 GLN B 85 6.116 7.998 -26.004 1.00 0.00 H new ATOM 1378 N ARG B 86 10.932 5.098 -24.113 1.00 0.00 N ATOM 1379 CA ARG B 86 11.976 5.040 -25.127 1.00 0.00 C ATOM 1380 C ARG B 86 13.012 3.994 -24.763 1.00 0.00 C ATOM 1381 O ARG B 86 13.453 3.217 -25.608 1.00 0.00 O ATOM 1382 CB ARG B 86 12.672 6.391 -25.281 1.00 0.00 C ATOM 1383 CG ARG B 86 11.808 7.480 -25.884 1.00 0.00 C ATOM 1384 CD ARG B 86 12.652 8.704 -26.203 1.00 0.00 C ATOM 1385 NE ARG B 86 11.909 9.721 -26.939 1.00 0.00 N ATOM 1386 CZ ARG B 86 12.442 10.857 -27.381 1.00 0.00 C ATOM 1387 NH1 ARG B 86 13.730 11.116 -27.181 1.00 0.00 N ATOM 1388 NH2 ARG B 86 11.694 11.729 -28.039 1.00 0.00 N ATOM 0 H ARG B 86 11.007 5.890 -23.474 1.00 0.00 H new ATOM 0 HA ARG B 86 11.499 4.775 -26.071 1.00 0.00 H new ATOM 0 HB2 ARG B 86 13.018 6.721 -24.301 1.00 0.00 H new ATOM 0 HB3 ARG B 86 13.557 6.260 -25.904 1.00 0.00 H new ATOM 0 HG2 ARG B 86 11.329 7.113 -26.792 1.00 0.00 H new ATOM 0 HG3 ARG B 86 11.012 7.749 -25.190 1.00 0.00 H new ATOM 0 HD2 ARG B 86 13.027 9.134 -25.274 1.00 0.00 H new ATOM 0 HD3 ARG B 86 13.521 8.400 -26.787 1.00 0.00 H new ATOM 0 HE ARG B 86 10.921 9.551 -27.126 1.00 0.00 H new ATOM 0 HH11 ARG B 86 14.315 10.442 -26.687 1.00 0.00 H new ATOM 0 HH12 ARG B 86 14.134 11.988 -27.522 1.00 0.00 H new ATOM 0 HH21 ARG B 86 10.708 11.530 -28.208 1.00 0.00 H new ATOM 0 HH22 ARG B 86 12.104 12.600 -28.377 1.00 0.00 H new ATOM 1402 N LEU B 87 13.397 3.989 -23.494 1.00 0.00 N ATOM 1403 CA LEU B 87 14.425 3.086 -23.005 1.00 0.00 C ATOM 1404 C LEU B 87 14.010 1.639 -23.245 1.00 0.00 C ATOM 1405 O LEU B 87 14.817 0.807 -23.659 1.00 0.00 O ATOM 1406 CB LEU B 87 14.660 3.322 -21.516 1.00 0.00 C ATOM 1407 CG LEU B 87 16.072 3.014 -21.024 1.00 0.00 C ATOM 1408 CD1 LEU B 87 17.041 4.094 -21.485 1.00 0.00 C ATOM 1409 CD2 LEU B 87 16.089 2.884 -19.514 1.00 0.00 C ATOM 0 H LEU B 87 13.008 4.606 -22.781 1.00 0.00 H new ATOM 0 HA LEU B 87 15.351 3.280 -23.546 1.00 0.00 H new ATOM 0 HB2 LEU B 87 14.433 4.364 -21.289 1.00 0.00 H new ATOM 0 HB3 LEU B 87 13.955 2.712 -20.952 1.00 0.00 H new ATOM 0 HG LEU B 87 16.391 2.063 -21.451 1.00 0.00 H new ATOM 0 HD11 LEU B 87 18.044 3.860 -21.126 1.00 0.00 H new ATOM 0 HD12 LEU B 87 17.046 4.137 -22.574 1.00 0.00 H new ATOM 0 HD13 LEU B 87 16.728 5.058 -21.085 1.00 0.00 H new ATOM 0 HD21 LEU B 87 17.103 2.664 -19.179 1.00 0.00 H new ATOM 0 HD22 LEU B 87 15.753 3.818 -19.065 1.00 0.00 H new ATOM 0 HD23 LEU B 87 15.424 2.076 -19.211 1.00 0.00 H new ATOM 1421 N PHE B 88 12.737 1.357 -22.992 1.00 0.00 N ATOM 1422 CA PHE B 88 12.172 0.045 -23.251 1.00 0.00 C ATOM 1423 C PHE B 88 12.354 -0.343 -24.713 1.00 0.00 C ATOM 1424 O PHE B 88 12.842 -1.429 -25.009 1.00 0.00 O ATOM 1425 CB PHE B 88 10.687 0.030 -22.863 1.00 0.00 C ATOM 1426 CG PHE B 88 9.844 -0.919 -23.661 1.00 0.00 C ATOM 1427 CD1 PHE B 88 8.926 -0.430 -24.573 1.00 0.00 C ATOM 1428 CD2 PHE B 88 9.968 -2.290 -23.505 1.00 0.00 C ATOM 1429 CE1 PHE B 88 8.148 -1.287 -25.318 1.00 0.00 C ATOM 1430 CE2 PHE B 88 9.189 -3.153 -24.247 1.00 0.00 C ATOM 1431 CZ PHE B 88 8.278 -2.648 -25.155 1.00 0.00 C ATOM 0 H PHE B 88 12.074 2.029 -22.604 1.00 0.00 H new ATOM 0 HA PHE B 88 12.700 -0.690 -22.643 1.00 0.00 H new ATOM 0 HB2 PHE B 88 10.603 -0.229 -21.808 1.00 0.00 H new ATOM 0 HB3 PHE B 88 10.285 1.037 -22.977 1.00 0.00 H new ATOM 0 HD1 PHE B 88 8.818 0.637 -24.702 1.00 0.00 H new ATOM 0 HD2 PHE B 88 10.680 -2.686 -22.797 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.437 -0.893 -26.029 1.00 0.00 H new ATOM 0 HE2 PHE B 88 9.291 -4.221 -24.119 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.667 -3.322 -25.738 1.00 0.00 H new ATOM 1441 N GLU B 89 11.979 0.556 -25.615 1.00 0.00 N ATOM 1442 CA GLU B 89 12.071 0.294 -27.048 1.00 0.00 C ATOM 1443 C GLU B 89 13.496 -0.033 -27.456 1.00 0.00 C ATOM 1444 O GLU B 89 13.735 -0.905 -28.292 1.00 0.00 O ATOM 1445 CB GLU B 89 11.608 1.514 -27.834 1.00 0.00 C ATOM 1446 CG GLU B 89 10.192 1.942 -27.514 1.00 0.00 C ATOM 1447 CD GLU B 89 9.741 3.127 -28.340 1.00 0.00 C ATOM 1448 OE1 GLU B 89 10.372 4.203 -28.254 1.00 0.00 O ATOM 1449 OE2 GLU B 89 8.749 2.990 -29.087 1.00 0.00 O ATOM 0 H GLU B 89 11.607 1.476 -25.379 1.00 0.00 H new ATOM 0 HA GLU B 89 11.432 -0.561 -27.268 1.00 0.00 H new ATOM 0 HB2 GLU B 89 12.284 2.344 -27.630 1.00 0.00 H new ATOM 0 HB3 GLU B 89 11.681 1.298 -28.900 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.516 1.105 -27.687 1.00 0.00 H new ATOM 0 HG3 GLU B 89 10.123 2.194 -26.456 1.00 0.00 H new ATOM 1456 N GLU B 90 14.437 0.662 -26.841 1.00 0.00 N ATOM 1457 CA GLU B 90 15.828 0.580 -27.237 1.00 0.00 C ATOM 1458 C GLU B 90 16.483 -0.717 -26.766 1.00 0.00 C ATOM 1459 O GLU B 90 17.246 -1.338 -27.507 1.00 0.00 O ATOM 1460 CB GLU B 90 16.573 1.793 -26.697 1.00 0.00 C ATOM 1461 CG GLU B 90 16.325 3.060 -27.499 1.00 0.00 C ATOM 1462 CD GLU B 90 17.060 4.264 -26.945 1.00 0.00 C ATOM 1463 OE1 GLU B 90 16.406 5.141 -26.342 1.00 0.00 O ATOM 1464 OE2 GLU B 90 18.294 4.353 -27.125 1.00 0.00 O ATOM 0 H GLU B 90 14.259 1.293 -26.060 1.00 0.00 H new ATOM 0 HA GLU B 90 15.877 0.575 -28.326 1.00 0.00 H new ATOM 0 HB2 GLU B 90 16.275 1.962 -25.662 1.00 0.00 H new ATOM 0 HB3 GLU B 90 17.642 1.580 -26.690 1.00 0.00 H new ATOM 0 HG2 GLU B 90 16.633 2.896 -28.532 1.00 0.00 H new ATOM 0 HG3 GLU B 90 15.256 3.270 -27.515 1.00 0.00 H new ATOM 1471 N PHE B 91 16.162 -1.146 -25.553 1.00 0.00 N ATOM 1472 CA PHE B 91 16.832 -2.301 -24.963 1.00 0.00 C ATOM 1473 C PHE B 91 16.093 -3.615 -25.227 1.00 0.00 C ATOM 1474 O PHE B 91 16.418 -4.638 -24.622 1.00 0.00 O ATOM 1475 CB PHE B 91 17.035 -2.098 -23.460 1.00 0.00 C ATOM 1476 CG PHE B 91 18.082 -1.067 -23.135 1.00 0.00 C ATOM 1477 CD1 PHE B 91 17.735 0.259 -22.934 1.00 0.00 C ATOM 1478 CD2 PHE B 91 19.417 -1.426 -23.032 1.00 0.00 C ATOM 1479 CE1 PHE B 91 18.698 1.203 -22.638 1.00 0.00 C ATOM 1480 CE2 PHE B 91 20.384 -0.485 -22.735 1.00 0.00 C ATOM 1481 CZ PHE B 91 20.023 0.832 -22.537 1.00 0.00 C ATOM 0 H PHE B 91 15.449 -0.718 -24.962 1.00 0.00 H new ATOM 0 HA PHE B 91 17.804 -2.379 -25.450 1.00 0.00 H new ATOM 0 HB2 PHE B 91 16.088 -1.799 -23.010 1.00 0.00 H new ATOM 0 HB3 PHE B 91 17.318 -3.048 -23.007 1.00 0.00 H new ATOM 0 HD1 PHE B 91 16.700 0.558 -23.010 1.00 0.00 H new ATOM 0 HD2 PHE B 91 19.705 -2.455 -23.186 1.00 0.00 H new ATOM 0 HE1 PHE B 91 18.414 2.234 -22.485 1.00 0.00 H new ATOM 0 HE2 PHE B 91 21.420 -0.780 -22.658 1.00 0.00 H new ATOM 0 HZ PHE B 91 20.776 1.570 -22.304 1.00 0.00 H new ATOM 1491 N ARG B 92 15.130 -3.606 -26.148 1.00 0.00 N ATOM 1492 CA ARG B 92 14.459 -4.851 -26.551 1.00 0.00 C ATOM 1493 C ARG B 92 15.437 -5.730 -27.312 1.00 0.00 C ATOM 1494 O ARG B 92 15.212 -6.922 -27.511 1.00 0.00 O ATOM 1495 CB ARG B 92 13.245 -4.581 -27.444 1.00 0.00 C ATOM 1496 CG ARG B 92 12.276 -3.571 -26.876 1.00 0.00 C ATOM 1497 CD ARG B 92 10.955 -3.580 -27.625 1.00 0.00 C ATOM 1498 NE ARG B 92 11.110 -3.280 -29.051 1.00 0.00 N ATOM 1499 CZ ARG B 92 10.397 -2.359 -29.708 1.00 0.00 C ATOM 1500 NH1 ARG B 92 9.507 -1.610 -29.063 1.00 0.00 N ATOM 1501 NH2 ARG B 92 10.576 -2.188 -31.012 1.00 0.00 N ATOM 0 H ARG B 92 14.798 -2.768 -26.625 1.00 0.00 H new ATOM 0 HA ARG B 92 14.115 -5.348 -25.644 1.00 0.00 H new ATOM 0 HB2 ARG B 92 13.593 -4.229 -28.415 1.00 0.00 H new ATOM 0 HB3 ARG B 92 12.717 -5.519 -27.615 1.00 0.00 H new ATOM 0 HG2 ARG B 92 12.099 -3.788 -25.823 1.00 0.00 H new ATOM 0 HG3 ARG B 92 12.717 -2.575 -26.926 1.00 0.00 H new ATOM 0 HD2 ARG B 92 10.485 -4.557 -27.513 1.00 0.00 H new ATOM 0 HD3 ARG B 92 10.282 -2.849 -27.175 1.00 0.00 H new ATOM 0 HE ARG B 92 11.807 -3.808 -29.576 1.00 0.00 H new ATOM 0 HH11 ARG B 92 9.365 -1.736 -28.061 1.00 0.00 H new ATOM 0 HH12 ARG B 92 8.967 -0.909 -29.571 1.00 0.00 H new ATOM 0 HH21 ARG B 92 11.257 -2.759 -31.512 1.00 0.00 H new ATOM 0 HH22 ARG B 92 10.032 -1.486 -31.514 1.00 0.00 H new ATOM 1515 N ASP B 93 16.519 -5.106 -27.742 1.00 0.00 N ATOM 1516 CA ASP B 93 17.571 -5.773 -28.490 1.00 0.00 C ATOM 1517 C ASP B 93 18.352 -6.744 -27.606 1.00 0.00 C ATOM 1518 O ASP B 93 19.034 -7.642 -28.102 1.00 0.00 O ATOM 1519 CB ASP B 93 18.506 -4.720 -29.086 1.00 0.00 C ATOM 1520 CG ASP B 93 19.607 -5.318 -29.940 1.00 0.00 C ATOM 1521 OD1 ASP B 93 19.294 -6.044 -30.907 1.00 0.00 O ATOM 1522 OD2 ASP B 93 20.793 -5.040 -29.662 1.00 0.00 O ATOM 0 H ASP B 93 16.694 -4.114 -27.581 1.00 0.00 H new ATOM 0 HA ASP B 93 17.117 -6.356 -29.291 1.00 0.00 H new ATOM 0 HB2 ASP B 93 17.923 -4.025 -29.690 1.00 0.00 H new ATOM 0 HB3 ASP B 93 18.954 -4.142 -28.278 1.00 0.00 H new ATOM 1527 N SER B 94 18.231 -6.585 -26.294 1.00 0.00 N ATOM 1528 CA SER B 94 18.935 -7.456 -25.363 1.00 0.00 C ATOM 1529 C SER B 94 17.976 -8.474 -24.748 1.00 0.00 C ATOM 1530 O SER B 94 16.768 -8.240 -24.702 1.00 0.00 O ATOM 1531 CB SER B 94 19.628 -6.630 -24.275 1.00 0.00 C ATOM 1532 OG SER B 94 18.717 -5.773 -23.605 1.00 0.00 O ATOM 0 H SER B 94 17.656 -5.867 -25.854 1.00 0.00 H new ATOM 0 HA SER B 94 19.700 -8.003 -25.913 1.00 0.00 H new ATOM 0 HB2 SER B 94 20.096 -7.299 -23.553 1.00 0.00 H new ATOM 0 HB3 SER B 94 20.425 -6.036 -24.722 1.00 0.00 H new ATOM 0 HG SER B 94 17.944 -5.601 -24.183 1.00 0.00 H new ATOM 1538 N ASP B 95 18.526 -9.591 -24.272 1.00 0.00 N ATOM 1539 CA ASP B 95 17.718 -10.729 -23.824 1.00 0.00 C ATOM 1540 C ASP B 95 16.798 -10.362 -22.658 1.00 0.00 C ATOM 1541 O ASP B 95 15.715 -10.930 -22.515 1.00 0.00 O ATOM 1542 CB ASP B 95 18.606 -11.918 -23.441 1.00 0.00 C ATOM 1543 CG ASP B 95 19.305 -11.734 -22.111 1.00 0.00 C ATOM 1544 OD1 ASP B 95 20.274 -10.952 -22.048 1.00 0.00 O ATOM 1545 OD2 ASP B 95 18.893 -12.385 -21.130 1.00 0.00 O ATOM 0 H ASP B 95 19.532 -9.734 -24.186 1.00 0.00 H new ATOM 0 HA ASP B 95 17.087 -11.015 -24.666 1.00 0.00 H new ATOM 0 HB2 ASP B 95 17.997 -12.821 -23.402 1.00 0.00 H new ATOM 0 HB3 ASP B 95 19.354 -12.071 -24.219 1.00 0.00 H new ATOM 1550 N ASP B 96 17.227 -9.424 -21.824 1.00 0.00 N ATOM 1551 CA ASP B 96 16.399 -8.953 -20.719 1.00 0.00 C ATOM 1552 C ASP B 96 16.352 -7.433 -20.717 1.00 0.00 C ATOM 1553 O ASP B 96 17.289 -6.767 -20.268 1.00 0.00 O ATOM 1554 CB ASP B 96 16.917 -9.481 -19.376 1.00 0.00 C ATOM 1555 CG ASP B 96 16.086 -9.006 -18.192 1.00 0.00 C ATOM 1556 OD1 ASP B 96 16.660 -8.801 -17.104 1.00 0.00 O ATOM 1557 OD2 ASP B 96 14.857 -8.832 -18.342 1.00 0.00 O ATOM 0 H ASP B 96 18.140 -8.975 -21.890 1.00 0.00 H new ATOM 0 HA ASP B 96 15.388 -9.337 -20.858 1.00 0.00 H new ATOM 0 HB2 ASP B 96 16.921 -10.571 -19.397 1.00 0.00 H new ATOM 0 HB3 ASP B 96 17.950 -9.161 -19.240 1.00 0.00 H new ATOM 1562 N VAL B 97 15.260 -6.893 -21.242 1.00 0.00 N ATOM 1563 CA VAL B 97 15.118 -5.453 -21.399 1.00 0.00 C ATOM 1564 C VAL B 97 15.063 -4.746 -20.044 1.00 0.00 C ATOM 1565 O VAL B 97 15.764 -3.760 -19.836 1.00 0.00 O ATOM 1566 CB VAL B 97 13.874 -5.082 -22.260 1.00 0.00 C ATOM 1567 CG1 VAL B 97 12.582 -5.574 -21.630 1.00 0.00 C ATOM 1568 CG2 VAL B 97 13.798 -3.580 -22.508 1.00 0.00 C ATOM 0 H VAL B 97 14.458 -7.433 -21.567 1.00 0.00 H new ATOM 0 HA VAL B 97 16.004 -5.106 -21.930 1.00 0.00 H new ATOM 0 HB VAL B 97 13.995 -5.586 -23.219 1.00 0.00 H new ATOM 0 HG11 VAL B 97 11.739 -5.294 -22.262 1.00 0.00 H new ATOM 0 HG12 VAL B 97 12.616 -6.659 -21.530 1.00 0.00 H new ATOM 0 HG13 VAL B 97 12.462 -5.122 -20.645 1.00 0.00 H new ATOM 0 HG21 VAL B 97 12.919 -3.355 -23.112 1.00 0.00 H new ATOM 0 HG22 VAL B 97 13.727 -3.057 -21.554 1.00 0.00 H new ATOM 0 HG23 VAL B 97 14.694 -3.253 -23.036 1.00 0.00 H new ATOM 1578 N LEU B 98 14.281 -5.283 -19.105 1.00 0.00 N ATOM 1579 CA LEU B 98 14.053 -4.608 -17.829 1.00 0.00 C ATOM 1580 C LEU B 98 15.313 -4.601 -16.976 1.00 0.00 C ATOM 1581 O LEU B 98 15.526 -3.682 -16.185 1.00 0.00 O ATOM 1582 CB LEU B 98 12.911 -5.251 -17.042 1.00 0.00 C ATOM 1583 CG LEU B 98 11.560 -5.321 -17.756 1.00 0.00 C ATOM 1584 CD1 LEU B 98 11.403 -6.651 -18.464 1.00 0.00 C ATOM 1585 CD2 LEU B 98 10.420 -5.106 -16.776 1.00 0.00 C ATOM 0 H LEU B 98 13.799 -6.176 -19.204 1.00 0.00 H new ATOM 0 HA LEU B 98 13.776 -3.581 -18.066 1.00 0.00 H new ATOM 0 HB2 LEU B 98 13.209 -6.264 -16.770 1.00 0.00 H new ATOM 0 HB3 LEU B 98 12.780 -4.697 -16.112 1.00 0.00 H new ATOM 0 HG LEU B 98 11.527 -4.525 -18.499 1.00 0.00 H new ATOM 0 HD11 LEU B 98 10.436 -6.684 -18.967 1.00 0.00 H new ATOM 0 HD12 LEU B 98 12.199 -6.768 -19.200 1.00 0.00 H new ATOM 0 HD13 LEU B 98 11.461 -7.460 -17.736 1.00 0.00 H new ATOM 0 HD21 LEU B 98 9.469 -5.160 -17.306 1.00 0.00 H new ATOM 0 HD22 LEU B 98 10.451 -5.878 -16.007 1.00 0.00 H new ATOM 0 HD23 LEU B 98 10.520 -4.126 -16.310 1.00 0.00 H new ATOM 1597 N GLY B 99 16.141 -5.622 -17.137 1.00 0.00 N ATOM 1598 CA GLY B 99 17.408 -5.656 -16.439 1.00 0.00 C ATOM 1599 C GLY B 99 18.284 -4.495 -16.845 1.00 0.00 C ATOM 1600 O GLY B 99 18.891 -3.830 -16.007 1.00 0.00 O ATOM 0 H GLY B 99 15.958 -6.426 -17.737 1.00 0.00 H new ATOM 0 HA2 GLY B 99 17.235 -5.626 -15.363 1.00 0.00 H new ATOM 0 HA3 GLY B 99 17.920 -6.594 -16.654 1.00 0.00 H new ATOM 1604 N HIS B 100 18.313 -4.227 -18.143 1.00 0.00 N ATOM 1605 CA HIS B 100 19.091 -3.122 -18.674 1.00 0.00 C ATOM 1606 C HIS B 100 18.416 -1.801 -18.337 1.00 0.00 C ATOM 1607 O HIS B 100 19.073 -0.767 -18.223 1.00 0.00 O ATOM 1608 CB HIS B 100 19.271 -3.264 -20.190 1.00 0.00 C ATOM 1609 CG HIS B 100 20.167 -4.401 -20.588 1.00 0.00 C ATOM 1610 ND1 HIS B 100 21.156 -4.287 -21.543 1.00 0.00 N ATOM 1611 CD2 HIS B 100 20.213 -5.685 -20.159 1.00 0.00 C ATOM 1612 CE1 HIS B 100 21.769 -5.449 -21.677 1.00 0.00 C ATOM 1613 NE2 HIS B 100 21.216 -6.309 -20.850 1.00 0.00 N ATOM 0 H HIS B 100 17.805 -4.762 -18.847 1.00 0.00 H new ATOM 0 HA HIS B 100 20.079 -3.139 -18.214 1.00 0.00 H new ATOM 0 HB2 HIS B 100 18.294 -3.405 -20.651 1.00 0.00 H new ATOM 0 HB3 HIS B 100 19.680 -2.335 -20.587 1.00 0.00 H new ATOM 0 HD2 HIS B 100 19.576 -6.133 -19.411 1.00 0.00 H new ATOM 0 HE1 HIS B 100 22.586 -5.658 -22.352 1.00 0.00 H new ATOM 0 HE2 HIS B 100 21.491 -7.285 -20.741 1.00 0.00 H new ATOM 1622 N ILE B 101 17.096 -1.849 -18.168 1.00 0.00 N ATOM 1623 CA ILE B 101 16.331 -0.684 -17.749 1.00 0.00 C ATOM 1624 C ILE B 101 16.826 -0.175 -16.407 1.00 0.00 C ATOM 1625 O ILE B 101 17.325 0.944 -16.310 1.00 0.00 O ATOM 1626 CB ILE B 101 14.821 -0.991 -17.630 1.00 0.00 C ATOM 1627 CG1 ILE B 101 14.228 -1.382 -18.987 1.00 0.00 C ATOM 1628 CG2 ILE B 101 14.075 0.198 -17.038 1.00 0.00 C ATOM 1629 CD1 ILE B 101 14.455 -0.365 -20.081 1.00 0.00 C ATOM 0 H ILE B 101 16.535 -2.688 -18.316 1.00 0.00 H new ATOM 0 HA ILE B 101 16.474 0.075 -18.518 1.00 0.00 H new ATOM 0 HB ILE B 101 14.704 -1.840 -16.956 1.00 0.00 H new ATOM 0 HG12 ILE B 101 14.658 -2.334 -19.297 1.00 0.00 H new ATOM 0 HG13 ILE B 101 13.156 -1.539 -18.870 1.00 0.00 H new ATOM 0 HG21 ILE B 101 13.014 -0.039 -16.963 1.00 0.00 H new ATOM 0 HG22 ILE B 101 14.469 0.417 -16.046 1.00 0.00 H new ATOM 0 HG23 ILE B 101 14.208 1.068 -17.681 1.00 0.00 H new ATOM 0 HD11 ILE B 101 14.004 -0.720 -21.007 1.00 0.00 H new ATOM 0 HD12 ILE B 101 14.000 0.584 -19.796 1.00 0.00 H new ATOM 0 HD13 ILE B 101 15.525 -0.224 -20.230 1.00 0.00 H new ATOM 1641 N MET B 102 16.710 -1.017 -15.382 1.00 0.00 N ATOM 1642 CA MET B 102 17.034 -0.621 -14.013 1.00 0.00 C ATOM 1643 C MET B 102 18.461 -0.107 -13.907 1.00 0.00 C ATOM 1644 O MET B 102 18.734 0.842 -13.173 1.00 0.00 O ATOM 1645 CB MET B 102 16.850 -1.792 -13.050 1.00 0.00 C ATOM 1646 CG MET B 102 15.454 -2.383 -13.049 1.00 0.00 C ATOM 1647 SD MET B 102 15.286 -3.715 -11.848 1.00 0.00 S ATOM 1648 CE MET B 102 13.548 -4.083 -12.024 1.00 0.00 C ATOM 0 H MET B 102 16.393 -1.982 -15.475 1.00 0.00 H new ATOM 0 HA MET B 102 16.349 0.182 -13.741 1.00 0.00 H new ATOM 0 HB2 MET B 102 17.564 -2.575 -13.307 1.00 0.00 H new ATOM 0 HB3 MET B 102 17.092 -1.459 -12.041 1.00 0.00 H new ATOM 0 HG2 MET B 102 14.729 -1.600 -12.826 1.00 0.00 H new ATOM 0 HG3 MET B 102 15.219 -2.760 -14.044 1.00 0.00 H new ATOM 0 HE1 MET B 102 13.011 -3.731 -11.143 1.00 0.00 H new ATOM 0 HE2 MET B 102 13.158 -3.583 -12.911 1.00 0.00 H new ATOM 0 HE3 MET B 102 13.413 -5.160 -12.125 1.00 0.00 H new ATOM 1658 N LYS B 103 19.365 -0.727 -14.651 1.00 0.00 N ATOM 1659 CA LYS B 103 20.772 -0.361 -14.603 1.00 0.00 C ATOM 1660 C LYS B 103 21.019 0.977 -15.297 1.00 0.00 C ATOM 1661 O LYS B 103 21.844 1.774 -14.849 1.00 0.00 O ATOM 1662 CB LYS B 103 21.624 -1.445 -15.264 1.00 0.00 C ATOM 1663 CG LYS B 103 21.436 -2.832 -14.666 1.00 0.00 C ATOM 1664 CD LYS B 103 21.795 -2.878 -13.189 1.00 0.00 C ATOM 1665 CE LYS B 103 21.657 -4.286 -12.634 1.00 0.00 C ATOM 1666 NZ LYS B 103 22.002 -4.352 -11.192 1.00 0.00 N ATOM 0 H LYS B 103 19.148 -1.487 -15.296 1.00 0.00 H new ATOM 0 HA LYS B 103 21.055 -0.265 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS B 103 21.384 -1.483 -16.327 1.00 0.00 H new ATOM 0 HB3 LYS B 103 22.675 -1.166 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS B 103 20.399 -3.143 -14.795 1.00 0.00 H new ATOM 0 HG3 LYS B 103 22.054 -3.546 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS B 103 22.818 -2.528 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS B 103 21.147 -2.200 -12.633 1.00 0.00 H new ATOM 0 HE2 LYS B 103 20.634 -4.634 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS B 103 22.305 -4.961 -13.193 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 21.895 -5.330 -10.854 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 22.986 -4.045 -11.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 21.367 -3.728 -10.654 1.00 0.00 H new ATOM 1680 N ASN B 104 20.300 1.225 -16.382 1.00 0.00 N ATOM 1681 CA ASN B 104 20.542 2.413 -17.195 1.00 0.00 C ATOM 1682 C ASN B 104 19.725 3.610 -16.706 1.00 0.00 C ATOM 1683 O ASN B 104 20.126 4.757 -16.894 1.00 0.00 O ATOM 1684 CB ASN B 104 20.220 2.134 -18.666 1.00 0.00 C ATOM 1685 CG ASN B 104 20.788 3.187 -19.601 1.00 0.00 C ATOM 1686 OD1 ASN B 104 20.016 4.225 -19.872 1.00 0.00 O flip ATOM 1687 ND2 ASN B 104 21.914 3.062 -20.080 1.00 0.00 N flip ATOM 0 H ASN B 104 19.548 0.625 -16.720 1.00 0.00 H new ATOM 0 HA ASN B 104 21.599 2.661 -17.098 1.00 0.00 H new ATOM 0 HB2 ASN B 104 20.617 1.157 -18.942 1.00 0.00 H new ATOM 0 HB3 ASN B 104 19.139 2.086 -18.794 1.00 0.00 H new ATOM 0 HD21 ASN B 104 22.480 2.246 -19.847 1.00 0.00 H new ATOM 0 HD22 ASN B 104 22.282 3.774 -20.711 1.00 0.00 H new ATOM 1694 N ILE B 105 18.582 3.352 -16.084 1.00 0.00 N ATOM 1695 CA ILE B 105 17.710 4.437 -15.646 1.00 0.00 C ATOM 1696 C ILE B 105 18.024 4.857 -14.214 1.00 0.00 C ATOM 1697 O ILE B 105 18.587 4.094 -13.425 1.00 0.00 O ATOM 1698 CB ILE B 105 16.209 4.069 -15.773 1.00 0.00 C ATOM 1699 CG1 ILE B 105 15.314 5.305 -15.633 1.00 0.00 C ATOM 1700 CG2 ILE B 105 15.814 3.020 -14.745 1.00 0.00 C ATOM 1701 CD1 ILE B 105 15.505 6.325 -16.736 1.00 0.00 C ATOM 0 H ILE B 105 18.239 2.415 -15.873 1.00 0.00 H new ATOM 0 HA ILE B 105 17.906 5.279 -16.310 1.00 0.00 H new ATOM 0 HB ILE B 105 16.063 3.653 -16.770 1.00 0.00 H new ATOM 0 HG12 ILE B 105 14.271 4.988 -15.621 1.00 0.00 H new ATOM 0 HG13 ILE B 105 15.514 5.780 -14.673 1.00 0.00 H new ATOM 0 HG21 ILE B 105 14.756 2.781 -14.857 1.00 0.00 H new ATOM 0 HG22 ILE B 105 16.408 2.119 -14.898 1.00 0.00 H new ATOM 0 HG23 ILE B 105 15.994 3.407 -13.742 1.00 0.00 H new ATOM 0 HD11 ILE B 105 14.838 7.171 -16.569 1.00 0.00 H new ATOM 0 HD12 ILE B 105 16.538 6.672 -16.736 1.00 0.00 H new ATOM 0 HD13 ILE B 105 15.276 5.867 -17.698 1.00 0.00 H new ATOM 1713 N THR B 106 17.647 6.080 -13.897 1.00 0.00 N ATOM 1714 CA THR B 106 17.965 6.691 -12.626 1.00 0.00 C ATOM 1715 C THR B 106 17.118 6.120 -11.479 1.00 0.00 C ATOM 1716 O THR B 106 17.593 5.982 -10.350 1.00 0.00 O ATOM 1717 CB THR B 106 17.786 8.219 -12.744 1.00 0.00 C ATOM 1718 OG1 THR B 106 18.336 8.887 -11.607 1.00 0.00 O ATOM 1719 CG2 THR B 106 16.319 8.604 -12.907 1.00 0.00 C ATOM 0 H THR B 106 17.107 6.680 -14.520 1.00 0.00 H new ATOM 0 HA THR B 106 19.002 6.462 -12.382 1.00 0.00 H new ATOM 0 HB THR B 106 18.324 8.535 -13.638 1.00 0.00 H new ATOM 0 HG1 THR B 106 18.212 9.854 -11.704 1.00 0.00 H new ATOM 0 HG21 THR B 106 16.234 9.688 -12.987 1.00 0.00 H new ATOM 0 HG22 THR B 106 15.920 8.141 -13.809 1.00 0.00 H new ATOM 0 HG23 THR B 106 15.754 8.258 -12.041 1.00 0.00 H new ATOM 1727 N ALA B 107 15.878 5.749 -11.775 1.00 0.00 N ATOM 1728 CA ALA B 107 14.974 5.248 -10.751 1.00 0.00 C ATOM 1729 C ALA B 107 14.906 3.734 -10.777 1.00 0.00 C ATOM 1730 O ALA B 107 14.708 3.134 -11.834 1.00 0.00 O ATOM 1731 CB ALA B 107 13.582 5.826 -10.943 1.00 0.00 C ATOM 0 H ALA B 107 15.478 5.786 -12.713 1.00 0.00 H new ATOM 0 HA ALA B 107 15.362 5.561 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA B 107 12.918 5.441 -10.169 1.00 0.00 H new ATOM 0 HB2 ALA B 107 13.627 6.913 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA B 107 13.201 5.539 -11.923 1.00 0.00 H new ATOM 1737 N LYS B 108 15.077 3.112 -9.622 1.00 0.00 N ATOM 1738 CA LYS B 108 14.936 1.672 -9.519 1.00 0.00 C ATOM 1739 C LYS B 108 13.461 1.304 -9.461 1.00 0.00 C ATOM 1740 O LYS B 108 12.814 1.427 -8.421 1.00 0.00 O ATOM 1741 CB LYS B 108 15.667 1.140 -8.282 1.00 0.00 C ATOM 1742 CG LYS B 108 17.115 0.705 -8.521 1.00 0.00 C ATOM 1743 CD LYS B 108 18.035 1.847 -8.945 1.00 0.00 C ATOM 1744 CE LYS B 108 17.992 2.088 -10.448 1.00 0.00 C ATOM 1745 NZ LYS B 108 19.056 3.028 -10.895 1.00 0.00 N ATOM 0 H LYS B 108 15.313 3.581 -8.747 1.00 0.00 H new ATOM 0 HA LYS B 108 15.385 1.213 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS B 108 15.658 1.913 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS B 108 15.109 0.291 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS B 108 17.506 0.255 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS B 108 17.131 -0.068 -9.290 1.00 0.00 H new ATOM 0 HD2 LYS B 108 17.744 2.759 -8.423 1.00 0.00 H new ATOM 0 HD3 LYS B 108 19.058 1.619 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS B 108 18.105 1.138 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS B 108 17.016 2.489 -10.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 18.777 3.465 -11.796 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 19.189 3.769 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 19.947 2.508 -11.024 1.00 0.00 H new ATOM 1759 N ARG B 109 12.931 0.862 -10.587 1.00 0.00 N ATOM 1760 CA ARG B 109 11.526 0.517 -10.686 1.00 0.00 C ATOM 1761 C ARG B 109 11.382 -0.985 -10.835 1.00 0.00 C ATOM 1762 O ARG B 109 11.910 -1.567 -11.777 1.00 0.00 O ATOM 1763 CB ARG B 109 10.888 1.239 -11.878 1.00 0.00 C ATOM 1764 CG ARG B 109 11.117 2.743 -11.859 1.00 0.00 C ATOM 1765 CD ARG B 109 10.635 3.421 -13.133 1.00 0.00 C ATOM 1766 NE ARG B 109 10.998 4.847 -13.148 1.00 0.00 N ATOM 1767 CZ ARG B 109 11.504 5.498 -14.203 1.00 0.00 C ATOM 1768 NH1 ARG B 109 11.670 4.877 -15.364 1.00 0.00 N ATOM 1769 NH2 ARG B 109 11.837 6.781 -14.089 1.00 0.00 N ATOM 0 H ARG B 109 13.457 0.733 -11.451 1.00 0.00 H new ATOM 0 HA ARG B 109 11.012 0.833 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG B 109 11.293 0.828 -12.803 1.00 0.00 H new ATOM 0 HB3 ARG B 109 9.816 1.041 -11.883 1.00 0.00 H new ATOM 0 HG2 ARG B 109 10.599 3.175 -11.003 1.00 0.00 H new ATOM 0 HG3 ARG B 109 12.180 2.944 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG B 109 11.070 2.923 -14.000 1.00 0.00 H new ATOM 0 HD3 ARG B 109 9.553 3.318 -13.216 1.00 0.00 H new ATOM 0 HE ARG B 109 10.853 5.380 -12.290 1.00 0.00 H new ATOM 0 HH11 ARG B 109 11.411 3.895 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG B 109 12.056 5.382 -16.162 1.00 0.00 H new ATOM 0 HH21 ARG B 109 11.707 7.265 -13.201 1.00 0.00 H new ATOM 0 HH22 ARG B 109 12.223 7.281 -14.890 1.00 0.00 H new ATOM 1783 N SER B 110 10.669 -1.596 -9.901 1.00 0.00 N ATOM 1784 CA SER B 110 10.521 -3.046 -9.852 1.00 0.00 C ATOM 1785 C SER B 110 9.870 -3.586 -11.127 1.00 0.00 C ATOM 1786 O SER B 110 9.160 -2.859 -11.830 1.00 0.00 O ATOM 1787 CB SER B 110 9.681 -3.422 -8.634 1.00 0.00 C ATOM 1788 OG SER B 110 9.954 -2.548 -7.546 1.00 0.00 O ATOM 0 H SER B 110 10.177 -1.103 -9.156 1.00 0.00 H new ATOM 0 HA SER B 110 11.512 -3.494 -9.774 1.00 0.00 H new ATOM 0 HB2 SER B 110 8.622 -3.375 -8.888 1.00 0.00 H new ATOM 0 HB3 SER B 110 9.894 -4.451 -8.343 1.00 0.00 H new ATOM 0 HG SER B 110 9.531 -2.895 -6.733 1.00 0.00 H new ATOM 1794 N ARG B 111 10.104 -4.866 -11.402 1.00 0.00 N ATOM 1795 CA ARG B 111 9.598 -5.516 -12.610 1.00 0.00 C ATOM 1796 C ARG B 111 8.090 -5.346 -12.747 1.00 0.00 C ATOM 1797 O ARG B 111 7.594 -4.983 -13.811 1.00 0.00 O ATOM 1798 CB ARG B 111 9.944 -7.007 -12.598 1.00 0.00 C ATOM 1799 CG ARG B 111 11.435 -7.293 -12.685 1.00 0.00 C ATOM 1800 CD ARG B 111 11.992 -6.957 -14.058 1.00 0.00 C ATOM 1801 NE ARG B 111 13.448 -7.064 -14.098 1.00 0.00 N ATOM 1802 CZ ARG B 111 14.135 -7.716 -15.041 1.00 0.00 C ATOM 1803 NH1 ARG B 111 13.502 -8.328 -16.035 1.00 0.00 N ATOM 1804 NH2 ARG B 111 15.456 -7.769 -14.982 1.00 0.00 N ATOM 0 H ARG B 111 10.648 -5.481 -10.797 1.00 0.00 H new ATOM 0 HA ARG B 111 10.077 -5.037 -13.464 1.00 0.00 H new ATOM 0 HB2 ARG B 111 9.551 -7.454 -11.685 1.00 0.00 H new ATOM 0 HB3 ARG B 111 9.441 -7.494 -13.434 1.00 0.00 H new ATOM 0 HG2 ARG B 111 11.962 -6.713 -11.927 1.00 0.00 H new ATOM 0 HG3 ARG B 111 11.617 -8.345 -12.466 1.00 0.00 H new ATOM 0 HD2 ARG B 111 11.559 -7.628 -14.799 1.00 0.00 H new ATOM 0 HD3 ARG B 111 11.695 -5.945 -14.332 1.00 0.00 H new ATOM 0 HE ARG B 111 13.978 -6.609 -13.354 1.00 0.00 H new ATOM 0 HH11 ARG B 111 12.483 -8.303 -16.083 1.00 0.00 H new ATOM 0 HH12 ARG B 111 14.034 -8.823 -16.750 1.00 0.00 H new ATOM 0 HH21 ARG B 111 15.951 -7.312 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG B 111 15.979 -8.267 -15.702 1.00 0.00 H new ATOM 1818 N ALA B 112 7.373 -5.593 -11.658 1.00 0.00 N ATOM 1819 CA ALA B 112 5.918 -5.515 -11.662 1.00 0.00 C ATOM 1820 C ALA B 112 5.436 -4.098 -11.947 1.00 0.00 C ATOM 1821 O ALA B 112 4.326 -3.900 -12.424 1.00 0.00 O ATOM 1822 CB ALA B 112 5.357 -6.012 -10.338 1.00 0.00 C ATOM 0 H ALA B 112 7.777 -5.850 -10.758 1.00 0.00 H new ATOM 0 HA ALA B 112 5.552 -6.157 -12.463 1.00 0.00 H new ATOM 0 HB1 ALA B 112 4.269 -5.947 -10.357 1.00 0.00 H new ATOM 0 HB2 ALA B 112 5.656 -7.048 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA B 112 5.743 -5.397 -9.525 1.00 0.00 H new ATOM 1828 N ARG B 113 6.273 -3.108 -11.657 1.00 0.00 N ATOM 1829 CA ARG B 113 5.916 -1.721 -11.924 1.00 0.00 C ATOM 1830 C ARG B 113 6.044 -1.444 -13.411 1.00 0.00 C ATOM 1831 O ARG B 113 5.138 -0.903 -14.037 1.00 0.00 O ATOM 1832 CB ARG B 113 6.822 -0.754 -11.164 1.00 0.00 C ATOM 1833 CG ARG B 113 6.928 -1.031 -9.677 1.00 0.00 C ATOM 1834 CD ARG B 113 7.742 0.043 -8.981 1.00 0.00 C ATOM 1835 NE ARG B 113 8.172 -0.367 -7.645 1.00 0.00 N ATOM 1836 CZ ARG B 113 8.132 0.422 -6.566 1.00 0.00 C ATOM 1837 NH1 ARG B 113 7.695 1.673 -6.656 1.00 0.00 N ATOM 1838 NH2 ARG B 113 8.543 -0.040 -5.399 1.00 0.00 N ATOM 0 H ARG B 113 7.195 -3.239 -11.241 1.00 0.00 H new ATOM 0 HA ARG B 113 4.889 -1.569 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG B 113 7.820 -0.792 -11.600 1.00 0.00 H new ATOM 0 HB3 ARG B 113 6.450 0.261 -11.306 1.00 0.00 H new ATOM 0 HG2 ARG B 113 5.931 -1.077 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG B 113 7.391 -2.005 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG B 113 8.617 0.281 -9.585 1.00 0.00 H new ATOM 0 HD3 ARG B 113 7.149 0.954 -8.906 1.00 0.00 H new ATOM 0 HE ARG B 113 8.525 -1.317 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG B 113 7.385 2.042 -7.555 1.00 0.00 H new ATOM 0 HH12 ARG B 113 7.669 2.265 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG B 113 8.890 -0.996 -5.323 1.00 0.00 H new ATOM 0 HH22 ARG B 113 8.514 0.559 -4.574 1.00 0.00 H new ATOM 1852 N ILE B 114 7.192 -1.821 -13.957 1.00 0.00 N ATOM 1853 CA ILE B 114 7.488 -1.601 -15.360 1.00 0.00 C ATOM 1854 C ILE B 114 6.485 -2.307 -16.270 1.00 0.00 C ATOM 1855 O ILE B 114 5.854 -1.671 -17.116 1.00 0.00 O ATOM 1856 CB ILE B 114 8.907 -2.090 -15.707 1.00 0.00 C ATOM 1857 CG1 ILE B 114 9.927 -1.385 -14.816 1.00 0.00 C ATOM 1858 CG2 ILE B 114 9.214 -1.848 -17.181 1.00 0.00 C ATOM 1859 CD1 ILE B 114 11.359 -1.831 -15.046 1.00 0.00 C ATOM 0 H ILE B 114 7.939 -2.285 -13.440 1.00 0.00 H new ATOM 0 HA ILE B 114 7.418 -0.526 -15.529 1.00 0.00 H new ATOM 0 HB ILE B 114 8.966 -3.163 -15.526 1.00 0.00 H new ATOM 0 HG12 ILE B 114 9.860 -0.310 -14.985 1.00 0.00 H new ATOM 0 HG13 ILE B 114 9.666 -1.561 -13.772 1.00 0.00 H new ATOM 0 HG21 ILE B 114 10.221 -2.200 -17.406 1.00 0.00 H new ATOM 0 HG22 ILE B 114 8.495 -2.389 -17.796 1.00 0.00 H new ATOM 0 HG23 ILE B 114 9.146 -0.782 -17.396 1.00 0.00 H new ATOM 0 HD11 ILE B 114 12.022 -1.284 -14.376 1.00 0.00 H new ATOM 0 HD12 ILE B 114 11.443 -2.900 -14.848 1.00 0.00 H new ATOM 0 HD13 ILE B 114 11.641 -1.630 -16.079 1.00 0.00 H new ATOM 1871 N VAL B 115 6.327 -3.617 -16.082 1.00 0.00 N ATOM 1872 CA VAL B 115 5.489 -4.412 -16.975 1.00 0.00 C ATOM 1873 C VAL B 115 4.026 -3.979 -16.893 1.00 0.00 C ATOM 1874 O VAL B 115 3.333 -3.931 -17.908 1.00 0.00 O ATOM 1875 CB VAL B 115 5.612 -5.937 -16.708 1.00 0.00 C ATOM 1876 CG1 VAL B 115 7.061 -6.384 -16.804 1.00 0.00 C ATOM 1877 CG2 VAL B 115 5.032 -6.328 -15.357 1.00 0.00 C ATOM 0 H VAL B 115 6.764 -4.145 -15.327 1.00 0.00 H new ATOM 0 HA VAL B 115 5.856 -4.226 -17.984 1.00 0.00 H new ATOM 0 HB VAL B 115 5.031 -6.445 -17.478 1.00 0.00 H new ATOM 0 HG11 VAL B 115 7.125 -7.455 -16.614 1.00 0.00 H new ATOM 0 HG12 VAL B 115 7.443 -6.170 -17.802 1.00 0.00 H new ATOM 0 HG13 VAL B 115 7.657 -5.848 -16.065 1.00 0.00 H new ATOM 0 HG21 VAL B 115 5.139 -7.403 -15.212 1.00 0.00 H new ATOM 0 HG22 VAL B 115 5.565 -5.800 -14.566 1.00 0.00 H new ATOM 0 HG23 VAL B 115 3.976 -6.061 -15.324 1.00 0.00 H new ATOM 1887 N ASP B 116 3.569 -3.622 -15.699 1.00 0.00 N ATOM 1888 CA ASP B 116 2.192 -3.182 -15.519 1.00 0.00 C ATOM 1889 C ASP B 116 1.958 -1.848 -16.215 1.00 0.00 C ATOM 1890 O ASP B 116 0.869 -1.593 -16.740 1.00 0.00 O ATOM 1891 CB ASP B 116 1.852 -3.076 -14.031 1.00 0.00 C ATOM 1892 CG ASP B 116 0.440 -2.585 -13.772 1.00 0.00 C ATOM 1893 OD1 ASP B 116 0.255 -1.370 -13.570 1.00 0.00 O ATOM 1894 OD2 ASP B 116 -0.498 -3.417 -13.766 1.00 0.00 O ATOM 0 H ASP B 116 4.128 -3.628 -14.846 1.00 0.00 H new ATOM 0 HA ASP B 116 1.535 -3.925 -15.971 1.00 0.00 H new ATOM 0 HB2 ASP B 116 1.981 -4.053 -13.565 1.00 0.00 H new ATOM 0 HB3 ASP B 116 2.559 -2.399 -13.551 1.00 0.00 H new ATOM 1899 N LYS B 117 2.992 -1.008 -16.262 1.00 0.00 N ATOM 1900 CA LYS B 117 2.864 0.296 -16.891 1.00 0.00 C ATOM 1901 C LYS B 117 2.976 0.160 -18.406 1.00 0.00 C ATOM 1902 O LYS B 117 2.333 0.898 -19.150 1.00 0.00 O ATOM 1903 CB LYS B 117 3.925 1.262 -16.373 1.00 0.00 C ATOM 1904 CG LYS B 117 3.646 2.718 -16.723 1.00 0.00 C ATOM 1905 CD LYS B 117 2.548 3.312 -15.848 1.00 0.00 C ATOM 1906 CE LYS B 117 2.304 4.781 -16.176 1.00 0.00 C ATOM 1907 NZ LYS B 117 1.910 4.986 -17.594 1.00 0.00 N ATOM 0 H LYS B 117 3.915 -1.208 -15.876 1.00 0.00 H new ATOM 0 HA LYS B 117 1.884 0.700 -16.638 1.00 0.00 H new ATOM 0 HB2 LYS B 117 3.996 1.164 -15.290 1.00 0.00 H new ATOM 0 HB3 LYS B 117 4.894 0.978 -16.782 1.00 0.00 H new ATOM 0 HG2 LYS B 117 4.559 3.301 -16.605 1.00 0.00 H new ATOM 0 HG3 LYS B 117 3.354 2.790 -17.771 1.00 0.00 H new ATOM 0 HD2 LYS B 117 1.625 2.749 -15.988 1.00 0.00 H new ATOM 0 HD3 LYS B 117 2.825 3.214 -14.798 1.00 0.00 H new ATOM 0 HE2 LYS B 117 1.522 5.171 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS B 117 3.208 5.352 -15.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 1.854 6.005 -17.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 2.618 4.548 -18.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 0.982 4.549 -17.763 1.00 0.00 H new ATOM 1921 N LEU B 118 3.790 -0.788 -18.855 1.00 0.00 N ATOM 1922 CA LEU B 118 3.928 -1.071 -20.280 1.00 0.00 C ATOM 1923 C LEU B 118 2.592 -1.471 -20.881 1.00 0.00 C ATOM 1924 O LEU B 118 2.187 -0.960 -21.926 1.00 0.00 O ATOM 1925 CB LEU B 118 4.927 -2.197 -20.519 1.00 0.00 C ATOM 1926 CG LEU B 118 6.243 -1.783 -21.169 1.00 0.00 C ATOM 1927 CD1 LEU B 118 7.093 -0.962 -20.211 1.00 0.00 C ATOM 1928 CD2 LEU B 118 6.989 -3.015 -21.646 1.00 0.00 C ATOM 0 H LEU B 118 4.366 -1.375 -18.252 1.00 0.00 H new ATOM 0 HA LEU B 118 4.288 -0.160 -20.758 1.00 0.00 H new ATOM 0 HB2 LEU B 118 5.148 -2.671 -19.563 1.00 0.00 H new ATOM 0 HB3 LEU B 118 4.454 -2.951 -21.147 1.00 0.00 H new ATOM 0 HG LEU B 118 6.025 -1.151 -22.030 1.00 0.00 H new ATOM 0 HD11 LEU B 118 8.025 -0.681 -20.701 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.549 -0.063 -19.922 1.00 0.00 H new ATOM 0 HD13 LEU B 118 7.314 -1.554 -19.323 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.929 -2.715 -22.110 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.195 -3.667 -20.797 1.00 0.00 H new ATOM 0 HD23 LEU B 118 6.380 -3.550 -22.374 1.00 0.00 H new ATOM 1940 N LEU B 119 1.916 -2.393 -20.213 1.00 0.00 N ATOM 1941 CA LEU B 119 0.603 -2.854 -20.644 1.00 0.00 C ATOM 1942 C LEU B 119 -0.401 -1.716 -20.608 1.00 0.00 C ATOM 1943 O LEU B 119 -1.299 -1.636 -21.444 1.00 0.00 O ATOM 1944 CB LEU B 119 0.119 -3.999 -19.747 1.00 0.00 C ATOM 1945 CG LEU B 119 0.612 -5.407 -20.131 1.00 0.00 C ATOM 1946 CD1 LEU B 119 0.011 -5.834 -21.459 1.00 0.00 C ATOM 1947 CD2 LEU B 119 2.135 -5.473 -20.201 1.00 0.00 C ATOM 0 H LEU B 119 2.258 -2.841 -19.363 1.00 0.00 H new ATOM 0 HA LEU B 119 0.689 -3.216 -21.669 1.00 0.00 H new ATOM 0 HB2 LEU B 119 0.433 -3.791 -18.724 1.00 0.00 H new ATOM 0 HB3 LEU B 119 -0.971 -4.003 -19.751 1.00 0.00 H new ATOM 0 HG LEU B 119 0.284 -6.093 -19.350 1.00 0.00 H new ATOM 0 HD11 LEU B 119 0.369 -6.831 -21.717 1.00 0.00 H new ATOM 0 HD12 LEU B 119 -1.076 -5.848 -21.379 1.00 0.00 H new ATOM 0 HD13 LEU B 119 0.308 -5.130 -22.236 1.00 0.00 H new ATOM 0 HD21 LEU B 119 2.443 -6.482 -20.475 1.00 0.00 H new ATOM 0 HD22 LEU B 119 2.496 -4.768 -20.950 1.00 0.00 H new ATOM 0 HD23 LEU B 119 2.555 -5.216 -19.229 1.00 0.00 H new ATOM 1959 N ALA B 120 -0.210 -0.821 -19.651 1.00 0.00 N ATOM 1960 CA ALA B 120 -1.110 0.302 -19.453 1.00 0.00 C ATOM 1961 C ALA B 120 -0.879 1.380 -20.504 1.00 0.00 C ATOM 1962 O ALA B 120 -1.798 2.102 -20.883 1.00 0.00 O ATOM 1963 CB ALA B 120 -0.930 0.864 -18.054 1.00 0.00 C ATOM 0 H ALA B 120 0.569 -0.853 -18.994 1.00 0.00 H new ATOM 0 HA ALA B 120 -2.136 -0.049 -19.563 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -1.607 1.706 -17.910 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -1.153 0.090 -17.320 1.00 0.00 H new ATOM 0 HB3 ALA B 120 0.099 1.200 -17.927 1.00 0.00 H new ATOM 1969 N LEU B 121 0.358 1.487 -20.963 1.00 0.00 N ATOM 1970 CA LEU B 121 0.699 2.392 -22.052 1.00 0.00 C ATOM 1971 C LEU B 121 0.315 1.777 -23.386 1.00 0.00 C ATOM 1972 O LEU B 121 0.082 2.478 -24.370 1.00 0.00 O ATOM 1973 CB LEU B 121 2.199 2.686 -22.048 1.00 0.00 C ATOM 1974 CG LEU B 121 2.708 3.494 -20.859 1.00 0.00 C ATOM 1975 CD1 LEU B 121 4.224 3.570 -20.893 1.00 0.00 C ATOM 1976 CD2 LEU B 121 2.100 4.886 -20.868 1.00 0.00 C ATOM 0 H LEU B 121 1.148 0.955 -20.596 1.00 0.00 H new ATOM 0 HA LEU B 121 0.148 3.322 -21.909 1.00 0.00 H new ATOM 0 HB2 LEU B 121 2.737 1.739 -22.078 1.00 0.00 H new ATOM 0 HB3 LEU B 121 2.448 3.223 -22.963 1.00 0.00 H new ATOM 0 HG LEU B 121 2.406 2.996 -19.937 1.00 0.00 H new ATOM 0 HD11 LEU B 121 4.578 4.149 -20.040 1.00 0.00 H new ATOM 0 HD12 LEU B 121 4.640 2.564 -20.846 1.00 0.00 H new ATOM 0 HD13 LEU B 121 4.543 4.052 -21.817 1.00 0.00 H new ATOM 0 HD21 LEU B 121 2.472 5.451 -20.014 1.00 0.00 H new ATOM 0 HD22 LEU B 121 2.376 5.398 -21.790 1.00 0.00 H new ATOM 0 HD23 LEU B 121 1.014 4.809 -20.807 1.00 0.00 H new ATOM 1988 N GLY B 122 0.243 0.457 -23.405 1.00 0.00 N ATOM 1989 CA GLY B 122 -0.003 -0.252 -24.636 1.00 0.00 C ATOM 1990 C GLY B 122 1.257 -0.365 -25.461 1.00 0.00 C ATOM 1991 O GLY B 122 1.212 -0.311 -26.688 1.00 0.00 O ATOM 0 H GLY B 122 0.352 -0.137 -22.583 1.00 0.00 H new ATOM 0 HA2 GLY B 122 -0.387 -1.248 -24.415 1.00 0.00 H new ATOM 0 HA3 GLY B 122 -0.772 0.266 -25.210 1.00 0.00 H new ATOM 1995 N LEU B 123 2.386 -0.505 -24.777 1.00 0.00 N ATOM 1996 CA LEU B 123 3.671 -0.652 -25.441 1.00 0.00 C ATOM 1997 C LEU B 123 3.836 -2.082 -25.907 1.00 0.00 C ATOM 1998 O LEU B 123 4.548 -2.367 -26.870 1.00 0.00 O ATOM 1999 CB LEU B 123 4.806 -0.271 -24.489 1.00 0.00 C ATOM 2000 CG LEU B 123 4.927 1.225 -24.185 1.00 0.00 C ATOM 2001 CD1 LEU B 123 6.054 1.480 -23.198 1.00 0.00 C ATOM 2002 CD2 LEU B 123 5.159 2.014 -25.465 1.00 0.00 C ATOM 0 H LEU B 123 2.435 -0.520 -23.758 1.00 0.00 H new ATOM 0 HA LEU B 123 3.708 0.013 -26.304 1.00 0.00 H new ATOM 0 HB2 LEU B 123 4.666 -0.806 -23.550 1.00 0.00 H new ATOM 0 HB3 LEU B 123 5.748 -0.616 -24.915 1.00 0.00 H new ATOM 0 HG LEU B 123 3.991 1.559 -23.737 1.00 0.00 H new ATOM 0 HD11 LEU B 123 6.125 2.548 -22.994 1.00 0.00 H new ATOM 0 HD12 LEU B 123 5.852 0.946 -22.269 1.00 0.00 H new ATOM 0 HD13 LEU B 123 6.995 1.129 -23.621 1.00 0.00 H new ATOM 0 HD21 LEU B 123 5.242 3.075 -25.229 1.00 0.00 H new ATOM 0 HD22 LEU B 123 6.080 1.675 -25.940 1.00 0.00 H new ATOM 0 HD23 LEU B 123 4.321 1.859 -26.145 1.00 0.00 H new ATOM 2014 N VAL B 124 3.164 -2.969 -25.198 1.00 0.00 N ATOM 2015 CA VAL B 124 3.137 -4.380 -25.527 1.00 0.00 C ATOM 2016 C VAL B 124 1.744 -4.927 -25.301 1.00 0.00 C ATOM 2017 O VAL B 124 0.931 -4.320 -24.596 1.00 0.00 O ATOM 2018 CB VAL B 124 4.130 -5.195 -24.680 1.00 0.00 C ATOM 2019 CG1 VAL B 124 5.566 -4.799 -24.985 1.00 0.00 C ATOM 2020 CG2 VAL B 124 3.817 -5.024 -23.204 1.00 0.00 C ATOM 0 H VAL B 124 2.617 -2.728 -24.371 1.00 0.00 H new ATOM 0 HA VAL B 124 3.427 -4.473 -26.574 1.00 0.00 H new ATOM 0 HB VAL B 124 4.022 -6.248 -24.938 1.00 0.00 H new ATOM 0 HG11 VAL B 124 6.245 -5.391 -24.372 1.00 0.00 H new ATOM 0 HG12 VAL B 124 5.777 -4.980 -26.039 1.00 0.00 H new ATOM 0 HG13 VAL B 124 5.707 -3.741 -24.763 1.00 0.00 H new ATOM 0 HG21 VAL B 124 4.525 -5.604 -22.612 1.00 0.00 H new ATOM 0 HG22 VAL B 124 3.897 -3.971 -22.935 1.00 0.00 H new ATOM 0 HG23 VAL B 124 2.804 -5.374 -23.004 1.00 0.00 H new ATOM 2030 N ALA B 125 1.475 -6.074 -25.886 1.00 0.00 N ATOM 2031 CA ALA B 125 0.186 -6.721 -25.726 1.00 0.00 C ATOM 2032 C ALA B 125 0.250 -7.760 -24.622 1.00 0.00 C ATOM 2033 O ALA B 125 -0.769 -8.331 -24.227 1.00 0.00 O ATOM 2034 CB ALA B 125 -0.249 -7.363 -27.032 1.00 0.00 C ATOM 0 H ALA B 125 2.132 -6.581 -26.479 1.00 0.00 H new ATOM 0 HA ALA B 125 -0.549 -5.966 -25.449 1.00 0.00 H new ATOM 0 HB1 ALA B 125 -1.218 -7.844 -26.896 1.00 0.00 H new ATOM 0 HB2 ALA B 125 -0.329 -6.598 -27.804 1.00 0.00 H new ATOM 0 HB3 ALA B 125 0.487 -8.108 -27.334 1.00 0.00 H new ATOM 2040 N GLU B 126 1.461 -7.996 -24.127 1.00 0.00 N ATOM 2041 CA GLU B 126 1.710 -9.043 -23.146 1.00 0.00 C ATOM 2042 C GLU B 126 3.152 -8.997 -22.677 1.00 0.00 C ATOM 2043 O GLU B 126 3.951 -8.239 -23.211 1.00 0.00 O ATOM 2044 CB GLU B 126 1.424 -10.395 -23.766 1.00 0.00 C ATOM 2045 CG GLU B 126 2.166 -10.606 -25.066 1.00 0.00 C ATOM 2046 CD GLU B 126 1.563 -11.740 -25.859 1.00 0.00 C ATOM 2047 OE1 GLU B 126 1.772 -12.904 -25.474 1.00 0.00 O ATOM 2048 OE2 GLU B 126 0.842 -11.472 -26.842 1.00 0.00 O ATOM 0 H GLU B 126 2.293 -7.469 -24.394 1.00 0.00 H new ATOM 0 HA GLU B 126 1.056 -8.884 -22.289 1.00 0.00 H new ATOM 0 HB2 GLU B 126 1.701 -11.180 -23.062 1.00 0.00 H new ATOM 0 HB3 GLU B 126 0.353 -10.490 -23.944 1.00 0.00 H new ATOM 0 HG2 GLU B 126 2.138 -9.690 -25.657 1.00 0.00 H new ATOM 0 HG3 GLU B 126 3.214 -10.820 -24.859 1.00 0.00 H new ATOM 2055 N ARG B 127 3.487 -9.833 -21.702 1.00 0.00 N ATOM 2056 CA ARG B 127 4.817 -9.819 -21.113 1.00 0.00 C ATOM 2057 C ARG B 127 5.856 -10.523 -21.988 1.00 0.00 C ATOM 2058 O ARG B 127 7.033 -10.188 -21.927 1.00 0.00 O ATOM 2059 CB ARG B 127 4.797 -10.440 -19.716 1.00 0.00 C ATOM 2060 CG ARG B 127 3.995 -9.632 -18.707 1.00 0.00 C ATOM 2061 CD ARG B 127 4.099 -10.217 -17.313 1.00 0.00 C ATOM 2062 NE ARG B 127 3.680 -11.617 -17.261 1.00 0.00 N ATOM 2063 CZ ARG B 127 3.202 -12.211 -16.167 1.00 0.00 C ATOM 2064 NH1 ARG B 127 3.047 -11.522 -15.040 1.00 0.00 N ATOM 2065 NH2 ARG B 127 2.873 -13.495 -16.201 1.00 0.00 N ATOM 0 H ARG B 127 2.856 -10.528 -21.304 1.00 0.00 H new ATOM 0 HA ARG B 127 5.114 -8.773 -21.038 1.00 0.00 H new ATOM 0 HB2 ARG B 127 4.380 -11.445 -19.779 1.00 0.00 H new ATOM 0 HB3 ARG B 127 5.821 -10.542 -19.357 1.00 0.00 H new ATOM 0 HG2 ARG B 127 4.353 -8.603 -18.698 1.00 0.00 H new ATOM 0 HG3 ARG B 127 2.949 -9.603 -19.013 1.00 0.00 H new ATOM 0 HD2 ARG B 127 5.129 -10.136 -16.964 1.00 0.00 H new ATOM 0 HD3 ARG B 127 3.484 -9.631 -16.630 1.00 0.00 H new ATOM 0 HE ARG B 127 3.758 -12.173 -18.113 1.00 0.00 H new ATOM 0 HH11 ARG B 127 3.294 -10.533 -15.009 1.00 0.00 H new ATOM 0 HH12 ARG B 127 2.681 -11.983 -14.207 1.00 0.00 H new ATOM 0 HH21 ARG B 127 2.986 -14.028 -17.064 1.00 0.00 H new ATOM 0 HH22 ARG B 127 2.507 -13.950 -15.365 1.00 0.00 H new ATOM 2079 N ARG B 128 5.429 -11.477 -22.817 1.00 0.00 N ATOM 2080 CA ARG B 128 6.378 -12.255 -23.624 1.00 0.00 C ATOM 2081 C ARG B 128 7.158 -11.349 -24.578 1.00 0.00 C ATOM 2082 O ARG B 128 8.299 -11.646 -24.943 1.00 0.00 O ATOM 2083 CB ARG B 128 5.661 -13.350 -24.432 1.00 0.00 C ATOM 2084 CG ARG B 128 5.334 -12.950 -25.868 1.00 0.00 C ATOM 2085 CD ARG B 128 4.864 -14.129 -26.702 1.00 0.00 C ATOM 2086 NE ARG B 128 3.515 -14.550 -26.348 1.00 0.00 N ATOM 2087 CZ ARG B 128 3.037 -15.773 -26.528 1.00 0.00 C ATOM 2088 NH1 ARG B 128 3.819 -16.737 -26.998 1.00 0.00 N ATOM 2089 NH2 ARG B 128 1.773 -16.034 -26.225 1.00 0.00 N ATOM 0 H ARG B 128 4.449 -11.729 -22.948 1.00 0.00 H new ATOM 0 HA ARG B 128 7.074 -12.729 -22.931 1.00 0.00 H new ATOM 0 HB2 ARG B 128 6.286 -14.243 -24.448 1.00 0.00 H new ATOM 0 HB3 ARG B 128 4.736 -13.617 -23.921 1.00 0.00 H new ATOM 0 HG2 ARG B 128 4.561 -12.181 -25.862 1.00 0.00 H new ATOM 0 HG3 ARG B 128 6.218 -12.510 -26.330 1.00 0.00 H new ATOM 0 HD2 ARG B 128 4.894 -13.860 -27.758 1.00 0.00 H new ATOM 0 HD3 ARG B 128 5.551 -14.964 -26.567 1.00 0.00 H new ATOM 0 HE ARG B 128 2.895 -13.855 -25.933 1.00 0.00 H new ATOM 0 HH11 ARG B 128 4.794 -16.539 -27.223 1.00 0.00 H new ATOM 0 HH12 ARG B 128 3.445 -17.676 -27.134 1.00 0.00 H new ATOM 0 HH21 ARG B 128 1.174 -15.296 -25.856 1.00 0.00 H new ATOM 0 HH22 ARG B 128 1.399 -16.973 -26.361 1.00 0.00 H new ATOM 2103 N GLU B 129 6.531 -10.240 -24.958 1.00 0.00 N ATOM 2104 CA GLU B 129 7.093 -9.318 -25.938 1.00 0.00 C ATOM 2105 C GLU B 129 8.319 -8.602 -25.392 1.00 0.00 C ATOM 2106 O GLU B 129 9.202 -8.196 -26.145 1.00 0.00 O ATOM 2107 CB GLU B 129 6.034 -8.292 -26.337 1.00 0.00 C ATOM 2108 CG GLU B 129 4.786 -8.910 -26.946 1.00 0.00 C ATOM 2109 CD GLU B 129 5.071 -9.666 -28.227 1.00 0.00 C ATOM 2110 OE1 GLU B 129 5.020 -9.049 -29.305 1.00 0.00 O ATOM 2111 OE2 GLU B 129 5.335 -10.884 -28.157 1.00 0.00 O ATOM 0 H GLU B 129 5.621 -9.956 -24.596 1.00 0.00 H new ATOM 0 HA GLU B 129 7.402 -9.895 -26.809 1.00 0.00 H new ATOM 0 HB2 GLU B 129 5.751 -7.714 -25.457 1.00 0.00 H new ATOM 0 HB3 GLU B 129 6.469 -7.593 -27.051 1.00 0.00 H new ATOM 0 HG2 GLU B 129 4.332 -9.587 -26.223 1.00 0.00 H new ATOM 0 HG3 GLU B 129 4.058 -8.124 -27.148 1.00 0.00 H new ATOM 2118 N LEU B 130 8.370 -8.458 -24.079 1.00 0.00 N ATOM 2119 CA LEU B 130 9.463 -7.747 -23.435 1.00 0.00 C ATOM 2120 C LEU B 130 10.495 -8.711 -22.861 1.00 0.00 C ATOM 2121 O LEU B 130 11.328 -8.331 -22.040 1.00 0.00 O ATOM 2122 CB LEU B 130 8.938 -6.812 -22.341 1.00 0.00 C ATOM 2123 CG LEU B 130 7.714 -7.308 -21.563 1.00 0.00 C ATOM 2124 CD1 LEU B 130 7.735 -6.777 -20.144 1.00 0.00 C ATOM 2125 CD2 LEU B 130 6.429 -6.875 -22.258 1.00 0.00 C ATOM 0 H LEU B 130 7.667 -8.824 -23.437 1.00 0.00 H new ATOM 0 HA LEU B 130 9.955 -7.145 -24.199 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.744 -6.627 -21.631 1.00 0.00 H new ATOM 0 HB3 LEU B 130 8.690 -5.854 -22.798 1.00 0.00 H new ATOM 0 HG LEU B 130 7.749 -8.397 -21.532 1.00 0.00 H new ATOM 0 HD11 LEU B 130 6.859 -7.139 -19.607 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.638 -7.122 -19.640 1.00 0.00 H new ATOM 0 HD13 LEU B 130 7.724 -5.687 -20.163 1.00 0.00 H new ATOM 0 HD21 LEU B 130 5.570 -7.236 -21.692 1.00 0.00 H new ATOM 0 HD22 LEU B 130 6.395 -5.787 -22.315 1.00 0.00 H new ATOM 0 HD23 LEU B 130 6.401 -7.292 -23.265 1.00 0.00 H new ATOM 2137 N TYR B 131 10.444 -9.955 -23.299 1.00 0.00 N ATOM 2138 CA TYR B 131 11.451 -10.931 -22.921 1.00 0.00 C ATOM 2139 C TYR B 131 12.091 -11.517 -24.167 1.00 0.00 C ATOM 2140 O TYR B 131 11.556 -12.445 -24.780 1.00 0.00 O ATOM 2141 CB TYR B 131 10.860 -12.041 -22.048 1.00 0.00 C ATOM 2142 CG TYR B 131 10.472 -11.578 -20.661 1.00 0.00 C ATOM 2143 CD1 TYR B 131 9.146 -11.355 -20.328 1.00 0.00 C ATOM 2144 CD2 TYR B 131 11.439 -11.358 -19.687 1.00 0.00 C ATOM 2145 CE1 TYR B 131 8.788 -10.927 -19.066 1.00 0.00 C ATOM 2146 CE2 TYR B 131 11.089 -10.931 -18.421 1.00 0.00 C ATOM 2147 CZ TYR B 131 9.763 -10.718 -18.117 1.00 0.00 C ATOM 2148 OH TYR B 131 9.407 -10.288 -16.861 1.00 0.00 O ATOM 0 H TYR B 131 9.716 -10.314 -23.917 1.00 0.00 H new ATOM 0 HA TYR B 131 12.213 -10.423 -22.330 1.00 0.00 H new ATOM 0 HB2 TYR B 131 9.981 -12.453 -22.544 1.00 0.00 H new ATOM 0 HB3 TYR B 131 11.586 -12.850 -21.962 1.00 0.00 H new ATOM 0 HD1 TYR B 131 8.378 -11.519 -21.070 1.00 0.00 H new ATOM 0 HD2 TYR B 131 12.480 -11.523 -19.924 1.00 0.00 H new ATOM 0 HE1 TYR B 131 7.749 -10.757 -18.824 1.00 0.00 H new ATOM 0 HE2 TYR B 131 11.851 -10.765 -17.674 1.00 0.00 H new ATOM 0 HH TYR B 131 10.211 -10.190 -16.309 1.00 0.00 H new