USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=19 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 100 HIS : no HD1:sc= -3.71! C(o=-3.6!,f=-5.3!) USER MOD Set 1.2: B 104 ASN :FLIP amide:sc= 0.12 F(o=-5.1!,f=-3.6) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= -0.271 X(o=-0.27,f=0.0055) USER MOD Single : B 21 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -1.02! X(o=-1!,f=-0.78) USER MOD Single : B 25 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0.844) USER MOD Single : B 30 GLN : amide:sc= -2.78 X(o=-2.8,f=-2.3!) USER MOD Single : B 39 HIS :FLIP no HE2:sc= 0.224 F(o=-0.94,f=0.22) USER MOD Single : B 41 ASN : amide:sc= -0.048 K(o=-0.048,f=-0.97) USER MOD Single : B 42 THR OG1 : rot -107:sc= 1.22 USER MOD Single : B 46 THR OG1 : rot 37:sc= 0.421 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.05 K(o=-1.1,f=-8.3!) USER MOD Single : B 52 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : B 53 HIS : no HE2:sc= -0.506 X(o=-0.51,f=-0.98) USER MOD Single : B 56 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.45) USER MOD Single : B 57 MET CE :methyl -155:sc= -0.274 (180deg=-0.857) USER MOD Single : B 62 SER OG : rot 180:sc= -0.0922 USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 THR OG1 : rot 137:sc= -0.569! USER MOD Single : B 80 GLN : amide:sc= -1.12 K(o=-1.1,f=-6.1!) USER MOD Single : B 85 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : B 94 SER OG : rot -138:sc= 1.07 USER MOD Single : B 102 MET CE :methyl 166:sc= -2.46 (180deg=-3.02) USER MOD Single : B 103 LYS NZ :NH3+ 163:sc= -0.0558 (180deg=-0.307) USER MOD Single : B 106 THR OG1 : rot 180:sc= 0 USER MOD Single : B 108 LYS NZ :NH3+ 175:sc= 1.51 (180deg=1.35) USER MOD Single : B 110 SER OG : rot 180:sc= 0 USER MOD Single : B 117 LYS NZ :NH3+ 173:sc= 1.26 (180deg=0.898) USER MOD Single : B 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N TRP B 9 -20.696 9.117 5.906 1.00 0.00 N ATOM 127 CA TRP B 9 -20.716 7.811 6.555 1.00 0.00 C ATOM 128 C TRP B 9 -21.034 7.929 8.035 1.00 0.00 C ATOM 129 O TRP B 9 -20.319 8.586 8.791 1.00 0.00 O ATOM 130 CB TRP B 9 -19.386 7.088 6.357 1.00 0.00 C ATOM 131 CG TRP B 9 -19.204 6.589 4.962 1.00 0.00 C ATOM 132 CD1 TRP B 9 -18.605 7.241 3.928 1.00 0.00 C ATOM 133 CD2 TRP B 9 -19.643 5.328 4.447 1.00 0.00 C ATOM 134 NE1 TRP B 9 -18.646 6.465 2.797 1.00 0.00 N ATOM 135 CE2 TRP B 9 -19.275 5.283 3.091 1.00 0.00 C ATOM 136 CE3 TRP B 9 -20.306 4.231 5.001 1.00 0.00 C ATOM 137 CZ2 TRP B 9 -19.556 4.188 2.280 1.00 0.00 C ATOM 138 CZ3 TRP B 9 -20.583 3.143 4.195 1.00 0.00 C ATOM 139 CH2 TRP B 9 -20.207 3.129 2.847 1.00 0.00 C ATOM 0 HA TRP B 9 -21.507 7.226 6.086 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -18.569 7.765 6.606 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -19.327 6.248 7.050 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -18.163 8.224 3.989 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -18.270 6.725 1.885 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -20.597 4.233 6.041 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -19.270 4.176 1.239 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -21.098 2.290 4.612 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -20.436 2.264 2.243 1.00 0.00 H new ATOM 150 N SER B 10 -22.124 7.300 8.427 1.00 0.00 N ATOM 151 CA SER B 10 -22.596 7.348 9.794 1.00 0.00 C ATOM 152 C SER B 10 -22.097 6.120 10.562 1.00 0.00 C ATOM 153 O SER B 10 -21.680 5.142 9.940 1.00 0.00 O ATOM 154 CB SER B 10 -24.121 7.420 9.766 1.00 0.00 C ATOM 155 OG SER B 10 -24.550 8.402 8.829 1.00 0.00 O ATOM 0 H SER B 10 -22.707 6.741 7.805 1.00 0.00 H new ATOM 0 HA SER B 10 -22.209 8.227 10.309 1.00 0.00 H new ATOM 0 HB2 SER B 10 -24.533 6.447 9.499 1.00 0.00 H new ATOM 0 HB3 SER B 10 -24.499 7.664 10.759 1.00 0.00 H new ATOM 0 HG SER B 10 -25.529 8.438 8.818 1.00 0.00 H new ATOM 161 N PRO B 11 -22.117 6.158 11.911 1.00 0.00 N ATOM 162 CA PRO B 11 -21.595 5.071 12.758 1.00 0.00 C ATOM 163 C PRO B 11 -22.002 3.670 12.295 1.00 0.00 C ATOM 164 O PRO B 11 -21.147 2.818 12.045 1.00 0.00 O ATOM 165 CB PRO B 11 -22.217 5.372 14.116 1.00 0.00 C ATOM 166 CG PRO B 11 -22.341 6.854 14.143 1.00 0.00 C ATOM 167 CD PRO B 11 -22.635 7.277 12.728 1.00 0.00 C ATOM 0 HA PRO B 11 -20.505 5.050 12.743 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -23.188 4.890 14.224 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -21.589 5.010 14.930 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -23.140 7.166 14.816 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -21.422 7.315 14.504 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -23.703 7.428 12.569 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -22.140 8.216 12.480 1.00 0.00 H new ATOM 175 N GLU B 12 -23.305 3.445 12.164 1.00 0.00 N ATOM 176 CA GLU B 12 -23.824 2.134 11.789 1.00 0.00 C ATOM 177 C GLU B 12 -23.487 1.817 10.335 1.00 0.00 C ATOM 178 O GLU B 12 -23.303 0.660 9.964 1.00 0.00 O ATOM 179 CB GLU B 12 -25.342 2.094 12.000 1.00 0.00 C ATOM 180 CG GLU B 12 -25.970 0.726 11.774 1.00 0.00 C ATOM 181 CD GLU B 12 -25.453 -0.342 12.722 1.00 0.00 C ATOM 182 OE1 GLU B 12 -25.651 -1.539 12.426 1.00 0.00 O ATOM 183 OE2 GLU B 12 -24.856 0.005 13.769 1.00 0.00 O ATOM 0 H GLU B 12 -24.022 4.155 12.312 1.00 0.00 H new ATOM 0 HA GLU B 12 -23.355 1.380 12.422 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -25.564 2.420 13.016 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -25.810 2.811 11.326 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -27.051 0.808 11.887 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -25.779 0.413 10.748 1.00 0.00 H new ATOM 190 N GLU B 13 -23.378 2.860 9.529 1.00 0.00 N ATOM 191 CA GLU B 13 -23.137 2.713 8.102 1.00 0.00 C ATOM 192 C GLU B 13 -21.706 2.239 7.851 1.00 0.00 C ATOM 193 O GLU B 13 -21.472 1.351 7.031 1.00 0.00 O ATOM 194 CB GLU B 13 -23.414 4.046 7.405 1.00 0.00 C ATOM 195 CG GLU B 13 -23.658 3.937 5.911 1.00 0.00 C ATOM 196 CD GLU B 13 -24.438 5.123 5.393 1.00 0.00 C ATOM 197 OE1 GLU B 13 -23.831 6.187 5.162 1.00 0.00 O ATOM 198 OE2 GLU B 13 -25.677 5.004 5.245 1.00 0.00 O ATOM 0 H GLU B 13 -23.453 3.828 9.842 1.00 0.00 H new ATOM 0 HA GLU B 13 -23.808 1.959 7.691 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -24.284 4.510 7.869 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -22.568 4.713 7.574 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -22.704 3.871 5.389 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -24.204 3.018 5.696 1.00 0.00 H new ATOM 205 N GLU B 14 -20.756 2.816 8.583 1.00 0.00 N ATOM 206 CA GLU B 14 -19.362 2.389 8.500 1.00 0.00 C ATOM 207 C GLU B 14 -19.207 0.970 9.039 1.00 0.00 C ATOM 208 O GLU B 14 -18.411 0.182 8.527 1.00 0.00 O ATOM 209 CB GLU B 14 -18.454 3.332 9.292 1.00 0.00 C ATOM 210 CG GLU B 14 -18.460 4.763 8.785 1.00 0.00 C ATOM 211 CD GLU B 14 -17.468 5.643 9.516 1.00 0.00 C ATOM 212 OE1 GLU B 14 -16.339 5.816 9.011 1.00 0.00 O ATOM 213 OE2 GLU B 14 -17.808 6.158 10.605 1.00 0.00 O ATOM 0 H GLU B 14 -20.926 3.579 9.239 1.00 0.00 H new ATOM 0 HA GLU B 14 -19.068 2.413 7.451 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -18.764 3.326 10.337 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -17.434 2.950 9.260 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -18.229 4.768 7.720 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -19.461 5.180 8.896 1.00 0.00 H new ATOM 220 N ALA B 15 -19.973 0.648 10.075 1.00 0.00 N ATOM 221 CA ALA B 15 -19.945 -0.685 10.657 1.00 0.00 C ATOM 222 C ALA B 15 -20.553 -1.700 9.697 1.00 0.00 C ATOM 223 O ALA B 15 -20.031 -2.787 9.522 1.00 0.00 O ATOM 224 CB ALA B 15 -20.679 -0.703 11.986 1.00 0.00 C ATOM 0 H ALA B 15 -20.620 1.293 10.528 1.00 0.00 H new ATOM 0 HA ALA B 15 -18.905 -0.960 10.835 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -20.647 -1.708 12.406 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -20.201 -0.007 12.675 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -21.717 -0.407 11.833 1.00 0.00 H new ATOM 230 N HIS B 16 -21.660 -1.327 9.079 1.00 0.00 N ATOM 231 CA HIS B 16 -22.310 -2.141 8.061 1.00 0.00 C ATOM 232 C HIS B 16 -21.367 -2.368 6.878 1.00 0.00 C ATOM 233 O HIS B 16 -21.439 -3.393 6.197 1.00 0.00 O ATOM 234 CB HIS B 16 -23.599 -1.453 7.587 1.00 0.00 C ATOM 235 CG HIS B 16 -24.518 -2.331 6.794 1.00 0.00 C ATOM 236 ND1 HIS B 16 -25.738 -1.902 6.324 1.00 0.00 N ATOM 237 CD2 HIS B 16 -24.399 -3.621 6.398 1.00 0.00 C ATOM 238 CE1 HIS B 16 -26.329 -2.890 5.678 1.00 0.00 C ATOM 239 NE2 HIS B 16 -25.537 -3.943 5.707 1.00 0.00 N ATOM 0 H HIS B 16 -22.138 -0.446 9.269 1.00 0.00 H new ATOM 0 HA HIS B 16 -22.562 -3.109 8.493 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -24.137 -1.079 8.458 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -23.332 -0.587 6.981 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -23.561 -4.275 6.591 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -27.299 -2.843 5.205 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -25.738 -4.849 5.284 1.00 0.00 H new ATOM 248 N LEU B 17 -20.483 -1.409 6.645 1.00 0.00 N ATOM 249 CA LEU B 17 -19.500 -1.522 5.579 1.00 0.00 C ATOM 250 C LEU B 17 -18.564 -2.698 5.848 1.00 0.00 C ATOM 251 O LEU B 17 -18.369 -3.559 4.989 1.00 0.00 O ATOM 252 CB LEU B 17 -18.703 -0.224 5.453 1.00 0.00 C ATOM 253 CG LEU B 17 -17.888 -0.086 4.170 1.00 0.00 C ATOM 254 CD1 LEU B 17 -18.800 -0.139 2.959 1.00 0.00 C ATOM 255 CD2 LEU B 17 -17.095 1.206 4.181 1.00 0.00 C ATOM 0 H LEU B 17 -20.427 -0.543 7.181 1.00 0.00 H new ATOM 0 HA LEU B 17 -20.022 -1.700 4.639 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -19.394 0.616 5.518 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -18.027 -0.147 6.304 1.00 0.00 H new ATOM 0 HG LEU B 17 -17.187 -0.919 4.113 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -18.205 -0.039 2.051 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -19.329 -1.092 2.943 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -19.522 0.676 3.011 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -16.520 1.288 3.259 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -17.778 2.052 4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -16.416 1.209 5.034 1.00 0.00 H new ATOM 267 N ARG B 18 -18.007 -2.746 7.057 1.00 0.00 N ATOM 268 CA ARG B 18 -17.172 -3.864 7.452 1.00 0.00 C ATOM 269 C ARG B 18 -18.046 -5.094 7.633 1.00 0.00 C ATOM 270 O ARG B 18 -17.642 -6.200 7.300 1.00 0.00 O ATOM 271 CB ARG B 18 -16.401 -3.564 8.749 1.00 0.00 C ATOM 272 CG ARG B 18 -17.281 -3.472 9.982 1.00 0.00 C ATOM 273 CD ARG B 18 -16.488 -3.195 11.246 1.00 0.00 C ATOM 274 NE ARG B 18 -17.359 -3.163 12.423 1.00 0.00 N ATOM 275 CZ ARG B 18 -17.028 -2.609 13.591 1.00 0.00 C ATOM 276 NH1 ARG B 18 -15.827 -2.068 13.761 1.00 0.00 N ATOM 277 NH2 ARG B 18 -17.900 -2.602 14.594 1.00 0.00 N ATOM 0 H ARG B 18 -18.121 -2.026 7.771 1.00 0.00 H new ATOM 0 HA ARG B 18 -16.435 -4.042 6.669 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -15.655 -4.343 8.905 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -15.861 -2.625 8.630 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -18.018 -2.682 9.840 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.832 -4.405 10.101 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -15.726 -3.963 11.376 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -15.967 -2.242 11.150 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.281 -3.593 12.345 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -15.152 -2.074 12.996 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -15.580 -1.646 14.656 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.822 -3.020 14.471 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -17.647 -2.179 15.487 1.00 0.00 H new ATOM 291 N GLU B 19 -19.265 -4.870 8.131 1.00 0.00 N ATOM 292 CA GLU B 19 -20.222 -5.936 8.394 1.00 0.00 C ATOM 293 C GLU B 19 -20.340 -6.863 7.192 1.00 0.00 C ATOM 294 O GLU B 19 -20.188 -8.083 7.299 1.00 0.00 O ATOM 295 CB GLU B 19 -21.595 -5.343 8.714 1.00 0.00 C ATOM 296 CG GLU B 19 -22.638 -6.380 9.084 1.00 0.00 C ATOM 297 CD GLU B 19 -22.229 -7.210 10.282 1.00 0.00 C ATOM 298 OE1 GLU B 19 -22.013 -6.628 11.367 1.00 0.00 O ATOM 299 OE2 GLU B 19 -22.132 -8.448 10.151 1.00 0.00 O ATOM 0 H GLU B 19 -19.612 -3.939 8.362 1.00 0.00 H new ATOM 0 HA GLU B 19 -19.864 -6.510 9.249 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -21.492 -4.635 9.536 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -21.947 -4.779 7.850 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -23.583 -5.880 9.297 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -22.810 -7.038 8.232 1.00 0.00 H new ATOM 306 N LEU B 20 -20.579 -6.250 6.045 1.00 0.00 N ATOM 307 CA LEU B 20 -20.774 -6.966 4.801 1.00 0.00 C ATOM 308 C LEU B 20 -19.482 -7.623 4.323 1.00 0.00 C ATOM 309 O LEU B 20 -19.504 -8.730 3.776 1.00 0.00 O ATOM 310 CB LEU B 20 -21.301 -5.994 3.751 1.00 0.00 C ATOM 311 CG LEU B 20 -22.692 -6.314 3.221 1.00 0.00 C ATOM 312 CD1 LEU B 20 -23.337 -5.064 2.645 1.00 0.00 C ATOM 313 CD2 LEU B 20 -22.601 -7.408 2.171 1.00 0.00 C ATOM 0 H LEU B 20 -20.643 -5.236 5.953 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.498 -7.765 4.964 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -21.313 -4.991 4.179 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.604 -5.975 2.913 1.00 0.00 H new ATOM 0 HG LEU B 20 -23.316 -6.669 4.041 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -24.331 -5.307 2.270 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -23.419 -4.305 3.423 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -22.724 -4.682 1.828 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -23.598 -7.634 1.794 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -21.970 -7.071 1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -22.169 -8.304 2.616 1.00 0.00 H new ATOM 325 N TYR B 21 -18.360 -6.948 4.548 1.00 0.00 N ATOM 326 CA TYR B 21 -17.065 -7.466 4.132 1.00 0.00 C ATOM 327 C TYR B 21 -16.705 -8.690 4.953 1.00 0.00 C ATOM 328 O TYR B 21 -16.393 -9.747 4.413 1.00 0.00 O ATOM 329 CB TYR B 21 -15.975 -6.401 4.301 1.00 0.00 C ATOM 330 CG TYR B 21 -14.584 -6.907 3.980 1.00 0.00 C ATOM 331 CD1 TYR B 21 -14.142 -7.008 2.669 1.00 0.00 C ATOM 332 CD2 TYR B 21 -13.719 -7.293 4.995 1.00 0.00 C ATOM 333 CE1 TYR B 21 -12.875 -7.480 2.378 1.00 0.00 C ATOM 334 CE2 TYR B 21 -12.451 -7.762 4.714 1.00 0.00 C ATOM 335 CZ TYR B 21 -12.034 -7.855 3.405 1.00 0.00 C ATOM 336 OH TYR B 21 -10.772 -8.325 3.119 1.00 0.00 O ATOM 0 H TYR B 21 -18.323 -6.042 5.016 1.00 0.00 H new ATOM 0 HA TYR B 21 -17.131 -7.740 3.079 1.00 0.00 H new ATOM 0 HB2 TYR B 21 -16.203 -5.553 3.655 1.00 0.00 H new ATOM 0 HB3 TYR B 21 -15.992 -6.034 5.327 1.00 0.00 H new ATOM 0 HD1 TYR B 21 -14.798 -6.713 1.863 1.00 0.00 H new ATOM 0 HD2 TYR B 21 -14.044 -7.225 6.023 1.00 0.00 H new ATOM 0 HE1 TYR B 21 -12.546 -7.555 1.352 1.00 0.00 H new ATOM 0 HE2 TYR B 21 -11.790 -8.054 5.517 1.00 0.00 H new ATOM 0 HH TYR B 21 -10.308 -8.544 3.954 1.00 0.00 H new ATOM 346 N LEU B 22 -16.777 -8.528 6.265 1.00 0.00 N ATOM 347 CA LEU B 22 -16.387 -9.567 7.205 1.00 0.00 C ATOM 348 C LEU B 22 -17.206 -10.842 6.996 1.00 0.00 C ATOM 349 O LEU B 22 -16.760 -11.938 7.332 1.00 0.00 O ATOM 350 CB LEU B 22 -16.572 -9.059 8.637 1.00 0.00 C ATOM 351 CG LEU B 22 -15.896 -7.718 8.947 1.00 0.00 C ATOM 352 CD1 LEU B 22 -16.271 -7.230 10.336 1.00 0.00 C ATOM 353 CD2 LEU B 22 -14.386 -7.822 8.809 1.00 0.00 C ATOM 0 H LEU B 22 -17.108 -7.671 6.709 1.00 0.00 H new ATOM 0 HA LEU B 22 -15.338 -9.808 7.032 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -17.639 -8.964 8.837 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -16.185 -9.811 9.325 1.00 0.00 H new ATOM 0 HG LEU B 22 -16.254 -6.990 8.219 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -15.779 -6.277 10.532 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.351 -7.100 10.396 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.952 -7.962 11.077 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -13.933 -6.857 9.035 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -14.008 -8.572 9.504 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -14.133 -8.112 7.789 1.00 0.00 H new ATOM 365 N ALA B 23 -18.400 -10.693 6.431 1.00 0.00 N ATOM 366 CA ALA B 23 -19.271 -11.833 6.187 1.00 0.00 C ATOM 367 C ALA B 23 -18.926 -12.539 4.873 1.00 0.00 C ATOM 368 O ALA B 23 -18.607 -13.728 4.865 1.00 0.00 O ATOM 369 CB ALA B 23 -20.729 -11.390 6.185 1.00 0.00 C ATOM 0 H ALA B 23 -18.784 -9.796 6.135 1.00 0.00 H new ATOM 0 HA ALA B 23 -19.116 -12.548 6.995 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -21.371 -12.252 6.001 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -20.977 -10.952 7.152 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -20.883 -10.649 5.400 1.00 0.00 H new ATOM 375 N ASN B 24 -18.955 -11.798 3.771 1.00 0.00 N ATOM 376 CA ASN B 24 -18.845 -12.394 2.443 1.00 0.00 C ATOM 377 C ASN B 24 -17.394 -12.527 1.982 1.00 0.00 C ATOM 378 O ASN B 24 -17.138 -12.900 0.839 1.00 0.00 O ATOM 379 CB ASN B 24 -19.625 -11.559 1.426 1.00 0.00 C ATOM 380 CG ASN B 24 -21.110 -11.479 1.733 1.00 0.00 C ATOM 381 OD1 ASN B 24 -21.898 -12.304 1.271 1.00 0.00 O ATOM 382 ND2 ASN B 24 -21.506 -10.476 2.507 1.00 0.00 N ATOM 0 H ASN B 24 -19.054 -10.783 3.770 1.00 0.00 H new ATOM 0 HA ASN B 24 -19.266 -13.397 2.509 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -19.211 -10.551 1.399 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -19.488 -11.987 0.433 1.00 0.00 H new ATOM 0 HD21 ASN B 24 -22.494 -10.369 2.738 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -20.822 -9.812 2.871 1.00 0.00 H new ATOM 389 N LYS B 25 -16.448 -12.236 2.866 1.00 0.00 N ATOM 390 CA LYS B 25 -15.029 -12.297 2.512 1.00 0.00 C ATOM 391 C LYS B 25 -14.562 -13.734 2.292 1.00 0.00 C ATOM 392 O LYS B 25 -13.533 -13.970 1.658 1.00 0.00 O ATOM 393 CB LYS B 25 -14.166 -11.645 3.597 1.00 0.00 C ATOM 394 CG LYS B 25 -14.314 -12.286 4.970 1.00 0.00 C ATOM 395 CD LYS B 25 -13.318 -11.710 5.964 1.00 0.00 C ATOM 396 CE LYS B 25 -13.432 -12.383 7.322 1.00 0.00 C ATOM 397 NZ LYS B 25 -13.190 -13.850 7.242 1.00 0.00 N ATOM 0 H LYS B 25 -16.633 -11.956 3.829 1.00 0.00 H new ATOM 0 HA LYS B 25 -14.913 -11.748 1.578 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -13.120 -11.695 3.294 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -14.427 -10.589 3.670 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -15.328 -12.130 5.338 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -14.166 -13.363 4.888 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -12.306 -11.834 5.579 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -13.489 -10.639 6.072 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -12.715 -11.935 8.010 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -14.425 -12.202 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -12.975 -14.219 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -14.039 -14.322 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -12.386 -14.035 6.608 1.00 0.00 H new ATOM 411 N ASP B 26 -15.321 -14.691 2.806 1.00 0.00 N ATOM 412 CA ASP B 26 -14.928 -16.096 2.734 1.00 0.00 C ATOM 413 C ASP B 26 -15.565 -16.788 1.540 1.00 0.00 C ATOM 414 O ASP B 26 -15.410 -17.997 1.356 1.00 0.00 O ATOM 415 CB ASP B 26 -15.301 -16.831 4.026 1.00 0.00 C ATOM 416 CG ASP B 26 -14.461 -16.391 5.206 1.00 0.00 C ATOM 417 OD1 ASP B 26 -13.343 -16.922 5.379 1.00 0.00 O ATOM 418 OD2 ASP B 26 -14.907 -15.507 5.968 1.00 0.00 O ATOM 0 H ASP B 26 -16.210 -14.524 3.277 1.00 0.00 H new ATOM 0 HA ASP B 26 -13.846 -16.127 2.610 1.00 0.00 H new ATOM 0 HB2 ASP B 26 -16.354 -16.657 4.248 1.00 0.00 H new ATOM 0 HB3 ASP B 26 -15.180 -17.904 3.878 1.00 0.00 H new ATOM 423 N VAL B 27 -16.267 -16.020 0.725 1.00 0.00 N ATOM 424 CA VAL B 27 -16.916 -16.556 -0.458 1.00 0.00 C ATOM 425 C VAL B 27 -15.946 -16.518 -1.629 1.00 0.00 C ATOM 426 O VAL B 27 -15.467 -15.454 -2.019 1.00 0.00 O ATOM 427 CB VAL B 27 -18.197 -15.774 -0.813 1.00 0.00 C ATOM 428 CG1 VAL B 27 -18.929 -16.437 -1.971 1.00 0.00 C ATOM 429 CG2 VAL B 27 -19.109 -15.659 0.399 1.00 0.00 C ATOM 0 H VAL B 27 -16.402 -15.018 0.862 1.00 0.00 H new ATOM 0 HA VAL B 27 -17.206 -17.585 -0.246 1.00 0.00 H new ATOM 0 HB VAL B 27 -17.907 -14.769 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL B 27 -19.830 -15.869 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL B 27 -18.279 -16.463 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL B 27 -19.204 -17.455 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL B 27 -20.007 -15.104 0.127 1.00 0.00 H new ATOM 0 HG22 VAL B 27 -19.388 -16.656 0.740 1.00 0.00 H new ATOM 0 HG23 VAL B 27 -18.586 -15.135 1.199 1.00 0.00 H new ATOM 439 N GLU B 28 -15.645 -17.684 -2.171 1.00 0.00 N ATOM 440 CA GLU B 28 -14.626 -17.804 -3.199 1.00 0.00 C ATOM 441 C GLU B 28 -15.219 -17.712 -4.601 1.00 0.00 C ATOM 442 O GLU B 28 -16.277 -18.280 -4.883 1.00 0.00 O ATOM 443 CB GLU B 28 -13.881 -19.120 -3.032 1.00 0.00 C ATOM 444 CG GLU B 28 -13.192 -19.255 -1.684 1.00 0.00 C ATOM 445 CD GLU B 28 -12.464 -20.572 -1.541 1.00 0.00 C ATOM 446 OE1 GLU B 28 -11.282 -20.647 -1.937 1.00 0.00 O ATOM 447 OE2 GLU B 28 -13.068 -21.541 -1.042 1.00 0.00 O ATOM 0 H GLU B 28 -16.093 -18.564 -1.916 1.00 0.00 H new ATOM 0 HA GLU B 28 -13.933 -16.971 -3.082 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -14.582 -19.945 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -13.137 -19.211 -3.823 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -12.485 -18.436 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -13.932 -19.164 -0.889 1.00 0.00 H new ATOM 454 N GLY B 29 -14.528 -16.984 -5.475 1.00 0.00 N ATOM 455 CA GLY B 29 -14.985 -16.814 -6.843 1.00 0.00 C ATOM 456 C GLY B 29 -15.992 -15.695 -6.951 1.00 0.00 C ATOM 457 O GLY B 29 -16.615 -15.490 -7.992 1.00 0.00 O ATOM 0 H GLY B 29 -13.654 -16.506 -5.257 1.00 0.00 H new ATOM 0 HA2 GLY B 29 -14.133 -16.603 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY B 29 -15.431 -17.743 -7.197 1.00 0.00 H new ATOM 461 N GLN B 30 -16.137 -14.964 -5.865 1.00 0.00 N ATOM 462 CA GLN B 30 -17.111 -13.899 -5.771 1.00 0.00 C ATOM 463 C GLN B 30 -16.416 -12.566 -5.527 1.00 0.00 C ATOM 464 O GLN B 30 -15.335 -12.519 -4.939 1.00 0.00 O ATOM 465 CB GLN B 30 -18.113 -14.233 -4.650 1.00 0.00 C ATOM 466 CG GLN B 30 -18.849 -13.035 -4.056 1.00 0.00 C ATOM 467 CD GLN B 30 -18.170 -12.493 -2.808 1.00 0.00 C ATOM 468 OE1 GLN B 30 -16.964 -12.638 -2.630 1.00 0.00 O ATOM 469 NE2 GLN B 30 -18.934 -11.852 -1.942 1.00 0.00 N ATOM 0 H GLN B 30 -15.580 -15.093 -5.020 1.00 0.00 H new ATOM 0 HA GLN B 30 -17.658 -13.810 -6.710 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -18.850 -14.934 -5.041 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -17.580 -14.745 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -18.912 -12.244 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -19.871 -13.325 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -19.933 -11.750 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -18.525 -11.459 -1.094 1.00 0.00 H new ATOM 478 N ASP B 31 -17.021 -11.496 -6.014 1.00 0.00 N ATOM 479 CA ASP B 31 -16.548 -10.154 -5.718 1.00 0.00 C ATOM 480 C ASP B 31 -17.078 -9.713 -4.369 1.00 0.00 C ATOM 481 O ASP B 31 -18.257 -9.371 -4.246 1.00 0.00 O ATOM 482 CB ASP B 31 -17.018 -9.156 -6.776 1.00 0.00 C ATOM 483 CG ASP B 31 -16.364 -9.357 -8.128 1.00 0.00 C ATOM 484 OD1 ASP B 31 -16.852 -10.196 -8.910 1.00 0.00 O ATOM 485 OD2 ASP B 31 -15.365 -8.667 -8.416 1.00 0.00 O ATOM 0 H ASP B 31 -17.843 -11.531 -6.617 1.00 0.00 H new ATOM 0 HA ASP B 31 -15.458 -10.177 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -18.099 -9.239 -6.888 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -16.811 -8.144 -6.428 1.00 0.00 H new ATOM 490 N VAL B 32 -16.221 -9.729 -3.358 1.00 0.00 N ATOM 491 CA VAL B 32 -16.626 -9.293 -2.031 1.00 0.00 C ATOM 492 C VAL B 32 -17.041 -7.830 -2.094 1.00 0.00 C ATOM 493 O VAL B 32 -17.941 -7.393 -1.385 1.00 0.00 O ATOM 494 CB VAL B 32 -15.504 -9.484 -0.977 1.00 0.00 C ATOM 495 CG1 VAL B 32 -14.380 -8.475 -1.166 1.00 0.00 C ATOM 496 CG2 VAL B 32 -16.071 -9.394 0.432 1.00 0.00 C ATOM 0 H VAL B 32 -15.251 -10.036 -3.430 1.00 0.00 H new ATOM 0 HA VAL B 32 -17.465 -9.913 -1.715 1.00 0.00 H new ATOM 0 HB VAL B 32 -15.083 -10.479 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -13.612 -8.640 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -13.944 -8.597 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -14.777 -7.465 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -15.268 -9.531 1.157 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -16.529 -8.416 0.578 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -16.822 -10.171 0.572 1.00 0.00 H new ATOM 506 N VAL B 33 -16.388 -7.097 -2.988 1.00 0.00 N ATOM 507 CA VAL B 33 -16.697 -5.704 -3.234 1.00 0.00 C ATOM 508 C VAL B 33 -18.144 -5.559 -3.670 1.00 0.00 C ATOM 509 O VAL B 33 -18.920 -4.852 -3.036 1.00 0.00 O ATOM 510 CB VAL B 33 -15.805 -5.119 -4.343 1.00 0.00 C ATOM 511 CG1 VAL B 33 -15.686 -3.614 -4.200 1.00 0.00 C ATOM 512 CG2 VAL B 33 -14.439 -5.784 -4.354 1.00 0.00 C ATOM 0 H VAL B 33 -15.627 -7.459 -3.562 1.00 0.00 H new ATOM 0 HA VAL B 33 -16.519 -5.164 -2.304 1.00 0.00 H new ATOM 0 HB VAL B 33 -16.278 -5.326 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -15.051 -3.222 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -16.676 -3.162 -4.270 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -15.246 -3.374 -3.232 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -13.830 -5.351 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -13.949 -5.625 -3.393 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -14.556 -6.853 -4.529 1.00 0.00 H new ATOM 522 N GLU B 34 -18.488 -6.257 -4.751 1.00 0.00 N ATOM 523 CA GLU B 34 -19.829 -6.210 -5.325 1.00 0.00 C ATOM 524 C GLU B 34 -20.858 -6.543 -4.256 1.00 0.00 C ATOM 525 O GLU B 34 -21.903 -5.898 -4.163 1.00 0.00 O ATOM 526 CB GLU B 34 -19.923 -7.196 -6.497 1.00 0.00 C ATOM 527 CG GLU B 34 -21.012 -6.881 -7.516 1.00 0.00 C ATOM 528 CD GLU B 34 -22.415 -7.072 -6.978 1.00 0.00 C ATOM 529 OE1 GLU B 34 -23.201 -6.102 -7.001 1.00 0.00 O ATOM 530 OE2 GLU B 34 -22.740 -8.194 -6.537 1.00 0.00 O ATOM 0 H GLU B 34 -17.845 -6.870 -5.252 1.00 0.00 H new ATOM 0 HA GLU B 34 -20.032 -5.206 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.962 -7.220 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -20.097 -8.196 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -20.897 -5.850 -7.852 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.876 -7.518 -8.390 1.00 0.00 H new ATOM 537 N ALA B 35 -20.524 -7.521 -3.425 1.00 0.00 N ATOM 538 CA ALA B 35 -21.395 -7.921 -2.331 1.00 0.00 C ATOM 539 C ALA B 35 -21.664 -6.739 -1.412 1.00 0.00 C ATOM 540 O ALA B 35 -22.809 -6.422 -1.104 1.00 0.00 O ATOM 541 CB ALA B 35 -20.772 -9.062 -1.547 1.00 0.00 C ATOM 0 H ALA B 35 -19.655 -8.052 -3.489 1.00 0.00 H new ATOM 0 HA ALA B 35 -22.342 -8.263 -2.750 1.00 0.00 H new ATOM 0 HB1 ALA B 35 -21.437 -9.349 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA B 35 -20.618 -9.915 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -19.814 -8.742 -1.138 1.00 0.00 H new ATOM 547 N ILE B 36 -20.600 -6.074 -0.999 1.00 0.00 N ATOM 548 CA ILE B 36 -20.713 -4.942 -0.098 1.00 0.00 C ATOM 549 C ILE B 36 -21.439 -3.781 -0.765 1.00 0.00 C ATOM 550 O ILE B 36 -22.458 -3.321 -0.259 1.00 0.00 O ATOM 551 CB ILE B 36 -19.332 -4.465 0.377 1.00 0.00 C ATOM 552 CG1 ILE B 36 -18.546 -5.643 0.944 1.00 0.00 C ATOM 553 CG2 ILE B 36 -19.489 -3.374 1.428 1.00 0.00 C ATOM 554 CD1 ILE B 36 -17.081 -5.356 1.131 1.00 0.00 C ATOM 0 H ILE B 36 -19.644 -6.300 -1.275 1.00 0.00 H new ATOM 0 HA ILE B 36 -21.288 -5.279 0.764 1.00 0.00 H new ATOM 0 HB ILE B 36 -18.784 -4.053 -0.470 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -18.977 -5.928 1.904 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -18.658 -6.498 0.277 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -18.505 -3.043 1.758 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -20.031 -2.531 0.999 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -20.044 -3.767 2.280 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -16.586 -6.238 1.537 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -16.635 -5.100 0.170 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -16.959 -4.521 1.821 1.00 0.00 H new ATOM 566 N LEU B 37 -20.922 -3.345 -1.918 1.00 0.00 N ATOM 567 CA LEU B 37 -21.458 -2.171 -2.626 1.00 0.00 C ATOM 568 C LEU B 37 -22.976 -2.260 -2.780 1.00 0.00 C ATOM 569 O LEU B 37 -23.693 -1.278 -2.597 1.00 0.00 O ATOM 570 CB LEU B 37 -20.862 -2.050 -4.036 1.00 0.00 C ATOM 571 CG LEU B 37 -19.356 -2.272 -4.181 1.00 0.00 C ATOM 572 CD1 LEU B 37 -19.004 -2.516 -5.636 1.00 0.00 C ATOM 573 CD2 LEU B 37 -18.589 -1.078 -3.666 1.00 0.00 C ATOM 0 H LEU B 37 -20.130 -3.787 -2.385 1.00 0.00 H new ATOM 0 HA LEU B 37 -21.189 -1.303 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -21.372 -2.766 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -21.095 -1.056 -4.417 1.00 0.00 H new ATOM 0 HG LEU B 37 -19.080 -3.146 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -17.929 -2.673 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -19.532 -3.399 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -19.297 -1.651 -6.231 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -17.520 -1.256 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -18.871 -0.192 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -18.822 -0.922 -2.613 1.00 0.00 H new ATOM 585 N ALA B 38 -23.448 -3.450 -3.119 1.00 0.00 N ATOM 586 CA ALA B 38 -24.842 -3.651 -3.500 1.00 0.00 C ATOM 587 C ALA B 38 -25.756 -3.959 -2.317 1.00 0.00 C ATOM 588 O ALA B 38 -26.908 -3.532 -2.300 1.00 0.00 O ATOM 589 CB ALA B 38 -24.932 -4.764 -4.524 1.00 0.00 C ATOM 0 H ALA B 38 -22.883 -4.299 -3.139 1.00 0.00 H new ATOM 0 HA ALA B 38 -25.192 -2.710 -3.924 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -25.974 -4.914 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -24.350 -4.495 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -24.537 -5.685 -4.096 1.00 0.00 H new ATOM 595 N HIS B 39 -25.257 -4.690 -1.329 1.00 0.00 N ATOM 596 CA HIS B 39 -26.118 -5.148 -0.237 1.00 0.00 C ATOM 597 C HIS B 39 -26.396 -4.040 0.775 1.00 0.00 C ATOM 598 O HIS B 39 -27.237 -4.203 1.661 1.00 0.00 O ATOM 599 CB HIS B 39 -25.531 -6.368 0.470 1.00 0.00 C ATOM 600 CG HIS B 39 -25.743 -7.663 -0.256 1.00 0.00 C ATOM 601 ND1 HIS B 39 -25.084 -8.204 -1.306 1.00 0.00 N flip ATOM 602 CD2 HIS B 39 -26.716 -8.577 0.089 1.00 0.00 C flip ATOM 603 CE1 HIS B 39 -25.660 -9.418 -1.573 1.00 0.00 C flip ATOM 604 NE2 HIS B 39 -26.642 -9.620 -0.718 1.00 0.00 N flip ATOM 0 H HIS B 39 -24.281 -4.976 -1.257 1.00 0.00 H new ATOM 0 HA HIS B 39 -27.065 -5.436 -0.693 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -24.461 -6.213 0.608 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -25.973 -6.445 1.463 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -24.301 -7.785 -1.808 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -27.427 -8.459 0.893 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -25.359 -10.098 -2.356 1.00 0.00 H new ATOM 613 N LEU B 40 -25.683 -2.926 0.670 1.00 0.00 N ATOM 614 CA LEU B 40 -26.027 -1.754 1.460 1.00 0.00 C ATOM 615 C LEU B 40 -26.478 -0.605 0.564 1.00 0.00 C ATOM 616 O LEU B 40 -25.727 0.321 0.269 1.00 0.00 O ATOM 617 CB LEU B 40 -24.888 -1.325 2.413 1.00 0.00 C ATOM 618 CG LEU B 40 -23.443 -1.521 1.927 1.00 0.00 C ATOM 619 CD1 LEU B 40 -23.063 -0.534 0.833 1.00 0.00 C ATOM 620 CD2 LEU B 40 -22.481 -1.395 3.097 1.00 0.00 C ATOM 0 H LEU B 40 -24.877 -2.810 0.056 1.00 0.00 H new ATOM 0 HA LEU B 40 -26.866 -2.033 2.097 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -25.024 -0.269 2.645 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -25.006 -1.875 3.347 1.00 0.00 H new ATOM 0 HG LEU B 40 -23.376 -2.521 1.500 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -22.033 -0.713 0.523 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -23.727 -0.665 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -23.156 0.484 1.213 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -21.459 -1.535 2.745 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -22.578 -0.405 3.543 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -22.715 -2.154 3.843 1.00 0.00 H new ATOM 632 N ASN B 41 -27.735 -0.658 0.146 1.00 0.00 N ATOM 633 CA ASN B 41 -28.300 0.385 -0.704 1.00 0.00 C ATOM 634 C ASN B 41 -28.750 1.568 0.142 1.00 0.00 C ATOM 635 O ASN B 41 -29.773 2.202 -0.121 1.00 0.00 O ATOM 636 CB ASN B 41 -29.468 -0.168 -1.525 1.00 0.00 C ATOM 637 CG ASN B 41 -29.007 -0.999 -2.711 1.00 0.00 C ATOM 638 OD1 ASN B 41 -27.977 -0.716 -3.327 1.00 0.00 O ATOM 639 ND2 ASN B 41 -29.760 -2.036 -3.035 1.00 0.00 N ATOM 0 H ASN B 41 -28.383 -1.410 0.380 1.00 0.00 H new ATOM 0 HA ASN B 41 -27.530 0.728 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN B 41 -30.102 -0.779 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN B 41 -30.080 0.660 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN B 41 -29.495 -2.633 -3.818 1.00 0.00 H new ATOM 0 HD22 ASN B 41 -30.606 -2.239 -2.502 1.00 0.00 H new ATOM 646 N THR B 42 -27.943 1.873 1.143 1.00 0.00 N ATOM 647 CA THR B 42 -28.168 3.005 2.014 1.00 0.00 C ATOM 648 C THR B 42 -27.372 4.199 1.498 1.00 0.00 C ATOM 649 O THR B 42 -27.566 5.336 1.931 1.00 0.00 O ATOM 650 CB THR B 42 -27.756 2.665 3.474 1.00 0.00 C ATOM 651 OG1 THR B 42 -27.923 3.800 4.333 1.00 0.00 O ATOM 652 CG2 THR B 42 -26.313 2.181 3.543 1.00 0.00 C ATOM 0 H THR B 42 -27.107 1.335 1.373 1.00 0.00 H new ATOM 0 HA THR B 42 -29.230 3.251 2.016 1.00 0.00 H new ATOM 0 HB THR B 42 -28.411 1.863 3.815 1.00 0.00 H new ATOM 0 HG1 THR B 42 -27.044 4.163 4.569 1.00 0.00 H new ATOM 0 HG21 THR B 42 -26.055 1.951 4.577 1.00 0.00 H new ATOM 0 HG22 THR B 42 -26.200 1.285 2.933 1.00 0.00 H new ATOM 0 HG23 THR B 42 -25.650 2.960 3.168 1.00 0.00 H new ATOM 660 N VAL B 43 -26.491 3.922 0.542 1.00 0.00 N ATOM 661 CA VAL B 43 -25.626 4.936 -0.035 1.00 0.00 C ATOM 662 C VAL B 43 -25.555 4.804 -1.557 1.00 0.00 C ATOM 663 O VAL B 43 -25.258 3.730 -2.082 1.00 0.00 O ATOM 664 CB VAL B 43 -24.192 4.850 0.542 1.00 0.00 C ATOM 665 CG1 VAL B 43 -24.156 5.324 1.983 1.00 0.00 C ATOM 666 CG2 VAL B 43 -23.643 3.432 0.441 1.00 0.00 C ATOM 0 H VAL B 43 -26.359 2.990 0.149 1.00 0.00 H new ATOM 0 HA VAL B 43 -26.060 5.902 0.224 1.00 0.00 H new ATOM 0 HB VAL B 43 -23.559 5.507 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -23.137 5.253 2.364 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -24.491 6.360 2.034 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -24.814 4.700 2.588 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -22.635 3.402 0.854 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -24.285 2.753 1.002 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -23.616 3.126 -0.605 1.00 0.00 H new ATOM 676 N PRO B 44 -25.862 5.882 -2.292 1.00 0.00 N ATOM 677 CA PRO B 44 -25.621 5.941 -3.729 1.00 0.00 C ATOM 678 C PRO B 44 -24.140 6.178 -4.010 1.00 0.00 C ATOM 679 O PRO B 44 -23.685 7.319 -4.090 1.00 0.00 O ATOM 680 CB PRO B 44 -26.461 7.137 -4.207 1.00 0.00 C ATOM 681 CG PRO B 44 -27.223 7.615 -3.011 1.00 0.00 C ATOM 682 CD PRO B 44 -26.490 7.111 -1.801 1.00 0.00 C ATOM 0 HA PRO B 44 -25.890 5.015 -4.238 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -25.823 7.927 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -27.139 6.842 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -27.284 8.703 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -28.246 7.239 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -25.751 7.830 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -27.167 6.915 -0.970 1.00 0.00 H new ATOM 690 N ARG B 45 -23.380 5.097 -4.118 1.00 0.00 N ATOM 691 CA ARG B 45 -21.935 5.201 -4.245 1.00 0.00 C ATOM 692 C ARG B 45 -21.394 4.263 -5.305 1.00 0.00 C ATOM 693 O ARG B 45 -22.108 3.400 -5.814 1.00 0.00 O ATOM 694 CB ARG B 45 -21.264 4.919 -2.901 1.00 0.00 C ATOM 695 CG ARG B 45 -21.499 6.030 -1.896 1.00 0.00 C ATOM 696 CD ARG B 45 -20.817 5.774 -0.566 1.00 0.00 C ATOM 697 NE ARG B 45 -20.209 7.004 -0.068 1.00 0.00 N ATOM 698 CZ ARG B 45 -20.732 7.773 0.894 1.00 0.00 C ATOM 699 NH1 ARG B 45 -21.784 7.364 1.588 1.00 0.00 N ATOM 700 NH2 ARG B 45 -20.185 8.948 1.178 1.00 0.00 N ATOM 0 H ARG B 45 -23.739 4.142 -4.120 1.00 0.00 H new ATOM 0 HA ARG B 45 -21.705 6.220 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -21.644 3.981 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -20.192 4.790 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -21.136 6.971 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -22.571 6.146 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -21.542 5.399 0.157 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -20.055 5.004 -0.682 1.00 0.00 H new ATOM 0 HE ARG B 45 -19.324 7.298 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -22.203 6.455 1.391 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -22.175 7.958 2.319 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -19.364 9.266 0.663 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -20.585 9.533 1.912 1.00 0.00 H new ATOM 714 N THR B 46 -20.122 4.441 -5.623 1.00 0.00 N ATOM 715 CA THR B 46 -19.473 3.641 -6.639 1.00 0.00 C ATOM 716 C THR B 46 -18.475 2.678 -5.994 1.00 0.00 C ATOM 717 O THR B 46 -18.392 2.591 -4.766 1.00 0.00 O ATOM 718 CB THR B 46 -18.768 4.538 -7.686 1.00 0.00 C ATOM 719 OG1 THR B 46 -18.317 3.750 -8.800 1.00 0.00 O ATOM 720 CG2 THR B 46 -17.586 5.276 -7.072 1.00 0.00 C ATOM 0 H THR B 46 -19.518 5.138 -5.187 1.00 0.00 H new ATOM 0 HA THR B 46 -20.236 3.060 -7.157 1.00 0.00 H new ATOM 0 HB THR B 46 -19.494 5.273 -8.034 1.00 0.00 H new ATOM 0 HG1 THR B 46 -18.972 3.046 -8.989 1.00 0.00 H new ATOM 0 HG21 THR B 46 -17.111 5.898 -7.831 1.00 0.00 H new ATOM 0 HG22 THR B 46 -17.935 5.906 -6.254 1.00 0.00 H new ATOM 0 HG23 THR B 46 -16.864 4.554 -6.691 1.00 0.00 H new ATOM 728 N ARG B 47 -17.714 1.983 -6.830 1.00 0.00 N ATOM 729 CA ARG B 47 -16.803 0.937 -6.379 1.00 0.00 C ATOM 730 C ARG B 47 -15.737 1.508 -5.451 1.00 0.00 C ATOM 731 O ARG B 47 -15.510 0.999 -4.354 1.00 0.00 O ATOM 732 CB ARG B 47 -16.118 0.268 -7.581 1.00 0.00 C ATOM 733 CG ARG B 47 -17.041 -0.006 -8.765 1.00 0.00 C ATOM 734 CD ARG B 47 -18.323 -0.698 -8.339 1.00 0.00 C ATOM 735 NE ARG B 47 -19.129 -1.111 -9.483 1.00 0.00 N ATOM 736 CZ ARG B 47 -20.450 -1.279 -9.450 1.00 0.00 C ATOM 737 NH1 ARG B 47 -21.141 -0.977 -8.355 1.00 0.00 N ATOM 738 NH2 ARG B 47 -21.081 -1.731 -10.525 1.00 0.00 N ATOM 0 H ARG B 47 -17.710 2.128 -7.840 1.00 0.00 H new ATOM 0 HA ARG B 47 -17.390 0.197 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -15.298 0.903 -7.916 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -15.678 -0.674 -7.254 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -17.284 0.934 -9.260 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -16.520 -0.626 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -18.079 -1.571 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -18.906 -0.026 -7.709 1.00 0.00 H new ATOM 0 HE ARG B 47 -18.649 -1.282 -10.367 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -20.660 -0.614 -7.532 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -22.152 -1.108 -8.338 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -20.555 -1.948 -11.371 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -22.092 -1.862 -10.505 1.00 0.00 H new ATOM 752 N LYS B 48 -15.114 2.586 -5.908 1.00 0.00 N ATOM 753 CA LYS B 48 -13.999 3.219 -5.209 1.00 0.00 C ATOM 754 C LYS B 48 -14.358 3.585 -3.766 1.00 0.00 C ATOM 755 O LYS B 48 -13.538 3.441 -2.854 1.00 0.00 O ATOM 756 CB LYS B 48 -13.593 4.480 -5.972 1.00 0.00 C ATOM 757 CG LYS B 48 -12.385 5.196 -5.392 1.00 0.00 C ATOM 758 CD LYS B 48 -12.232 6.590 -5.977 1.00 0.00 C ATOM 759 CE LYS B 48 -13.360 7.507 -5.526 1.00 0.00 C ATOM 760 NZ LYS B 48 -13.260 8.858 -6.138 1.00 0.00 N ATOM 0 H LYS B 48 -15.368 3.050 -6.780 1.00 0.00 H new ATOM 0 HA LYS B 48 -13.173 2.508 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -13.381 4.212 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -14.437 5.169 -5.988 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -12.486 5.264 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -11.485 4.615 -5.593 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -11.274 7.011 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -12.222 6.531 -7.065 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -14.318 7.060 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -13.340 7.599 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -14.047 9.450 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -12.357 9.297 -5.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -13.305 8.774 -7.174 1.00 0.00 H new ATOM 774 N GLN B 49 -15.586 4.051 -3.576 1.00 0.00 N ATOM 775 CA GLN B 49 -16.053 4.530 -2.278 1.00 0.00 C ATOM 776 C GLN B 49 -15.914 3.468 -1.198 1.00 0.00 C ATOM 777 O GLN B 49 -15.179 3.649 -0.228 1.00 0.00 O ATOM 778 CB GLN B 49 -17.518 4.958 -2.369 1.00 0.00 C ATOM 779 CG GLN B 49 -17.735 6.455 -2.528 1.00 0.00 C ATOM 780 CD GLN B 49 -17.295 7.008 -3.872 1.00 0.00 C ATOM 781 OE1 GLN B 49 -16.356 6.518 -4.491 1.00 0.00 O ATOM 782 NE2 GLN B 49 -17.986 8.038 -4.327 1.00 0.00 N ATOM 0 H GLN B 49 -16.287 4.108 -4.315 1.00 0.00 H new ATOM 0 HA GLN B 49 -15.429 5.381 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -17.980 4.446 -3.213 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -18.037 4.623 -1.471 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -18.793 6.675 -2.386 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -17.193 6.975 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -18.760 8.415 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -17.746 8.457 -5.226 1.00 0.00 H new ATOM 791 N ILE B 50 -16.621 2.363 -1.379 1.00 0.00 N ATOM 792 CA ILE B 50 -16.648 1.295 -0.389 1.00 0.00 C ATOM 793 C ILE B 50 -15.247 0.739 -0.142 1.00 0.00 C ATOM 794 O ILE B 50 -14.814 0.610 1.006 1.00 0.00 O ATOM 795 CB ILE B 50 -17.599 0.156 -0.827 1.00 0.00 C ATOM 796 CG1 ILE B 50 -19.065 0.518 -0.534 1.00 0.00 C ATOM 797 CG2 ILE B 50 -17.231 -1.170 -0.172 1.00 0.00 C ATOM 798 CD1 ILE B 50 -19.728 1.390 -1.587 1.00 0.00 C ATOM 0 H ILE B 50 -17.187 2.181 -2.208 1.00 0.00 H new ATOM 0 HA ILE B 50 -17.021 1.722 0.542 1.00 0.00 H new ATOM 0 HB ILE B 50 -17.483 0.035 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -19.639 -0.403 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -19.113 1.032 0.426 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -17.922 -1.944 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -16.215 -1.445 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -17.293 -1.070 0.912 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -20.758 1.593 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -19.184 2.330 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -19.718 0.873 -2.547 1.00 0.00 H new ATOM 810 N ILE B 51 -14.542 0.451 -1.231 1.00 0.00 N ATOM 811 CA ILE B 51 -13.198 -0.126 -1.168 1.00 0.00 C ATOM 812 C ILE B 51 -12.279 0.703 -0.295 1.00 0.00 C ATOM 813 O ILE B 51 -11.631 0.189 0.618 1.00 0.00 O ATOM 814 CB ILE B 51 -12.566 -0.209 -2.569 1.00 0.00 C ATOM 815 CG1 ILE B 51 -13.369 -1.160 -3.451 1.00 0.00 C ATOM 816 CG2 ILE B 51 -11.101 -0.644 -2.483 1.00 0.00 C ATOM 817 CD1 ILE B 51 -13.004 -1.069 -4.910 1.00 0.00 C ATOM 0 H ILE B 51 -14.882 0.609 -2.180 1.00 0.00 H new ATOM 0 HA ILE B 51 -13.310 -1.124 -0.744 1.00 0.00 H new ATOM 0 HB ILE B 51 -12.589 0.783 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -13.213 -2.183 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -14.431 -0.943 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -10.677 -0.695 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -10.541 0.078 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -11.040 -1.626 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -13.611 -1.771 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -13.186 -0.056 -5.268 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -11.950 -1.314 -5.037 1.00 0.00 H new ATOM 829 N HIS B 52 -12.235 1.988 -0.586 1.00 0.00 N ATOM 830 CA HIS B 52 -11.317 2.884 0.080 1.00 0.00 C ATOM 831 C HIS B 52 -11.502 2.867 1.591 1.00 0.00 C ATOM 832 O HIS B 52 -10.531 2.778 2.319 1.00 0.00 O ATOM 833 CB HIS B 52 -11.453 4.299 -0.478 1.00 0.00 C ATOM 834 CG HIS B 52 -10.494 4.588 -1.595 1.00 0.00 C ATOM 835 ND1 HIS B 52 -9.720 5.726 -1.630 1.00 0.00 N ATOM 836 CD2 HIS B 52 -10.165 3.877 -2.711 1.00 0.00 C ATOM 837 CE1 HIS B 52 -8.959 5.708 -2.705 1.00 0.00 C ATOM 838 NE2 HIS B 52 -9.209 4.603 -3.377 1.00 0.00 N ATOM 0 H HIS B 52 -12.829 2.435 -1.284 1.00 0.00 H new ATOM 0 HA HIS B 52 -10.305 2.530 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS B 52 -12.472 4.445 -0.836 1.00 0.00 H new ATOM 0 HB3 HIS B 52 -11.291 5.017 0.326 1.00 0.00 H new ATOM 0 HD2 HIS B 52 -10.577 2.926 -3.013 1.00 0.00 H new ATOM 0 HE1 HIS B 52 -8.249 6.471 -2.988 1.00 0.00 H new ATOM 0 HE2 HIS B 52 -8.763 4.330 -4.253 1.00 0.00 H new ATOM 847 N HIS B 53 -12.738 2.896 2.065 1.00 0.00 N ATOM 848 CA HIS B 53 -12.983 2.958 3.507 1.00 0.00 C ATOM 849 C HIS B 53 -12.640 1.634 4.176 1.00 0.00 C ATOM 850 O HIS B 53 -12.357 1.589 5.365 1.00 0.00 O ATOM 851 CB HIS B 53 -14.432 3.334 3.806 1.00 0.00 C ATOM 852 CG HIS B 53 -14.868 4.580 3.113 1.00 0.00 C ATOM 853 ND1 HIS B 53 -14.123 5.738 3.107 1.00 0.00 N ATOM 854 CD2 HIS B 53 -15.941 4.818 2.337 1.00 0.00 C ATOM 855 CE1 HIS B 53 -14.717 6.635 2.345 1.00 0.00 C ATOM 856 NE2 HIS B 53 -15.823 6.102 1.866 1.00 0.00 N ATOM 0 H HIS B 53 -13.578 2.878 1.487 1.00 0.00 H new ATOM 0 HA HIS B 53 -12.335 3.734 3.914 1.00 0.00 H new ATOM 0 HB2 HIS B 53 -15.083 2.512 3.507 1.00 0.00 H new ATOM 0 HB3 HIS B 53 -14.553 3.462 4.882 1.00 0.00 H new ATOM 0 HD1 HIS B 53 -13.249 5.880 3.613 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -16.744 4.128 2.125 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -14.359 7.635 2.147 1.00 0.00 H new ATOM 865 N LEU B 54 -12.648 0.564 3.400 1.00 0.00 N ATOM 866 CA LEU B 54 -12.324 -0.758 3.920 1.00 0.00 C ATOM 867 C LEU B 54 -10.825 -0.875 4.150 1.00 0.00 C ATOM 868 O LEU B 54 -10.374 -1.294 5.218 1.00 0.00 O ATOM 869 CB LEU B 54 -12.792 -1.849 2.954 1.00 0.00 C ATOM 870 CG LEU B 54 -14.306 -2.061 2.880 1.00 0.00 C ATOM 871 CD1 LEU B 54 -14.648 -2.967 1.708 1.00 0.00 C ATOM 872 CD2 LEU B 54 -14.837 -2.658 4.183 1.00 0.00 C ATOM 0 H LEU B 54 -12.875 0.582 2.406 1.00 0.00 H new ATOM 0 HA LEU B 54 -12.843 -0.891 4.869 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.428 -1.606 1.956 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -12.325 -2.790 3.243 1.00 0.00 H new ATOM 0 HG LEU B 54 -14.782 -1.092 2.731 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.727 -3.112 1.663 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -14.305 -2.508 0.781 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -14.157 -3.932 1.838 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -15.915 -2.799 4.106 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -14.357 -3.620 4.365 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -14.618 -1.981 5.009 1.00 0.00 H new ATOM 884 N VAL B 55 -10.056 -0.481 3.146 1.00 0.00 N ATOM 885 CA VAL B 55 -8.607 -0.543 3.229 1.00 0.00 C ATOM 886 C VAL B 55 -8.084 0.557 4.147 1.00 0.00 C ATOM 887 O VAL B 55 -7.027 0.426 4.761 1.00 0.00 O ATOM 888 CB VAL B 55 -7.957 -0.432 1.830 1.00 0.00 C ATOM 889 CG1 VAL B 55 -8.592 -1.436 0.882 1.00 0.00 C ATOM 890 CG2 VAL B 55 -8.071 0.975 1.264 1.00 0.00 C ATOM 0 H VAL B 55 -10.413 -0.115 2.264 1.00 0.00 H new ATOM 0 HA VAL B 55 -8.335 -1.513 3.646 1.00 0.00 H new ATOM 0 HB VAL B 55 -6.896 -0.656 1.936 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -8.129 -1.352 -0.101 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -8.444 -2.445 1.268 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -9.660 -1.233 0.799 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -7.602 1.011 0.281 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -9.123 1.247 1.175 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -7.570 1.677 1.930 1.00 0.00 H new ATOM 900 N GLN B 56 -8.856 1.628 4.253 1.00 0.00 N ATOM 901 CA GLN B 56 -8.516 2.741 5.121 1.00 0.00 C ATOM 902 C GLN B 56 -8.874 2.434 6.569 1.00 0.00 C ATOM 903 O GLN B 56 -8.271 2.980 7.493 1.00 0.00 O ATOM 904 CB GLN B 56 -9.237 4.007 4.655 1.00 0.00 C ATOM 905 CG GLN B 56 -8.571 4.701 3.473 1.00 0.00 C ATOM 906 CD GLN B 56 -9.352 5.908 2.997 1.00 0.00 C ATOM 907 OE1 GLN B 56 -10.020 6.584 3.779 1.00 0.00 O ATOM 908 NE2 GLN B 56 -9.293 6.175 1.704 1.00 0.00 N ATOM 0 H GLN B 56 -9.731 1.748 3.742 1.00 0.00 H new ATOM 0 HA GLN B 56 -7.439 2.902 5.066 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -10.261 3.750 4.382 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -9.295 4.707 5.488 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -7.565 5.011 3.757 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -8.466 3.993 2.651 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -8.728 5.591 1.088 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -9.813 6.965 1.322 1.00 0.00 H new ATOM 917 N MET B 57 -9.841 1.546 6.769 1.00 0.00 N ATOM 918 CA MET B 57 -10.282 1.191 8.114 1.00 0.00 C ATOM 919 C MET B 57 -9.315 0.195 8.745 1.00 0.00 C ATOM 920 O MET B 57 -9.411 -0.124 9.929 1.00 0.00 O ATOM 921 CB MET B 57 -11.693 0.602 8.080 1.00 0.00 C ATOM 922 CG MET B 57 -12.452 0.747 9.391 1.00 0.00 C ATOM 923 SD MET B 57 -14.093 -0.010 9.337 1.00 0.00 S ATOM 924 CE MET B 57 -14.780 0.730 7.853 1.00 0.00 C ATOM 0 H MET B 57 -10.334 1.060 6.020 1.00 0.00 H new ATOM 0 HA MET B 57 -10.298 2.098 8.719 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.261 1.089 7.287 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.629 -0.455 7.823 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.873 0.291 10.194 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.553 1.805 9.632 1.00 0.00 H new ATOM 0 HE1 MET B 57 -15.868 0.732 7.917 1.00 0.00 H new ATOM 0 HE2 MET B 57 -14.421 1.755 7.758 1.00 0.00 H new ATOM 0 HE3 MET B 57 -14.469 0.154 6.982 1.00 0.00 H new ATOM 934 N GLY B 58 -8.391 -0.304 7.935 1.00 0.00 N ATOM 935 CA GLY B 58 -7.376 -1.211 8.435 1.00 0.00 C ATOM 936 C GLY B 58 -7.831 -2.652 8.437 1.00 0.00 C ATOM 937 O GLY B 58 -7.082 -3.545 8.825 1.00 0.00 O ATOM 0 H GLY B 58 -8.326 -0.097 6.938 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -6.479 -1.119 7.823 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -7.102 -0.920 9.449 1.00 0.00 H new ATOM 941 N LEU B 59 -9.062 -2.882 8.001 1.00 0.00 N ATOM 942 CA LEU B 59 -9.607 -4.234 7.955 1.00 0.00 C ATOM 943 C LEU B 59 -9.241 -4.901 6.636 1.00 0.00 C ATOM 944 O LEU B 59 -9.272 -6.126 6.508 1.00 0.00 O ATOM 945 CB LEU B 59 -11.126 -4.219 8.182 1.00 0.00 C ATOM 946 CG LEU B 59 -11.942 -3.352 7.221 1.00 0.00 C ATOM 947 CD1 LEU B 59 -12.199 -4.080 5.915 1.00 0.00 C ATOM 948 CD2 LEU B 59 -13.252 -2.946 7.865 1.00 0.00 C ATOM 0 H LEU B 59 -9.700 -2.155 7.676 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.167 -4.820 8.762 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -11.493 -5.243 8.116 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -11.317 -3.877 9.199 1.00 0.00 H new ATOM 0 HG LEU B 59 -11.365 -2.454 6.999 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -12.781 -3.441 5.251 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.248 -4.325 5.442 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -12.753 -4.998 6.113 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -13.823 -2.329 7.171 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -13.826 -3.838 8.115 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -13.050 -2.378 8.773 1.00 0.00 H new ATOM 960 N ALA B 60 -8.900 -4.075 5.659 1.00 0.00 N ATOM 961 CA ALA B 60 -8.411 -4.556 4.377 1.00 0.00 C ATOM 962 C ALA B 60 -7.026 -3.990 4.117 1.00 0.00 C ATOM 963 O ALA B 60 -6.568 -3.105 4.844 1.00 0.00 O ATOM 964 CB ALA B 60 -9.361 -4.175 3.255 1.00 0.00 C ATOM 0 H ALA B 60 -8.954 -3.059 5.732 1.00 0.00 H new ATOM 0 HA ALA B 60 -8.354 -5.644 4.409 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -8.972 -4.547 2.307 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -10.341 -4.615 3.443 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -9.453 -3.090 3.209 1.00 0.00 H new ATOM 970 N ASP B 61 -6.356 -4.492 3.092 1.00 0.00 N ATOM 971 CA ASP B 61 -5.005 -4.042 2.798 1.00 0.00 C ATOM 972 C ASP B 61 -5.011 -2.829 1.878 1.00 0.00 C ATOM 973 O ASP B 61 -4.632 -1.734 2.286 1.00 0.00 O ATOM 974 CB ASP B 61 -4.169 -5.159 2.177 1.00 0.00 C ATOM 975 CG ASP B 61 -2.728 -4.734 1.973 1.00 0.00 C ATOM 976 OD1 ASP B 61 -2.013 -4.540 2.978 1.00 0.00 O ATOM 977 OD2 ASP B 61 -2.300 -4.597 0.807 1.00 0.00 O ATOM 0 H ASP B 61 -6.720 -5.202 2.457 1.00 0.00 H new ATOM 0 HA ASP B 61 -4.552 -3.755 3.747 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -4.201 -6.038 2.820 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -4.602 -5.448 1.219 1.00 0.00 H new ATOM 982 N SER B 62 -5.460 -3.011 0.643 1.00 0.00 N ATOM 983 CA SER B 62 -5.396 -1.935 -0.332 1.00 0.00 C ATOM 984 C SER B 62 -6.360 -2.170 -1.491 1.00 0.00 C ATOM 985 O SER B 62 -6.976 -3.231 -1.603 1.00 0.00 O ATOM 986 CB SER B 62 -3.973 -1.816 -0.870 1.00 0.00 C ATOM 987 OG SER B 62 -3.797 -0.623 -1.613 1.00 0.00 O ATOM 0 H SER B 62 -5.866 -3.881 0.298 1.00 0.00 H new ATOM 0 HA SER B 62 -5.687 -1.011 0.168 1.00 0.00 H new ATOM 0 HB2 SER B 62 -3.266 -1.837 -0.040 1.00 0.00 H new ATOM 0 HB3 SER B 62 -3.749 -2.676 -1.501 1.00 0.00 H new ATOM 0 HG SER B 62 -2.875 -0.576 -1.942 1.00 0.00 H new ATOM 993 N VAL B 63 -6.446 -1.171 -2.361 1.00 0.00 N ATOM 994 CA VAL B 63 -7.297 -1.215 -3.545 1.00 0.00 C ATOM 995 C VAL B 63 -6.850 -2.336 -4.474 1.00 0.00 C ATOM 996 O VAL B 63 -7.636 -2.883 -5.247 1.00 0.00 O ATOM 997 CB VAL B 63 -7.238 0.135 -4.297 1.00 0.00 C ATOM 998 CG1 VAL B 63 -7.968 0.063 -5.631 1.00 0.00 C ATOM 999 CG2 VAL B 63 -7.808 1.250 -3.435 1.00 0.00 C ATOM 0 H VAL B 63 -5.923 -0.301 -2.264 1.00 0.00 H new ATOM 0 HA VAL B 63 -8.322 -1.402 -3.226 1.00 0.00 H new ATOM 0 HB VAL B 63 -6.191 0.354 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -7.906 1.029 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -7.507 -0.701 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -9.014 -0.191 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -7.758 2.193 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -8.846 1.026 -3.191 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -7.228 1.332 -2.516 1.00 0.00 H new ATOM 1009 N LYS B 64 -5.581 -2.688 -4.360 1.00 0.00 N ATOM 1010 CA LYS B 64 -4.980 -3.718 -5.192 1.00 0.00 C ATOM 1011 C LYS B 64 -5.664 -5.068 -5.004 1.00 0.00 C ATOM 1012 O LYS B 64 -5.649 -5.917 -5.898 1.00 0.00 O ATOM 1013 CB LYS B 64 -3.500 -3.840 -4.861 1.00 0.00 C ATOM 1014 CG LYS B 64 -2.724 -2.548 -5.061 1.00 0.00 C ATOM 1015 CD LYS B 64 -1.236 -2.739 -4.800 1.00 0.00 C ATOM 1016 CE LYS B 64 -0.963 -3.172 -3.365 1.00 0.00 C ATOM 1017 NZ LYS B 64 0.484 -3.405 -3.118 1.00 0.00 N ATOM 0 H LYS B 64 -4.938 -2.269 -3.689 1.00 0.00 H new ATOM 0 HA LYS B 64 -5.107 -3.425 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -3.393 -4.162 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -3.060 -4.619 -5.484 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -2.872 -2.189 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -3.115 -1.781 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -0.840 -3.487 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -0.709 -1.807 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -1.329 -2.407 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -1.519 -4.085 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 0.625 -3.698 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 0.829 -4.153 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 1.013 -2.528 -3.298 1.00 0.00 H new ATOM 1031 N ASP B 65 -6.263 -5.257 -3.841 1.00 0.00 N ATOM 1032 CA ASP B 65 -6.918 -6.513 -3.510 1.00 0.00 C ATOM 1033 C ASP B 65 -8.383 -6.496 -3.956 1.00 0.00 C ATOM 1034 O ASP B 65 -9.071 -7.518 -3.929 1.00 0.00 O ATOM 1035 CB ASP B 65 -6.805 -6.755 -2.001 1.00 0.00 C ATOM 1036 CG ASP B 65 -7.290 -8.129 -1.578 1.00 0.00 C ATOM 1037 OD1 ASP B 65 -8.229 -8.208 -0.761 1.00 0.00 O ATOM 1038 OD2 ASP B 65 -6.723 -9.137 -2.055 1.00 0.00 O ATOM 0 H ASP B 65 -6.310 -4.552 -3.105 1.00 0.00 H new ATOM 0 HA ASP B 65 -6.426 -7.328 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -5.765 -6.634 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -7.381 -5.995 -1.474 1.00 0.00 H new ATOM 1043 N PHE B 66 -8.844 -5.327 -4.393 1.00 0.00 N ATOM 1044 CA PHE B 66 -10.243 -5.142 -4.770 1.00 0.00 C ATOM 1045 C PHE B 66 -10.403 -4.868 -6.263 1.00 0.00 C ATOM 1046 O PHE B 66 -11.273 -5.443 -6.917 1.00 0.00 O ATOM 1047 CB PHE B 66 -10.854 -3.971 -3.993 1.00 0.00 C ATOM 1048 CG PHE B 66 -11.036 -4.215 -2.520 1.00 0.00 C ATOM 1049 CD1 PHE B 66 -9.943 -4.306 -1.675 1.00 0.00 C ATOM 1050 CD2 PHE B 66 -12.305 -4.326 -1.977 1.00 0.00 C ATOM 1051 CE1 PHE B 66 -10.111 -4.506 -0.321 1.00 0.00 C ATOM 1052 CE2 PHE B 66 -12.480 -4.531 -0.623 1.00 0.00 C ATOM 1053 CZ PHE B 66 -11.382 -4.619 0.208 1.00 0.00 C ATOM 0 H PHE B 66 -8.268 -4.492 -4.495 1.00 0.00 H new ATOM 0 HA PHE B 66 -10.759 -6.071 -4.528 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -10.219 -3.095 -4.126 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -11.824 -3.731 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -8.946 -4.219 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -13.169 -4.251 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -9.249 -4.574 0.326 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -13.476 -4.622 -0.215 1.00 0.00 H new ATOM 0 HZ PHE B 66 -11.516 -4.776 1.268 1.00 0.00 H new ATOM 1184 N VAL B 74 2.215 7.964 -7.772 1.00 0.00 N ATOM 1185 CA VAL B 74 2.484 9.325 -8.181 1.00 0.00 C ATOM 1186 C VAL B 74 3.069 9.327 -9.584 1.00 0.00 C ATOM 1187 O VAL B 74 3.815 8.428 -9.947 1.00 0.00 O ATOM 1188 CB VAL B 74 3.452 10.017 -7.177 1.00 0.00 C ATOM 1189 CG1 VAL B 74 4.531 9.052 -6.706 1.00 0.00 C ATOM 1190 CG2 VAL B 74 4.095 11.255 -7.781 1.00 0.00 C ATOM 0 HA VAL B 74 1.551 9.888 -8.186 1.00 0.00 H new ATOM 0 HB VAL B 74 2.855 10.326 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL B 74 5.194 9.561 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL B 74 4.066 8.199 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL B 74 5.107 8.704 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL B 74 4.764 11.711 -7.051 1.00 0.00 H new ATOM 0 HG22 VAL B 74 4.663 10.974 -8.668 1.00 0.00 H new ATOM 0 HG23 VAL B 74 3.320 11.969 -8.058 1.00 0.00 H new ATOM 1200 N LEU B 75 2.688 10.321 -10.362 1.00 0.00 N ATOM 1201 CA LEU B 75 3.102 10.440 -11.752 1.00 0.00 C ATOM 1202 C LEU B 75 4.616 10.266 -11.939 1.00 0.00 C ATOM 1203 O LEU B 75 5.399 11.188 -11.728 1.00 0.00 O ATOM 1204 CB LEU B 75 2.638 11.802 -12.276 1.00 0.00 C ATOM 1205 CG LEU B 75 2.793 12.960 -11.279 1.00 0.00 C ATOM 1206 CD1 LEU B 75 3.995 13.829 -11.628 1.00 0.00 C ATOM 1207 CD2 LEU B 75 1.522 13.797 -11.231 1.00 0.00 C ATOM 0 H LEU B 75 2.078 11.076 -10.048 1.00 0.00 H new ATOM 0 HA LEU B 75 2.639 9.634 -12.322 1.00 0.00 H new ATOM 0 HB2 LEU B 75 3.201 12.040 -13.179 1.00 0.00 H new ATOM 0 HB3 LEU B 75 1.590 11.727 -12.565 1.00 0.00 H new ATOM 0 HG LEU B 75 2.964 12.533 -10.291 1.00 0.00 H new ATOM 0 HD11 LEU B 75 4.080 14.640 -10.905 1.00 0.00 H new ATOM 0 HD12 LEU B 75 4.901 13.224 -11.602 1.00 0.00 H new ATOM 0 HD13 LEU B 75 3.865 14.245 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU B 75 1.650 14.613 -10.519 1.00 0.00 H new ATOM 0 HD22 LEU B 75 1.319 14.207 -12.220 1.00 0.00 H new ATOM 0 HD23 LEU B 75 0.686 13.171 -10.919 1.00 0.00 H new ATOM 1219 N TRP B 76 5.020 9.060 -12.319 1.00 0.00 N ATOM 1220 CA TRP B 76 6.418 8.782 -12.599 1.00 0.00 C ATOM 1221 C TRP B 76 6.662 8.749 -14.100 1.00 0.00 C ATOM 1222 O TRP B 76 6.213 7.838 -14.800 1.00 0.00 O ATOM 1223 CB TRP B 76 6.860 7.458 -11.963 1.00 0.00 C ATOM 1224 CG TRP B 76 7.082 7.543 -10.481 1.00 0.00 C ATOM 1225 CD1 TRP B 76 6.267 7.070 -9.506 1.00 0.00 C ATOM 1226 CD2 TRP B 76 8.197 8.136 -9.815 1.00 0.00 C ATOM 1227 NE1 TRP B 76 6.802 7.329 -8.269 1.00 0.00 N ATOM 1228 CE2 TRP B 76 7.987 7.984 -8.431 1.00 0.00 C ATOM 1229 CE3 TRP B 76 9.353 8.777 -10.253 1.00 0.00 C ATOM 1230 CZ2 TRP B 76 8.887 8.457 -7.485 1.00 0.00 C ATOM 1231 CZ3 TRP B 76 10.246 9.245 -9.313 1.00 0.00 C ATOM 1232 CH2 TRP B 76 10.010 9.081 -7.942 1.00 0.00 C ATOM 0 H TRP B 76 4.398 8.261 -12.440 1.00 0.00 H new ATOM 0 HA TRP B 76 7.012 9.584 -12.160 1.00 0.00 H new ATOM 0 HB2 TRP B 76 6.105 6.699 -12.165 1.00 0.00 H new ATOM 0 HB3 TRP B 76 7.782 7.126 -12.441 1.00 0.00 H new ATOM 0 HD1 TRP B 76 5.330 6.562 -9.678 1.00 0.00 H new ATOM 0 HE1 TRP B 76 6.382 7.074 -7.375 1.00 0.00 H new ATOM 0 HE3 TRP B 76 9.546 8.905 -11.308 1.00 0.00 H new ATOM 0 HZ2 TRP B 76 8.704 8.335 -6.428 1.00 0.00 H new ATOM 0 HZ3 TRP B 76 11.144 9.748 -9.640 1.00 0.00 H new ATOM 0 HH2 TRP B 76 10.732 9.457 -7.232 1.00 0.00 H new ATOM 1243 N THR B 77 7.364 9.759 -14.586 1.00 0.00 N ATOM 1244 CA THR B 77 7.689 9.869 -15.995 1.00 0.00 C ATOM 1245 C THR B 77 9.181 9.636 -16.197 1.00 0.00 C ATOM 1246 O THR B 77 9.901 9.378 -15.232 1.00 0.00 O ATOM 1247 CB THR B 77 7.314 11.263 -16.533 1.00 0.00 C ATOM 1248 OG1 THR B 77 8.084 12.266 -15.857 1.00 0.00 O ATOM 1249 CG2 THR B 77 5.832 11.546 -16.329 1.00 0.00 C ATOM 0 H THR B 77 7.723 10.524 -14.015 1.00 0.00 H new ATOM 0 HA THR B 77 7.119 9.116 -16.540 1.00 0.00 H new ATOM 0 HB THR B 77 7.530 11.285 -17.601 1.00 0.00 H new ATOM 0 HG1 THR B 77 8.404 12.926 -16.507 1.00 0.00 H new ATOM 0 HG21 THR B 77 5.594 12.536 -16.717 1.00 0.00 H new ATOM 0 HG22 THR B 77 5.242 10.797 -16.858 1.00 0.00 H new ATOM 0 HG23 THR B 77 5.597 11.507 -15.265 1.00 0.00 H new ATOM 1257 N GLY B 78 9.645 9.739 -17.438 1.00 0.00 N ATOM 1258 CA GLY B 78 11.061 9.593 -17.717 1.00 0.00 C ATOM 1259 C GLY B 78 11.896 10.625 -16.981 1.00 0.00 C ATOM 1260 O GLY B 78 12.968 10.315 -16.455 1.00 0.00 O ATOM 0 H GLY B 78 9.064 9.921 -18.257 1.00 0.00 H new ATOM 0 HA2 GLY B 78 11.386 8.593 -17.430 1.00 0.00 H new ATOM 0 HA3 GLY B 78 11.231 9.688 -18.790 1.00 0.00 H new ATOM 1264 N ASP B 79 11.389 11.851 -16.926 1.00 0.00 N ATOM 1265 CA ASP B 79 12.083 12.938 -16.242 1.00 0.00 C ATOM 1266 C ASP B 79 11.847 12.877 -14.734 1.00 0.00 C ATOM 1267 O ASP B 79 12.780 13.064 -13.955 1.00 0.00 O ATOM 1268 CB ASP B 79 11.647 14.303 -16.791 1.00 0.00 C ATOM 1269 CG ASP B 79 10.160 14.561 -16.645 1.00 0.00 C ATOM 1270 OD1 ASP B 79 9.388 14.124 -17.527 1.00 0.00 O ATOM 1271 OD2 ASP B 79 9.753 15.200 -15.655 1.00 0.00 O ATOM 0 H ASP B 79 10.499 12.118 -17.347 1.00 0.00 H new ATOM 0 HA ASP B 79 13.150 12.815 -16.430 1.00 0.00 H new ATOM 0 HB2 ASP B 79 12.198 15.088 -16.273 1.00 0.00 H new ATOM 0 HB3 ASP B 79 11.918 14.366 -17.845 1.00 0.00 H new ATOM 1276 N GLN B 80 10.607 12.596 -14.325 1.00 0.00 N ATOM 1277 CA GLN B 80 10.266 12.499 -12.905 1.00 0.00 C ATOM 1278 C GLN B 80 11.102 11.406 -12.244 1.00 0.00 C ATOM 1279 O GLN B 80 11.473 11.511 -11.073 1.00 0.00 O ATOM 1280 CB GLN B 80 8.764 12.217 -12.746 1.00 0.00 C ATOM 1281 CG GLN B 80 8.050 13.180 -11.802 1.00 0.00 C ATOM 1282 CD GLN B 80 8.053 12.731 -10.350 1.00 0.00 C ATOM 1283 OE1 GLN B 80 8.169 13.551 -9.439 1.00 0.00 O ATOM 1284 NE2 GLN B 80 7.858 11.444 -10.113 1.00 0.00 N ATOM 0 H GLN B 80 9.824 12.432 -14.957 1.00 0.00 H new ATOM 0 HA GLN B 80 10.490 13.445 -12.412 1.00 0.00 H new ATOM 0 HB2 GLN B 80 8.290 12.266 -13.726 1.00 0.00 H new ATOM 0 HB3 GLN B 80 8.632 11.199 -12.379 1.00 0.00 H new ATOM 0 HG2 GLN B 80 8.524 14.159 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN B 80 7.019 13.301 -12.133 1.00 0.00 H new ATOM 0 HE21 GLN B 80 7.766 10.790 -10.891 1.00 0.00 H new ATOM 0 HE22 GLN B 80 7.800 11.105 -9.153 1.00 0.00 H new ATOM 1293 N GLU B 81 11.406 10.373 -13.024 1.00 0.00 N ATOM 1294 CA GLU B 81 12.263 9.284 -12.580 1.00 0.00 C ATOM 1295 C GLU B 81 13.680 9.792 -12.319 1.00 0.00 C ATOM 1296 O GLU B 81 14.246 9.570 -11.249 1.00 0.00 O ATOM 1297 CB GLU B 81 12.312 8.196 -13.651 1.00 0.00 C ATOM 1298 CG GLU B 81 12.741 6.840 -13.124 1.00 0.00 C ATOM 1299 CD GLU B 81 11.613 6.122 -12.422 1.00 0.00 C ATOM 1300 OE1 GLU B 81 10.918 5.321 -13.083 1.00 0.00 O ATOM 1301 OE2 GLU B 81 11.402 6.358 -11.216 1.00 0.00 O ATOM 0 H GLU B 81 11.065 10.269 -13.980 1.00 0.00 H new ATOM 0 HA GLU B 81 11.853 8.876 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU B 81 11.326 8.103 -14.107 1.00 0.00 H new ATOM 0 HB3 GLU B 81 13.000 8.504 -14.438 1.00 0.00 H new ATOM 0 HG2 GLU B 81 13.102 6.228 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU B 81 13.575 6.967 -12.434 1.00 0.00 H new ATOM 1308 N LEU B 82 14.237 10.486 -13.307 1.00 0.00 N ATOM 1309 CA LEU B 82 15.595 11.009 -13.217 1.00 0.00 C ATOM 1310 C LEU B 82 15.728 11.983 -12.056 1.00 0.00 C ATOM 1311 O LEU B 82 16.732 11.978 -11.336 1.00 0.00 O ATOM 1312 CB LEU B 82 15.986 11.716 -14.512 1.00 0.00 C ATOM 1313 CG LEU B 82 17.387 12.328 -14.507 1.00 0.00 C ATOM 1314 CD1 LEU B 82 18.449 11.244 -14.586 1.00 0.00 C ATOM 1315 CD2 LEU B 82 17.540 13.325 -15.639 1.00 0.00 C ATOM 0 H LEU B 82 13.764 10.700 -14.185 1.00 0.00 H new ATOM 0 HA LEU B 82 16.262 10.163 -13.050 1.00 0.00 H new ATOM 0 HB2 LEU B 82 15.918 11.003 -15.334 1.00 0.00 H new ATOM 0 HB3 LEU B 82 15.261 12.504 -14.713 1.00 0.00 H new ATOM 0 HG LEU B 82 17.524 12.863 -13.567 1.00 0.00 H new ATOM 0 HD11 LEU B 82 19.438 11.702 -14.581 1.00 0.00 H new ATOM 0 HD12 LEU B 82 18.354 10.578 -13.728 1.00 0.00 H new ATOM 0 HD13 LEU B 82 18.318 10.673 -15.505 1.00 0.00 H new ATOM 0 HD21 LEU B 82 18.544 13.749 -15.617 1.00 0.00 H new ATOM 0 HD22 LEU B 82 17.379 12.821 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU B 82 16.807 14.123 -15.523 1.00 0.00 H new ATOM 1327 N GLU B 83 14.710 12.819 -11.883 1.00 0.00 N ATOM 1328 CA GLU B 83 14.694 13.799 -10.806 1.00 0.00 C ATOM 1329 C GLU B 83 14.800 13.115 -9.448 1.00 0.00 C ATOM 1330 O GLU B 83 15.342 13.680 -8.502 1.00 0.00 O ATOM 1331 CB GLU B 83 13.422 14.647 -10.875 1.00 0.00 C ATOM 1332 CG GLU B 83 13.364 15.557 -12.095 1.00 0.00 C ATOM 1333 CD GLU B 83 14.363 16.697 -12.027 1.00 0.00 C ATOM 1334 OE1 GLU B 83 15.577 16.434 -11.900 1.00 0.00 O ATOM 1335 OE2 GLU B 83 13.935 17.869 -12.112 1.00 0.00 O ATOM 0 H GLU B 83 13.882 12.836 -12.478 1.00 0.00 H new ATOM 0 HA GLU B 83 15.558 14.452 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU B 83 12.555 13.987 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU B 83 13.351 15.256 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU B 83 13.553 14.967 -12.992 1.00 0.00 H new ATOM 0 HG3 GLU B 83 12.358 15.967 -12.189 1.00 0.00 H new ATOM 1342 N LEU B 84 14.283 11.897 -9.357 1.00 0.00 N ATOM 1343 CA LEU B 84 14.411 11.105 -8.142 1.00 0.00 C ATOM 1344 C LEU B 84 15.838 10.584 -8.001 1.00 0.00 C ATOM 1345 O LEU B 84 16.433 10.674 -6.928 1.00 0.00 O ATOM 1346 CB LEU B 84 13.398 9.947 -8.169 1.00 0.00 C ATOM 1347 CG LEU B 84 13.366 9.007 -6.948 1.00 0.00 C ATOM 1348 CD1 LEU B 84 14.477 7.971 -7.015 1.00 0.00 C ATOM 1349 CD2 LEU B 84 13.453 9.794 -5.647 1.00 0.00 C ATOM 0 H LEU B 84 13.771 11.436 -10.110 1.00 0.00 H new ATOM 0 HA LEU B 84 14.196 11.732 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU B 84 12.402 10.373 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU B 84 13.599 9.343 -9.054 1.00 0.00 H new ATOM 0 HG LEU B 84 12.411 8.481 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU B 84 14.425 7.325 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU B 84 14.360 7.370 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU B 84 15.443 8.475 -7.038 1.00 0.00 H new ATOM 0 HD21 LEU B 84 13.428 9.105 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU B 84 14.384 10.360 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 84 12.609 10.481 -5.580 1.00 0.00 H new ATOM 1361 N GLN B 85 16.378 10.055 -9.094 1.00 0.00 N ATOM 1362 CA GLN B 85 17.706 9.448 -9.088 1.00 0.00 C ATOM 1363 C GLN B 85 18.769 10.446 -8.631 1.00 0.00 C ATOM 1364 O GLN B 85 19.494 10.185 -7.669 1.00 0.00 O ATOM 1365 CB GLN B 85 18.030 8.893 -10.482 1.00 0.00 C ATOM 1366 CG GLN B 85 19.342 8.124 -10.567 1.00 0.00 C ATOM 1367 CD GLN B 85 20.530 9.004 -10.916 1.00 0.00 C ATOM 1368 OE1 GLN B 85 21.207 9.543 -10.044 1.00 0.00 O ATOM 1369 NE2 GLN B 85 20.794 9.155 -12.196 1.00 0.00 N ATOM 0 H GLN B 85 15.913 10.034 -10.002 1.00 0.00 H new ATOM 0 HA GLN B 85 17.709 8.624 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN B 85 17.218 8.237 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN B 85 18.062 9.721 -11.190 1.00 0.00 H new ATOM 0 HG2 GLN B 85 19.530 7.633 -9.612 1.00 0.00 H new ATOM 0 HG3 GLN B 85 19.247 7.338 -11.317 1.00 0.00 H new ATOM 0 HE21 GLN B 85 20.212 8.693 -12.895 1.00 0.00 H new ATOM 0 HE22 GLN B 85 21.581 9.734 -12.490 1.00 0.00 H new ATOM 1378 N ARG B 86 18.848 11.589 -9.313 1.00 0.00 N ATOM 1379 CA ARG B 86 19.841 12.615 -8.984 1.00 0.00 C ATOM 1380 C ARG B 86 19.691 13.044 -7.530 1.00 0.00 C ATOM 1381 O ARG B 86 20.662 13.110 -6.779 1.00 0.00 O ATOM 1382 CB ARG B 86 19.674 13.838 -9.887 1.00 0.00 C ATOM 1383 CG ARG B 86 19.584 13.509 -11.366 1.00 0.00 C ATOM 1384 CD ARG B 86 19.524 14.776 -12.206 1.00 0.00 C ATOM 1385 NE ARG B 86 20.775 15.537 -12.135 1.00 0.00 N ATOM 1386 CZ ARG B 86 20.856 16.828 -11.802 1.00 0.00 C ATOM 1387 NH1 ARG B 86 19.761 17.513 -11.488 1.00 0.00 N ATOM 1388 NH2 ARG B 86 22.039 17.433 -11.787 1.00 0.00 N ATOM 0 H ARG B 86 18.238 11.828 -10.095 1.00 0.00 H new ATOM 0 HA ARG B 86 20.832 12.189 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG B 86 18.773 14.375 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG B 86 20.515 14.512 -9.726 1.00 0.00 H new ATOM 0 HG2 ARG B 86 20.447 12.913 -11.662 1.00 0.00 H new ATOM 0 HG3 ARG B 86 18.698 12.902 -11.554 1.00 0.00 H new ATOM 0 HD2 ARG B 86 19.316 14.515 -13.244 1.00 0.00 H new ATOM 0 HD3 ARG B 86 18.699 15.400 -11.863 1.00 0.00 H new ATOM 0 HE ARG B 86 21.642 15.047 -12.355 1.00 0.00 H new ATOM 0 HH11 ARG B 86 18.851 17.053 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG B 86 19.831 18.499 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG B 86 22.882 16.912 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG B 86 22.105 18.419 -11.533 1.00 0.00 H new ATOM 1402 N LEU B 87 18.450 13.320 -7.165 1.00 0.00 N ATOM 1403 CA LEU B 87 18.066 13.705 -5.813 1.00 0.00 C ATOM 1404 C LEU B 87 18.610 12.697 -4.790 1.00 0.00 C ATOM 1405 O LEU B 87 19.315 13.056 -3.843 1.00 0.00 O ATOM 1406 CB LEU B 87 16.537 13.730 -5.796 1.00 0.00 C ATOM 1407 CG LEU B 87 15.832 14.450 -4.651 1.00 0.00 C ATOM 1408 CD1 LEU B 87 16.137 15.941 -4.658 1.00 0.00 C ATOM 1409 CD2 LEU B 87 14.339 14.229 -4.794 1.00 0.00 C ATOM 0 H LEU B 87 17.663 13.282 -7.813 1.00 0.00 H new ATOM 0 HA LEU B 87 18.477 14.678 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU B 87 16.203 14.185 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU B 87 16.189 12.697 -5.802 1.00 0.00 H new ATOM 0 HG LEU B 87 16.191 14.047 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU B 87 15.618 16.422 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU B 87 17.211 16.093 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU B 87 15.800 16.377 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU B 87 13.817 14.737 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU B 87 14.002 14.630 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU B 87 14.124 13.161 -4.752 1.00 0.00 H new ATOM 1421 N PHE B 88 18.286 11.432 -5.018 1.00 0.00 N ATOM 1422 CA PHE B 88 18.708 10.332 -4.172 1.00 0.00 C ATOM 1423 C PHE B 88 20.231 10.230 -4.046 1.00 0.00 C ATOM 1424 O PHE B 88 20.780 10.468 -2.973 1.00 0.00 O ATOM 1425 CB PHE B 88 18.120 9.024 -4.718 1.00 0.00 C ATOM 1426 CG PHE B 88 18.695 7.784 -4.100 1.00 0.00 C ATOM 1427 CD1 PHE B 88 18.354 7.412 -2.813 1.00 0.00 C ATOM 1428 CD2 PHE B 88 19.583 6.996 -4.810 1.00 0.00 C ATOM 1429 CE1 PHE B 88 18.890 6.277 -2.242 1.00 0.00 C ATOM 1430 CE2 PHE B 88 20.120 5.861 -4.250 1.00 0.00 C ATOM 1431 CZ PHE B 88 19.774 5.499 -2.965 1.00 0.00 C ATOM 0 H PHE B 88 17.713 11.140 -5.810 1.00 0.00 H new ATOM 0 HA PHE B 88 18.332 10.520 -3.166 1.00 0.00 H new ATOM 0 HB2 PHE B 88 17.042 9.029 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE B 88 18.282 8.988 -5.795 1.00 0.00 H new ATOM 0 HD1 PHE B 88 17.660 8.017 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE B 88 19.858 7.276 -5.816 1.00 0.00 H new ATOM 0 HE1 PHE B 88 18.620 5.997 -1.234 1.00 0.00 H new ATOM 0 HE2 PHE B 88 20.812 5.254 -4.815 1.00 0.00 H new ATOM 0 HZ PHE B 88 20.194 4.607 -2.524 1.00 0.00 H new ATOM 1441 N GLU B 89 20.911 9.894 -5.138 1.00 0.00 N ATOM 1442 CA GLU B 89 22.331 9.548 -5.076 1.00 0.00 C ATOM 1443 C GLU B 89 23.182 10.700 -4.559 1.00 0.00 C ATOM 1444 O GLU B 89 24.153 10.495 -3.828 1.00 0.00 O ATOM 1445 CB GLU B 89 22.848 9.129 -6.450 1.00 0.00 C ATOM 1446 CG GLU B 89 22.136 7.923 -7.038 1.00 0.00 C ATOM 1447 CD GLU B 89 22.852 7.362 -8.252 1.00 0.00 C ATOM 1448 OE1 GLU B 89 24.044 7.691 -8.449 1.00 0.00 O ATOM 1449 OE2 GLU B 89 22.246 6.565 -8.999 1.00 0.00 O ATOM 0 H GLU B 89 20.506 9.853 -6.073 1.00 0.00 H new ATOM 0 HA GLU B 89 22.416 8.715 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU B 89 22.745 9.969 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU B 89 23.913 8.908 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU B 89 22.054 7.147 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU B 89 21.121 8.205 -7.317 1.00 0.00 H new ATOM 1456 N GLU B 90 22.806 11.907 -4.926 1.00 0.00 N ATOM 1457 CA GLU B 90 23.621 13.070 -4.647 1.00 0.00 C ATOM 1458 C GLU B 90 23.463 13.575 -3.216 1.00 0.00 C ATOM 1459 O GLU B 90 24.329 14.297 -2.718 1.00 0.00 O ATOM 1460 CB GLU B 90 23.296 14.167 -5.651 1.00 0.00 C ATOM 1461 CG GLU B 90 24.085 14.041 -6.943 1.00 0.00 C ATOM 1462 CD GLU B 90 25.576 14.199 -6.726 1.00 0.00 C ATOM 1463 OE1 GLU B 90 26.214 13.268 -6.185 1.00 0.00 O ATOM 1464 OE2 GLU B 90 26.121 15.258 -7.091 1.00 0.00 O ATOM 0 H GLU B 90 21.937 12.109 -5.421 1.00 0.00 H new ATOM 0 HA GLU B 90 24.666 12.776 -4.749 1.00 0.00 H new ATOM 0 HB2 GLU B 90 22.230 14.140 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU B 90 23.501 15.138 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU B 90 23.887 13.068 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU B 90 23.741 14.796 -7.651 1.00 0.00 H new ATOM 1471 N PHE B 91 22.376 13.207 -2.550 1.00 0.00 N ATOM 1472 CA PHE B 91 22.150 13.674 -1.184 1.00 0.00 C ATOM 1473 C PHE B 91 22.018 12.524 -0.188 1.00 0.00 C ATOM 1474 O PHE B 91 21.737 12.750 0.988 1.00 0.00 O ATOM 1475 CB PHE B 91 20.898 14.546 -1.127 1.00 0.00 C ATOM 1476 CG PHE B 91 21.010 15.835 -1.896 1.00 0.00 C ATOM 1477 CD1 PHE B 91 20.477 15.951 -3.171 1.00 0.00 C ATOM 1478 CD2 PHE B 91 21.650 16.931 -1.341 1.00 0.00 C ATOM 1479 CE1 PHE B 91 20.578 17.137 -3.875 1.00 0.00 C ATOM 1480 CE2 PHE B 91 21.754 18.119 -2.039 1.00 0.00 C ATOM 1481 CZ PHE B 91 21.219 18.221 -3.309 1.00 0.00 C ATOM 0 H PHE B 91 21.648 12.598 -2.923 1.00 0.00 H new ATOM 0 HA PHE B 91 23.025 14.258 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE B 91 20.054 13.976 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE B 91 20.675 14.775 -0.085 1.00 0.00 H new ATOM 0 HD1 PHE B 91 19.977 15.105 -3.619 1.00 0.00 H new ATOM 0 HD2 PHE B 91 22.073 16.856 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE B 91 20.156 17.215 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE B 91 22.253 18.967 -1.593 1.00 0.00 H new ATOM 0 HZ PHE B 91 21.302 19.147 -3.858 1.00 0.00 H new ATOM 1491 N ARG B 92 22.258 11.297 -0.640 1.00 0.00 N ATOM 1492 CA ARG B 92 22.005 10.122 0.196 1.00 0.00 C ATOM 1493 C ARG B 92 23.075 9.923 1.271 1.00 0.00 C ATOM 1494 O ARG B 92 22.906 9.099 2.166 1.00 0.00 O ATOM 1495 CB ARG B 92 21.882 8.850 -0.648 1.00 0.00 C ATOM 1496 CG ARG B 92 23.208 8.360 -1.187 1.00 0.00 C ATOM 1497 CD ARG B 92 23.113 6.944 -1.740 1.00 0.00 C ATOM 1498 NE ARG B 92 22.858 5.965 -0.676 1.00 0.00 N ATOM 1499 CZ ARG B 92 23.412 4.749 -0.615 1.00 0.00 C ATOM 1500 NH1 ARG B 92 24.225 4.328 -1.578 1.00 0.00 N ATOM 1501 NH2 ARG B 92 23.138 3.956 0.413 1.00 0.00 N ATOM 0 H ARG B 92 22.623 11.088 -1.569 1.00 0.00 H new ATOM 0 HA ARG B 92 21.056 10.311 0.698 1.00 0.00 H new ATOM 0 HB2 ARG B 92 21.430 8.063 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG B 92 21.206 9.039 -1.482 1.00 0.00 H new ATOM 0 HG2 ARG B 92 23.551 9.033 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG B 92 23.955 8.390 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG B 92 22.314 6.894 -2.480 1.00 0.00 H new ATOM 0 HD3 ARG B 92 24.040 6.690 -2.254 1.00 0.00 H new ATOM 0 HE ARG B 92 22.213 6.231 0.069 1.00 0.00 H new ATOM 0 HH11 ARG B 92 24.431 4.934 -2.372 1.00 0.00 H new ATOM 0 HH12 ARG B 92 24.643 3.399 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG B 92 22.509 4.275 1.150 1.00 0.00 H new ATOM 0 HH22 ARG B 92 23.557 3.027 0.467 1.00 0.00 H new ATOM 1515 N ASP B 93 24.185 10.647 1.171 1.00 0.00 N ATOM 1516 CA ASP B 93 25.249 10.534 2.173 1.00 0.00 C ATOM 1517 C ASP B 93 24.802 11.155 3.491 1.00 0.00 C ATOM 1518 O ASP B 93 25.255 10.767 4.571 1.00 0.00 O ATOM 1519 CB ASP B 93 26.532 11.210 1.686 1.00 0.00 C ATOM 1520 CG ASP B 93 27.669 11.098 2.689 1.00 0.00 C ATOM 1521 OD1 ASP B 93 27.962 12.093 3.384 1.00 0.00 O ATOM 1522 OD2 ASP B 93 28.281 10.011 2.783 1.00 0.00 O ATOM 0 H ASP B 93 24.374 11.310 0.419 1.00 0.00 H new ATOM 0 HA ASP B 93 25.455 9.475 2.330 1.00 0.00 H new ATOM 0 HB2 ASP B 93 26.840 10.760 0.742 1.00 0.00 H new ATOM 0 HB3 ASP B 93 26.331 12.263 1.487 1.00 0.00 H new ATOM 1527 N SER B 94 23.898 12.114 3.393 1.00 0.00 N ATOM 1528 CA SER B 94 23.351 12.772 4.563 1.00 0.00 C ATOM 1529 C SER B 94 21.918 12.299 4.779 1.00 0.00 C ATOM 1530 O SER B 94 21.400 11.500 3.998 1.00 0.00 O ATOM 1531 CB SER B 94 23.397 14.300 4.380 1.00 0.00 C ATOM 1532 OG SER B 94 22.990 14.985 5.557 1.00 0.00 O ATOM 0 H SER B 94 23.526 12.455 2.507 1.00 0.00 H new ATOM 0 HA SER B 94 23.946 12.517 5.440 1.00 0.00 H new ATOM 0 HB2 SER B 94 24.409 14.604 4.114 1.00 0.00 H new ATOM 0 HB3 SER B 94 22.750 14.586 3.551 1.00 0.00 H new ATOM 0 HG SER B 94 22.412 15.738 5.314 1.00 0.00 H new ATOM 1538 N ASP B 95 21.287 12.792 5.836 1.00 0.00 N ATOM 1539 CA ASP B 95 19.883 12.501 6.099 1.00 0.00 C ATOM 1540 C ASP B 95 19.019 13.059 4.984 1.00 0.00 C ATOM 1541 O ASP B 95 17.921 12.569 4.711 1.00 0.00 O ATOM 1542 CB ASP B 95 19.458 13.127 7.434 1.00 0.00 C ATOM 1543 CG ASP B 95 17.968 12.981 7.715 1.00 0.00 C ATOM 1544 OD1 ASP B 95 17.542 11.896 8.167 1.00 0.00 O ATOM 1545 OD2 ASP B 95 17.217 13.956 7.506 1.00 0.00 O ATOM 0 H ASP B 95 21.727 13.398 6.528 1.00 0.00 H new ATOM 0 HA ASP B 95 19.754 11.420 6.149 1.00 0.00 H new ATOM 0 HB2 ASP B 95 20.021 12.661 8.243 1.00 0.00 H new ATOM 0 HB3 ASP B 95 19.719 14.185 7.432 1.00 0.00 H new ATOM 1550 N ASP B 96 19.549 14.062 4.302 1.00 0.00 N ATOM 1551 CA ASP B 96 18.738 14.849 3.407 1.00 0.00 C ATOM 1552 C ASP B 96 18.706 14.281 1.994 1.00 0.00 C ATOM 1553 O ASP B 96 18.783 15.043 1.034 1.00 0.00 O ATOM 1554 CB ASP B 96 19.325 16.261 3.326 1.00 0.00 C ATOM 1555 CG ASP B 96 19.738 16.822 4.668 1.00 0.00 C ATOM 1556 OD1 ASP B 96 20.913 16.630 5.055 1.00 0.00 O ATOM 1557 OD2 ASP B 96 18.907 17.483 5.320 1.00 0.00 O ATOM 0 H ASP B 96 20.528 14.343 4.355 1.00 0.00 H new ATOM 0 HA ASP B 96 17.722 14.845 3.802 1.00 0.00 H new ATOM 0 HB2 ASP B 96 20.191 16.248 2.665 1.00 0.00 H new ATOM 0 HB3 ASP B 96 18.589 16.926 2.874 1.00 0.00 H new ATOM 1562 N VAL B 97 18.553 12.974 1.836 1.00 0.00 N ATOM 1563 CA VAL B 97 18.035 12.463 0.581 1.00 0.00 C ATOM 1564 C VAL B 97 16.518 12.409 0.632 1.00 0.00 C ATOM 1565 O VAL B 97 15.830 13.176 -0.030 1.00 0.00 O ATOM 1566 CB VAL B 97 18.616 11.091 0.121 1.00 0.00 C ATOM 1567 CG1 VAL B 97 18.874 10.134 1.270 1.00 0.00 C ATOM 1568 CG2 VAL B 97 17.676 10.437 -0.877 1.00 0.00 C ATOM 0 H VAL B 97 18.773 12.269 2.539 1.00 0.00 H new ATOM 0 HA VAL B 97 18.373 13.170 -0.177 1.00 0.00 H new ATOM 0 HB VAL B 97 19.579 11.304 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL B 97 19.277 9.199 0.881 1.00 0.00 H new ATOM 0 HG12 VAL B 97 19.590 10.579 1.960 1.00 0.00 H new ATOM 0 HG13 VAL B 97 17.940 9.935 1.795 1.00 0.00 H new ATOM 0 HG21 VAL B 97 18.090 9.479 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL B 97 16.704 10.276 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL B 97 17.559 11.086 -1.745 1.00 0.00 H new ATOM 1578 N LEU B 98 16.022 11.547 1.512 1.00 0.00 N ATOM 1579 CA LEU B 98 14.625 11.164 1.523 1.00 0.00 C ATOM 1580 C LEU B 98 13.762 12.297 2.049 1.00 0.00 C ATOM 1581 O LEU B 98 12.759 12.662 1.438 1.00 0.00 O ATOM 1582 CB LEU B 98 14.448 9.907 2.376 1.00 0.00 C ATOM 1583 CG LEU B 98 13.441 8.901 1.831 1.00 0.00 C ATOM 1584 CD1 LEU B 98 13.940 8.298 0.534 1.00 0.00 C ATOM 1585 CD2 LEU B 98 13.163 7.812 2.850 1.00 0.00 C ATOM 0 H LEU B 98 16.582 11.097 2.236 1.00 0.00 H new ATOM 0 HA LEU B 98 14.306 10.949 0.503 1.00 0.00 H new ATOM 0 HB2 LEU B 98 15.415 9.414 2.476 1.00 0.00 H new ATOM 0 HB3 LEU B 98 14.137 10.205 3.377 1.00 0.00 H new ATOM 0 HG LEU B 98 12.508 9.428 1.631 1.00 0.00 H new ATOM 0 HD11 LEU B 98 13.208 7.582 0.160 1.00 0.00 H new ATOM 0 HD12 LEU B 98 14.084 9.088 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU B 98 14.888 7.789 0.710 1.00 0.00 H new ATOM 0 HD21 LEU B 98 12.442 7.105 2.440 1.00 0.00 H new ATOM 0 HD22 LEU B 98 14.090 7.289 3.086 1.00 0.00 H new ATOM 0 HD23 LEU B 98 12.757 8.258 3.758 1.00 0.00 H new ATOM 1597 N GLY B 99 14.164 12.853 3.180 1.00 0.00 N ATOM 1598 CA GLY B 99 13.473 13.997 3.729 1.00 0.00 C ATOM 1599 C GLY B 99 13.485 15.177 2.777 1.00 0.00 C ATOM 1600 O GLY B 99 12.462 15.829 2.572 1.00 0.00 O ATOM 0 H GLY B 99 14.960 12.530 3.729 1.00 0.00 H new ATOM 0 HA2 GLY B 99 12.442 13.724 3.955 1.00 0.00 H new ATOM 0 HA3 GLY B 99 13.940 14.286 4.670 1.00 0.00 H new ATOM 1604 N HIS B 100 14.632 15.430 2.160 1.00 0.00 N ATOM 1605 CA HIS B 100 14.770 16.571 1.260 1.00 0.00 C ATOM 1606 C HIS B 100 13.988 16.363 -0.024 1.00 0.00 C ATOM 1607 O HIS B 100 13.730 17.316 -0.747 1.00 0.00 O ATOM 1608 CB HIS B 100 16.231 16.877 0.945 1.00 0.00 C ATOM 1609 CG HIS B 100 16.818 17.919 1.849 1.00 0.00 C ATOM 1610 ND1 HIS B 100 17.730 18.857 1.425 1.00 0.00 N ATOM 1611 CD2 HIS B 100 16.623 18.158 3.168 1.00 0.00 C ATOM 1612 CE1 HIS B 100 18.075 19.623 2.444 1.00 0.00 C ATOM 1613 NE2 HIS B 100 17.418 19.222 3.514 1.00 0.00 N ATOM 0 H HIS B 100 15.475 14.866 2.264 1.00 0.00 H new ATOM 0 HA HIS B 100 14.353 17.432 1.783 1.00 0.00 H new ATOM 0 HB2 HIS B 100 16.815 15.960 1.029 1.00 0.00 H new ATOM 0 HB3 HIS B 100 16.312 17.213 -0.089 1.00 0.00 H new ATOM 0 HD2 HIS B 100 15.963 17.612 3.826 1.00 0.00 H new ATOM 0 HE1 HIS B 100 18.778 20.442 2.407 1.00 0.00 H new ATOM 0 HE2 HIS B 100 17.489 19.634 4.444 1.00 0.00 H new ATOM 1622 N ILE B 101 13.620 15.125 -0.315 1.00 0.00 N ATOM 1623 CA ILE B 101 12.692 14.874 -1.402 1.00 0.00 C ATOM 1624 C ILE B 101 11.376 15.560 -1.091 1.00 0.00 C ATOM 1625 O ILE B 101 10.993 16.540 -1.721 1.00 0.00 O ATOM 1626 CB ILE B 101 12.413 13.365 -1.607 1.00 0.00 C ATOM 1627 CG1 ILE B 101 13.699 12.609 -1.925 1.00 0.00 C ATOM 1628 CG2 ILE B 101 11.387 13.151 -2.716 1.00 0.00 C ATOM 1629 CD1 ILE B 101 13.488 11.126 -2.116 1.00 0.00 C ATOM 0 H ILE B 101 13.944 14.293 0.178 1.00 0.00 H new ATOM 0 HA ILE B 101 13.146 15.262 -2.314 1.00 0.00 H new ATOM 0 HB ILE B 101 12.006 12.972 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE B 101 14.143 13.025 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE B 101 14.414 12.766 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE B 101 11.206 12.084 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE B 101 10.454 13.648 -2.450 1.00 0.00 H new ATOM 0 HG23 ILE B 101 11.767 13.568 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE B 101 14.442 10.649 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE B 101 13.072 10.697 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE B 101 12.797 10.960 -2.943 1.00 0.00 H new ATOM 1641 N MET B 102 10.742 15.083 -0.048 1.00 0.00 N ATOM 1642 CA MET B 102 9.412 15.531 0.322 1.00 0.00 C ATOM 1643 C MET B 102 9.414 16.984 0.786 1.00 0.00 C ATOM 1644 O MET B 102 8.359 17.606 0.914 1.00 0.00 O ATOM 1645 CB MET B 102 8.839 14.617 1.399 1.00 0.00 C ATOM 1646 CG MET B 102 9.860 13.647 1.989 1.00 0.00 C ATOM 1647 SD MET B 102 9.223 12.747 3.406 1.00 0.00 S ATOM 1648 CE MET B 102 7.945 11.826 2.577 1.00 0.00 C ATOM 0 H MET B 102 11.130 14.372 0.572 1.00 0.00 H new ATOM 0 HA MET B 102 8.778 15.479 -0.563 1.00 0.00 H new ATOM 0 HB2 MET B 102 8.427 15.229 2.201 1.00 0.00 H new ATOM 0 HB3 MET B 102 8.012 14.047 0.977 1.00 0.00 H new ATOM 0 HG2 MET B 102 10.167 12.937 1.221 1.00 0.00 H new ATOM 0 HG3 MET B 102 10.751 14.200 2.286 1.00 0.00 H new ATOM 0 HE1 MET B 102 7.593 11.025 3.227 1.00 0.00 H new ATOM 0 HE2 MET B 102 7.114 12.490 2.338 1.00 0.00 H new ATOM 0 HE3 MET B 102 8.343 11.398 1.657 1.00 0.00 H new ATOM 1658 N LYS B 103 10.593 17.513 1.066 1.00 0.00 N ATOM 1659 CA LYS B 103 10.726 18.917 1.414 1.00 0.00 C ATOM 1660 C LYS B 103 11.059 19.775 0.186 1.00 0.00 C ATOM 1661 O LYS B 103 10.366 20.748 -0.103 1.00 0.00 O ATOM 1662 CB LYS B 103 11.801 19.110 2.492 1.00 0.00 C ATOM 1663 CG LYS B 103 11.245 19.401 3.885 1.00 0.00 C ATOM 1664 CD LYS B 103 10.557 18.191 4.505 1.00 0.00 C ATOM 1665 CE LYS B 103 11.557 17.165 5.021 1.00 0.00 C ATOM 1666 NZ LYS B 103 12.368 17.681 6.157 1.00 0.00 N ATOM 0 H LYS B 103 11.470 16.992 1.059 1.00 0.00 H new ATOM 0 HA LYS B 103 9.764 19.245 1.807 1.00 0.00 H new ATOM 0 HB2 LYS B 103 12.418 18.212 2.539 1.00 0.00 H new ATOM 0 HB3 LYS B 103 12.454 19.930 2.195 1.00 0.00 H new ATOM 0 HG2 LYS B 103 12.057 19.726 4.536 1.00 0.00 H new ATOM 0 HG3 LYS B 103 10.536 20.226 3.824 1.00 0.00 H new ATOM 0 HD2 LYS B 103 9.918 18.519 5.325 1.00 0.00 H new ATOM 0 HD3 LYS B 103 9.909 17.724 3.764 1.00 0.00 H new ATOM 0 HE2 LYS B 103 11.023 16.269 5.338 1.00 0.00 H new ATOM 0 HE3 LYS B 103 12.221 16.870 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 12.816 16.885 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 13.104 18.321 5.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 11.752 18.198 6.816 1.00 0.00 H new ATOM 1680 N ASN B 104 12.086 19.381 -0.565 1.00 0.00 N ATOM 1681 CA ASN B 104 12.711 20.283 -1.533 1.00 0.00 C ATOM 1682 C ASN B 104 12.531 19.873 -2.996 1.00 0.00 C ATOM 1683 O ASN B 104 12.950 20.617 -3.885 1.00 0.00 O ATOM 1684 CB ASN B 104 14.207 20.414 -1.235 1.00 0.00 C ATOM 1685 CG ASN B 104 14.504 21.278 -0.021 1.00 0.00 C ATOM 1686 OD1 ASN B 104 13.693 22.303 0.208 1.00 0.00 O flip ATOM 1687 ND2 ASN B 104 15.465 21.030 0.706 1.00 0.00 N flip ATOM 0 H ASN B 104 12.501 18.450 -0.523 1.00 0.00 H new ATOM 0 HA ASN B 104 12.195 21.236 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN B 104 14.627 19.421 -1.077 1.00 0.00 H new ATOM 0 HB3 ASN B 104 14.708 20.838 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN B 104 16.068 20.233 0.500 1.00 0.00 H new ATOM 0 HD22 ASN B 104 15.659 21.621 1.515 1.00 0.00 H new ATOM 1694 N ILE B 105 11.930 18.725 -3.285 1.00 0.00 N ATOM 1695 CA ILE B 105 11.708 18.377 -4.688 1.00 0.00 C ATOM 1696 C ILE B 105 10.346 18.874 -5.138 1.00 0.00 C ATOM 1697 O ILE B 105 9.453 19.100 -4.321 1.00 0.00 O ATOM 1698 CB ILE B 105 11.844 16.857 -4.990 1.00 0.00 C ATOM 1699 CG1 ILE B 105 12.011 16.605 -6.498 1.00 0.00 C ATOM 1700 CG2 ILE B 105 10.642 16.071 -4.482 1.00 0.00 C ATOM 1701 CD1 ILE B 105 13.253 17.230 -7.097 1.00 0.00 C ATOM 0 H ILE B 105 11.599 18.043 -2.602 1.00 0.00 H new ATOM 0 HA ILE B 105 12.499 18.872 -5.252 1.00 0.00 H new ATOM 0 HB ILE B 105 12.735 16.512 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE B 105 12.037 15.530 -6.675 1.00 0.00 H new ATOM 0 HG13 ILE B 105 11.135 16.992 -7.019 1.00 0.00 H new ATOM 0 HG21 ILE B 105 10.775 15.014 -4.712 1.00 0.00 H new ATOM 0 HG22 ILE B 105 10.553 16.199 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE B 105 9.737 16.437 -4.967 1.00 0.00 H new ATOM 0 HD11 ILE B 105 13.296 17.005 -8.163 1.00 0.00 H new ATOM 0 HD12 ILE B 105 13.221 18.310 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE B 105 14.137 16.825 -6.605 1.00 0.00 H new ATOM 1713 N THR B 106 10.212 19.047 -6.439 1.00 0.00 N ATOM 1714 CA THR B 106 9.002 19.563 -7.048 1.00 0.00 C ATOM 1715 C THR B 106 7.768 18.736 -6.672 1.00 0.00 C ATOM 1716 O THR B 106 6.659 19.265 -6.589 1.00 0.00 O ATOM 1717 CB THR B 106 9.168 19.585 -8.580 1.00 0.00 C ATOM 1718 OG1 THR B 106 8.108 20.325 -9.198 1.00 0.00 O ATOM 1719 CG2 THR B 106 9.194 18.173 -9.142 1.00 0.00 C ATOM 0 H THR B 106 10.949 18.831 -7.110 1.00 0.00 H new ATOM 0 HA THR B 106 8.845 20.574 -6.671 1.00 0.00 H new ATOM 0 HB THR B 106 10.117 20.073 -8.801 1.00 0.00 H new ATOM 0 HG1 THR B 106 8.234 20.327 -10.170 1.00 0.00 H new ATOM 0 HG21 THR B 106 9.312 18.214 -10.225 1.00 0.00 H new ATOM 0 HG22 THR B 106 10.029 17.624 -8.707 1.00 0.00 H new ATOM 0 HG23 THR B 106 8.260 17.667 -8.898 1.00 0.00 H new ATOM 1727 N ALA B 107 7.961 17.447 -6.421 1.00 0.00 N ATOM 1728 CA ALA B 107 6.836 16.572 -6.140 1.00 0.00 C ATOM 1729 C ALA B 107 6.793 16.204 -4.672 1.00 0.00 C ATOM 1730 O ALA B 107 7.777 15.724 -4.116 1.00 0.00 O ATOM 1731 CB ALA B 107 6.917 15.313 -6.982 1.00 0.00 C ATOM 0 H ALA B 107 8.874 16.992 -6.407 1.00 0.00 H new ATOM 0 HA ALA B 107 5.922 17.110 -6.393 1.00 0.00 H new ATOM 0 HB1 ALA B 107 6.066 14.670 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA B 107 6.901 15.580 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA B 107 7.842 14.783 -6.756 1.00 0.00 H new ATOM 1737 N LYS B 108 5.652 16.402 -4.045 1.00 0.00 N ATOM 1738 CA LYS B 108 5.508 16.027 -2.658 1.00 0.00 C ATOM 1739 C LYS B 108 5.104 14.570 -2.564 1.00 0.00 C ATOM 1740 O LYS B 108 3.943 14.206 -2.767 1.00 0.00 O ATOM 1741 CB LYS B 108 4.512 16.939 -1.943 1.00 0.00 C ATOM 1742 CG LYS B 108 5.189 18.083 -1.204 1.00 0.00 C ATOM 1743 CD LYS B 108 6.059 18.930 -2.122 1.00 0.00 C ATOM 1744 CE LYS B 108 7.400 19.228 -1.475 1.00 0.00 C ATOM 1745 NZ LYS B 108 8.196 20.219 -2.251 1.00 0.00 N ATOM 0 H LYS B 108 4.822 16.815 -4.469 1.00 0.00 H new ATOM 0 HA LYS B 108 6.467 16.150 -2.154 1.00 0.00 H new ATOM 0 HB2 LYS B 108 3.811 17.347 -2.672 1.00 0.00 H new ATOM 0 HB3 LYS B 108 3.929 16.349 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS B 108 4.430 18.714 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS B 108 5.801 17.680 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS B 108 6.214 18.408 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS B 108 5.547 19.864 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS B 108 7.238 19.607 -0.466 1.00 0.00 H new ATOM 0 HE3 LYS B 108 7.969 18.303 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 108 9.064 20.453 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 108 8.448 19.815 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 108 7.633 21.082 -2.392 1.00 0.00 H new ATOM 1759 N ARG B 109 6.085 13.742 -2.271 1.00 0.00 N ATOM 1760 CA ARG B 109 5.891 12.311 -2.225 1.00 0.00 C ATOM 1761 C ARG B 109 6.002 11.830 -0.793 1.00 0.00 C ATOM 1762 O ARG B 109 6.641 12.475 0.027 1.00 0.00 O ATOM 1763 CB ARG B 109 6.938 11.604 -3.090 1.00 0.00 C ATOM 1764 CG ARG B 109 7.148 12.233 -4.461 1.00 0.00 C ATOM 1765 CD ARG B 109 8.280 11.543 -5.210 1.00 0.00 C ATOM 1766 NE ARG B 109 8.704 12.287 -6.401 1.00 0.00 N ATOM 1767 CZ ARG B 109 9.980 12.449 -6.767 1.00 0.00 C ATOM 1768 NH1 ARG B 109 10.960 11.970 -6.012 1.00 0.00 N ATOM 1769 NH2 ARG B 109 10.273 13.094 -7.887 1.00 0.00 N ATOM 0 H ARG B 109 7.036 14.043 -2.059 1.00 0.00 H new ATOM 0 HA ARG B 109 4.900 12.076 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG B 109 7.889 11.598 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG B 109 6.640 10.564 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG B 109 6.228 12.164 -5.041 1.00 0.00 H new ATOM 0 HG3 ARG B 109 7.375 13.293 -4.348 1.00 0.00 H new ATOM 0 HD2 ARG B 109 9.132 11.420 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG B 109 7.959 10.544 -5.505 1.00 0.00 H new ATOM 0 HE ARG B 109 7.981 12.707 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG B 109 10.742 11.475 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG B 109 11.931 12.097 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG B 109 9.525 13.468 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG B 109 11.247 13.217 -8.165 1.00 0.00 H new ATOM 1783 N SER B 110 5.382 10.705 -0.505 1.00 0.00 N ATOM 1784 CA SER B 110 5.454 10.109 0.817 1.00 0.00 C ATOM 1785 C SER B 110 6.533 9.036 0.832 1.00 0.00 C ATOM 1786 O SER B 110 6.973 8.585 -0.225 1.00 0.00 O ATOM 1787 CB SER B 110 4.103 9.519 1.210 1.00 0.00 C ATOM 1788 OG SER B 110 3.076 10.490 1.096 1.00 0.00 O ATOM 0 H SER B 110 4.818 10.180 -1.173 1.00 0.00 H new ATOM 0 HA SER B 110 5.710 10.880 1.544 1.00 0.00 H new ATOM 0 HB2 SER B 110 3.875 8.665 0.572 1.00 0.00 H new ATOM 0 HB3 SER B 110 4.147 9.149 2.234 1.00 0.00 H new ATOM 0 HG SER B 110 2.218 10.090 1.351 1.00 0.00 H new ATOM 1794 N ARG B 111 6.941 8.625 2.023 1.00 0.00 N ATOM 1795 CA ARG B 111 8.082 7.731 2.187 1.00 0.00 C ATOM 1796 C ARG B 111 7.925 6.427 1.407 1.00 0.00 C ATOM 1797 O ARG B 111 8.794 6.074 0.613 1.00 0.00 O ATOM 1798 CB ARG B 111 8.304 7.436 3.670 1.00 0.00 C ATOM 1799 CG ARG B 111 8.779 8.646 4.458 1.00 0.00 C ATOM 1800 CD ARG B 111 10.188 9.044 4.056 1.00 0.00 C ATOM 1801 NE ARG B 111 10.638 10.266 4.721 1.00 0.00 N ATOM 1802 CZ ARG B 111 11.675 10.319 5.563 1.00 0.00 C ATOM 1803 NH1 ARG B 111 12.302 9.206 5.924 1.00 0.00 N ATOM 1804 NH2 ARG B 111 12.068 11.483 6.067 1.00 0.00 N ATOM 0 H ARG B 111 6.495 8.898 2.899 1.00 0.00 H new ATOM 0 HA ARG B 111 8.953 8.242 1.778 1.00 0.00 H new ATOM 0 HB2 ARG B 111 7.373 7.071 4.104 1.00 0.00 H new ATOM 0 HB3 ARG B 111 9.038 6.636 3.769 1.00 0.00 H new ATOM 0 HG2 ARG B 111 8.100 9.482 4.290 1.00 0.00 H new ATOM 0 HG3 ARG B 111 8.752 8.422 5.524 1.00 0.00 H new ATOM 0 HD2 ARG B 111 10.874 8.231 4.295 1.00 0.00 H new ATOM 0 HD3 ARG B 111 10.227 9.187 2.976 1.00 0.00 H new ATOM 0 HE ARG B 111 10.130 11.130 4.531 1.00 0.00 H new ATOM 0 HH11 ARG B 111 11.993 8.305 5.559 1.00 0.00 H new ATOM 0 HH12 ARG B 111 13.093 9.252 6.567 1.00 0.00 H new ATOM 0 HH21 ARG B 111 11.578 12.341 5.812 1.00 0.00 H new ATOM 0 HH22 ARG B 111 12.860 11.519 6.709 1.00 0.00 H new ATOM 1818 N ALA B 112 6.809 5.737 1.613 1.00 0.00 N ATOM 1819 CA ALA B 112 6.601 4.407 1.033 1.00 0.00 C ATOM 1820 C ALA B 112 6.760 4.396 -0.486 1.00 0.00 C ATOM 1821 O ALA B 112 7.389 3.496 -1.039 1.00 0.00 O ATOM 1822 CB ALA B 112 5.228 3.872 1.412 1.00 0.00 C ATOM 0 H ALA B 112 6.030 6.074 2.178 1.00 0.00 H new ATOM 0 HA ALA B 112 7.375 3.760 1.446 1.00 0.00 H new ATOM 0 HB1 ALA B 112 5.089 2.884 0.974 1.00 0.00 H new ATOM 0 HB2 ALA B 112 5.152 3.802 2.497 1.00 0.00 H new ATOM 0 HB3 ALA B 112 4.458 4.547 1.037 1.00 0.00 H new ATOM 1828 N ARG B 113 6.212 5.404 -1.158 1.00 0.00 N ATOM 1829 CA ARG B 113 6.220 5.426 -2.619 1.00 0.00 C ATOM 1830 C ARG B 113 7.611 5.762 -3.150 1.00 0.00 C ATOM 1831 O ARG B 113 7.977 5.364 -4.255 1.00 0.00 O ATOM 1832 CB ARG B 113 5.185 6.422 -3.152 1.00 0.00 C ATOM 1833 CG ARG B 113 5.507 7.872 -2.843 1.00 0.00 C ATOM 1834 CD ARG B 113 4.293 8.757 -3.045 1.00 0.00 C ATOM 1835 NE ARG B 113 3.218 8.409 -2.114 1.00 0.00 N ATOM 1836 CZ ARG B 113 2.223 9.229 -1.774 1.00 0.00 C ATOM 1837 NH1 ARG B 113 2.115 10.424 -2.340 1.00 0.00 N ATOM 1838 NH2 ARG B 113 1.322 8.840 -0.885 1.00 0.00 N ATOM 0 H ARG B 113 5.761 6.208 -0.722 1.00 0.00 H new ATOM 0 HA ARG B 113 5.952 4.431 -2.973 1.00 0.00 H new ATOM 0 HB2 ARG B 113 5.102 6.301 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG B 113 4.210 6.179 -2.729 1.00 0.00 H new ATOM 0 HG2 ARG B 113 5.857 7.959 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG B 113 6.319 8.212 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG B 113 4.574 9.801 -2.905 1.00 0.00 H new ATOM 0 HD3 ARG B 113 3.935 8.658 -4.070 1.00 0.00 H new ATOM 0 HE ARG B 113 3.231 7.478 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG B 113 2.795 10.720 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG B 113 1.351 11.046 -2.075 1.00 0.00 H new ATOM 0 HH21 ARG B 113 1.390 7.915 -0.462 1.00 0.00 H new ATOM 0 HH22 ARG B 113 0.560 9.466 -0.624 1.00 0.00 H new ATOM 1852 N ILE B 114 8.381 6.493 -2.358 1.00 0.00 N ATOM 1853 CA ILE B 114 9.750 6.814 -2.719 1.00 0.00 C ATOM 1854 C ILE B 114 10.622 5.584 -2.548 1.00 0.00 C ATOM 1855 O ILE B 114 11.396 5.214 -3.435 1.00 0.00 O ATOM 1856 CB ILE B 114 10.313 7.944 -1.840 1.00 0.00 C ATOM 1857 CG1 ILE B 114 9.493 9.220 -2.012 1.00 0.00 C ATOM 1858 CG2 ILE B 114 11.771 8.196 -2.184 1.00 0.00 C ATOM 1859 CD1 ILE B 114 9.858 10.311 -1.019 1.00 0.00 C ATOM 0 H ILE B 114 8.079 6.874 -1.461 1.00 0.00 H new ATOM 0 HA ILE B 114 9.753 7.145 -3.758 1.00 0.00 H new ATOM 0 HB ILE B 114 10.248 7.638 -0.796 1.00 0.00 H new ATOM 0 HG12 ILE B 114 9.633 9.599 -3.024 1.00 0.00 H new ATOM 0 HG13 ILE B 114 8.435 8.980 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE B 114 12.160 8.998 -1.556 1.00 0.00 H new ATOM 0 HG22 ILE B 114 12.348 7.287 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE B 114 11.853 8.484 -3.232 1.00 0.00 H new ATOM 0 HD11 ILE B 114 9.237 11.189 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE B 114 9.692 9.950 -0.004 1.00 0.00 H new ATOM 0 HD13 ILE B 114 10.908 10.578 -1.141 1.00 0.00 H new ATOM 1871 N VAL B 115 10.467 4.954 -1.397 1.00 0.00 N ATOM 1872 CA VAL B 115 11.204 3.750 -1.065 1.00 0.00 C ATOM 1873 C VAL B 115 10.958 2.661 -2.100 1.00 0.00 C ATOM 1874 O VAL B 115 11.901 2.074 -2.630 1.00 0.00 O ATOM 1875 CB VAL B 115 10.805 3.244 0.334 1.00 0.00 C ATOM 1876 CG1 VAL B 115 11.462 1.912 0.645 1.00 0.00 C ATOM 1877 CG2 VAL B 115 11.160 4.279 1.389 1.00 0.00 C ATOM 0 H VAL B 115 9.826 5.264 -0.667 1.00 0.00 H new ATOM 0 HA VAL B 115 12.266 3.994 -1.064 1.00 0.00 H new ATOM 0 HB VAL B 115 9.726 3.091 0.345 1.00 0.00 H new ATOM 0 HG11 VAL B 115 11.161 1.581 1.639 1.00 0.00 H new ATOM 0 HG12 VAL B 115 11.152 1.172 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL B 115 12.546 2.025 0.613 1.00 0.00 H new ATOM 0 HG21 VAL B 115 10.873 3.909 2.373 1.00 0.00 H new ATOM 0 HG22 VAL B 115 12.234 4.464 1.370 1.00 0.00 H new ATOM 0 HG23 VAL B 115 10.628 5.208 1.181 1.00 0.00 H new ATOM 1887 N ASP B 116 9.689 2.419 -2.406 1.00 0.00 N ATOM 1888 CA ASP B 116 9.314 1.414 -3.395 1.00 0.00 C ATOM 1889 C ASP B 116 9.964 1.703 -4.743 1.00 0.00 C ATOM 1890 O ASP B 116 10.323 0.783 -5.483 1.00 0.00 O ATOM 1891 CB ASP B 116 7.793 1.368 -3.557 1.00 0.00 C ATOM 1892 CG ASP B 116 7.335 0.324 -4.559 1.00 0.00 C ATOM 1893 OD1 ASP B 116 7.459 -0.888 -4.271 1.00 0.00 O ATOM 1894 OD2 ASP B 116 6.828 0.707 -5.634 1.00 0.00 O ATOM 0 H ASP B 116 8.900 2.906 -1.982 1.00 0.00 H new ATOM 0 HA ASP B 116 9.668 0.447 -3.039 1.00 0.00 H new ATOM 0 HB2 ASP B 116 7.336 1.160 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP B 116 7.437 2.348 -3.874 1.00 0.00 H new ATOM 1899 N LYS B 117 10.139 2.984 -5.055 1.00 0.00 N ATOM 1900 CA LYS B 117 10.699 3.364 -6.340 1.00 0.00 C ATOM 1901 C LYS B 117 12.199 3.084 -6.384 1.00 0.00 C ATOM 1902 O LYS B 117 12.722 2.669 -7.417 1.00 0.00 O ATOM 1903 CB LYS B 117 10.415 4.833 -6.659 1.00 0.00 C ATOM 1904 CG LYS B 117 10.187 5.077 -8.142 1.00 0.00 C ATOM 1905 CD LYS B 117 8.900 4.408 -8.613 1.00 0.00 C ATOM 1906 CE LYS B 117 9.012 3.909 -10.047 1.00 0.00 C ATOM 1907 NZ LYS B 117 9.158 5.016 -11.023 1.00 0.00 N ATOM 0 H LYS B 117 9.903 3.764 -4.442 1.00 0.00 H new ATOM 0 HA LYS B 117 10.214 2.756 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS B 117 9.536 5.158 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS B 117 11.252 5.443 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS B 117 10.136 6.149 -8.334 1.00 0.00 H new ATOM 0 HG3 LYS B 117 11.032 4.691 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS B 117 8.664 3.572 -7.955 1.00 0.00 H new ATOM 0 HD3 LYS B 117 8.074 5.116 -8.538 1.00 0.00 H new ATOM 0 HE2 LYS B 117 9.869 3.240 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS B 117 8.126 3.324 -10.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 9.349 4.624 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 8.280 5.573 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 9.948 5.629 -10.737 1.00 0.00 H new ATOM 1921 N LEU B 118 12.896 3.284 -5.267 1.00 0.00 N ATOM 1922 CA LEU B 118 14.322 2.969 -5.212 1.00 0.00 C ATOM 1923 C LEU B 118 14.542 1.491 -5.446 1.00 0.00 C ATOM 1924 O LEU B 118 15.469 1.094 -6.143 1.00 0.00 O ATOM 1925 CB LEU B 118 14.947 3.306 -3.867 1.00 0.00 C ATOM 1926 CG LEU B 118 14.800 4.736 -3.370 1.00 0.00 C ATOM 1927 CD1 LEU B 118 15.708 4.930 -2.174 1.00 0.00 C ATOM 1928 CD2 LEU B 118 15.137 5.735 -4.462 1.00 0.00 C ATOM 0 H LEU B 118 12.505 3.656 -4.402 1.00 0.00 H new ATOM 0 HA LEU B 118 14.792 3.574 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU B 118 14.515 2.642 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU B 118 16.011 3.075 -3.922 1.00 0.00 H new ATOM 0 HG LEU B 118 13.764 4.910 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU B 118 15.613 5.952 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU B 118 15.425 4.233 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU B 118 16.741 4.745 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU B 118 15.023 6.748 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU B 118 16.166 5.585 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU B 118 14.464 5.591 -5.307 1.00 0.00 H new ATOM 1940 N LEU B 119 13.690 0.685 -4.833 1.00 0.00 N ATOM 1941 CA LEU B 119 13.765 -0.764 -4.947 1.00 0.00 C ATOM 1942 C LEU B 119 13.455 -1.201 -6.372 1.00 0.00 C ATOM 1943 O LEU B 119 13.883 -2.268 -6.823 1.00 0.00 O ATOM 1944 CB LEU B 119 12.780 -1.414 -3.970 1.00 0.00 C ATOM 1945 CG LEU B 119 13.275 -1.574 -2.514 1.00 0.00 C ATOM 1946 CD1 LEU B 119 14.436 -2.556 -2.449 1.00 0.00 C ATOM 1947 CD2 LEU B 119 13.688 -0.237 -1.904 1.00 0.00 C ATOM 0 H LEU B 119 12.927 1.016 -4.242 1.00 0.00 H new ATOM 0 HA LEU B 119 14.777 -1.084 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU B 119 11.866 -0.821 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU B 119 12.516 -2.400 -4.353 1.00 0.00 H new ATOM 0 HG LEU B 119 12.441 -1.965 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU B 119 14.771 -2.656 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU B 119 14.112 -3.528 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU B 119 15.258 -2.189 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU B 119 14.029 -0.394 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU B 119 14.495 0.198 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU B 119 12.835 0.441 -1.902 1.00 0.00 H new ATOM 1959 N ALA B 120 12.726 -0.354 -7.080 1.00 0.00 N ATOM 1960 CA ALA B 120 12.328 -0.636 -8.447 1.00 0.00 C ATOM 1961 C ALA B 120 13.438 -0.252 -9.419 1.00 0.00 C ATOM 1962 O ALA B 120 13.767 -1.007 -10.331 1.00 0.00 O ATOM 1963 CB ALA B 120 11.033 0.094 -8.760 1.00 0.00 C ATOM 0 H ALA B 120 12.396 0.543 -6.725 1.00 0.00 H new ATOM 0 HA ALA B 120 12.155 -1.706 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.735 -0.118 -9.787 1.00 0.00 H new ATOM 0 HB2 ALA B 120 10.252 -0.242 -8.078 1.00 0.00 H new ATOM 0 HB3 ALA B 120 11.182 1.167 -8.640 1.00 0.00 H new ATOM 1969 N LEU B 121 14.020 0.926 -9.207 1.00 0.00 N ATOM 1970 CA LEU B 121 15.186 1.363 -9.971 1.00 0.00 C ATOM 1971 C LEU B 121 16.400 0.533 -9.594 1.00 0.00 C ATOM 1972 O LEU B 121 17.353 0.405 -10.363 1.00 0.00 O ATOM 1973 CB LEU B 121 15.506 2.829 -9.678 1.00 0.00 C ATOM 1974 CG LEU B 121 14.718 3.882 -10.461 1.00 0.00 C ATOM 1975 CD1 LEU B 121 13.220 3.707 -10.287 1.00 0.00 C ATOM 1976 CD2 LEU B 121 15.140 5.268 -10.010 1.00 0.00 C ATOM 0 H LEU B 121 13.701 1.598 -8.509 1.00 0.00 H new ATOM 0 HA LEU B 121 14.954 1.239 -11.029 1.00 0.00 H new ATOM 0 HB2 LEU B 121 15.343 3.005 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU B 121 16.567 2.989 -9.869 1.00 0.00 H new ATOM 0 HG LEU B 121 14.940 3.756 -11.521 1.00 0.00 H new ATOM 0 HD11 LEU B 121 12.695 4.473 -10.858 1.00 0.00 H new ATOM 0 HD12 LEU B 121 12.925 2.721 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU B 121 12.963 3.801 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU B 121 14.579 6.018 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU B 121 14.938 5.381 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU B 121 16.206 5.401 -10.194 1.00 0.00 H new ATOM 1988 N GLY B 122 16.355 -0.013 -8.391 1.00 0.00 N ATOM 1989 CA GLY B 122 17.483 -0.725 -7.850 1.00 0.00 C ATOM 1990 C GLY B 122 18.580 0.218 -7.417 1.00 0.00 C ATOM 1991 O GLY B 122 19.763 -0.084 -7.555 1.00 0.00 O ATOM 0 H GLY B 122 15.544 0.027 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY B 122 17.161 -1.325 -6.999 1.00 0.00 H new ATOM 0 HA3 GLY B 122 17.871 -1.416 -8.598 1.00 0.00 H new ATOM 1995 N LEU B 123 18.178 1.378 -6.902 1.00 0.00 N ATOM 1996 CA LEU B 123 19.122 2.353 -6.384 1.00 0.00 C ATOM 1997 C LEU B 123 19.601 1.895 -5.019 1.00 0.00 C ATOM 1998 O LEU B 123 20.676 2.267 -4.551 1.00 0.00 O ATOM 1999 CB LEU B 123 18.472 3.737 -6.303 1.00 0.00 C ATOM 2000 CG LEU B 123 18.175 4.397 -7.655 1.00 0.00 C ATOM 2001 CD1 LEU B 123 17.583 5.784 -7.461 1.00 0.00 C ATOM 2002 CD2 LEU B 123 19.437 4.477 -8.506 1.00 0.00 C ATOM 0 H LEU B 123 17.201 1.662 -6.834 1.00 0.00 H new ATOM 0 HA LEU B 123 19.977 2.431 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU B 123 17.539 3.651 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU B 123 19.126 4.395 -5.731 1.00 0.00 H new ATOM 0 HG LEU B 123 17.444 3.779 -8.176 1.00 0.00 H new ATOM 0 HD11 LEU B 123 17.381 6.233 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU B 123 16.654 5.707 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU B 123 18.290 6.408 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU B 123 19.203 4.949 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU B 123 20.191 5.067 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU B 123 19.821 3.472 -8.682 1.00 0.00 H new ATOM 2014 N VAL B 124 18.776 1.071 -4.400 1.00 0.00 N ATOM 2015 CA VAL B 124 19.112 0.412 -3.154 1.00 0.00 C ATOM 2016 C VAL B 124 18.673 -1.036 -3.220 1.00 0.00 C ATOM 2017 O VAL B 124 17.901 -1.421 -4.097 1.00 0.00 O ATOM 2018 CB VAL B 124 18.434 1.074 -1.941 1.00 0.00 C ATOM 2019 CG1 VAL B 124 18.901 2.509 -1.788 1.00 0.00 C ATOM 2020 CG2 VAL B 124 16.920 1.003 -2.074 1.00 0.00 C ATOM 0 H VAL B 124 17.847 0.839 -4.751 1.00 0.00 H new ATOM 0 HA VAL B 124 20.191 0.492 -3.025 1.00 0.00 H new ATOM 0 HB VAL B 124 18.720 0.529 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL B 124 18.411 2.961 -0.925 1.00 0.00 H new ATOM 0 HG12 VAL B 124 19.981 2.527 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL B 124 18.647 3.072 -2.686 1.00 0.00 H new ATOM 0 HG21 VAL B 124 16.456 1.475 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL B 124 16.610 1.522 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL B 124 16.608 -0.040 -2.129 1.00 0.00 H new ATOM 2030 N ALA B 125 19.158 -1.827 -2.291 1.00 0.00 N ATOM 2031 CA ALA B 125 18.782 -3.226 -2.214 1.00 0.00 C ATOM 2032 C ALA B 125 17.883 -3.450 -1.012 1.00 0.00 C ATOM 2033 O ALA B 125 17.319 -4.527 -0.826 1.00 0.00 O ATOM 2034 CB ALA B 125 20.020 -4.101 -2.131 1.00 0.00 C ATOM 0 H ALA B 125 19.817 -1.527 -1.573 1.00 0.00 H new ATOM 0 HA ALA B 125 18.234 -3.499 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA B 125 19.722 -5.148 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA B 125 20.635 -3.947 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA B 125 20.593 -3.838 -1.242 1.00 0.00 H new ATOM 2040 N GLU B 126 17.744 -2.406 -0.210 1.00 0.00 N ATOM 2041 CA GLU B 126 16.997 -2.478 1.030 1.00 0.00 C ATOM 2042 C GLU B 126 16.725 -1.076 1.544 1.00 0.00 C ATOM 2043 O GLU B 126 17.211 -0.106 0.971 1.00 0.00 O ATOM 2044 CB GLU B 126 17.791 -3.262 2.062 1.00 0.00 C ATOM 2045 CG GLU B 126 19.109 -2.604 2.420 1.00 0.00 C ATOM 2046 CD GLU B 126 19.946 -3.489 3.314 1.00 0.00 C ATOM 2047 OE1 GLU B 126 19.793 -3.401 4.550 1.00 0.00 O ATOM 2048 OE2 GLU B 126 20.736 -4.296 2.783 1.00 0.00 O ATOM 0 H GLU B 126 18.146 -1.488 -0.402 1.00 0.00 H new ATOM 0 HA GLU B 126 16.048 -2.984 0.851 1.00 0.00 H new ATOM 0 HB2 GLU B 126 17.191 -3.375 2.965 1.00 0.00 H new ATOM 0 HB3 GLU B 126 17.984 -4.264 1.679 1.00 0.00 H new ATOM 0 HG2 GLU B 126 19.663 -2.378 1.509 1.00 0.00 H new ATOM 0 HG3 GLU B 126 18.919 -1.655 2.921 1.00 0.00 H new ATOM 2055 N ARG B 127 15.971 -0.973 2.630 1.00 0.00 N ATOM 2056 CA ARG B 127 15.576 0.324 3.170 1.00 0.00 C ATOM 2057 C ARG B 127 16.697 0.982 3.974 1.00 0.00 C ATOM 2058 O ARG B 127 16.740 2.201 4.092 1.00 0.00 O ATOM 2059 CB ARG B 127 14.314 0.195 4.023 1.00 0.00 C ATOM 2060 CG ARG B 127 13.023 0.201 3.217 1.00 0.00 C ATOM 2061 CD ARG B 127 12.874 -1.037 2.346 1.00 0.00 C ATOM 2062 NE ARG B 127 12.729 -2.261 3.136 1.00 0.00 N ATOM 2063 CZ ARG B 127 12.209 -3.393 2.659 1.00 0.00 C ATOM 2064 NH1 ARG B 127 11.730 -3.436 1.421 1.00 0.00 N ATOM 2065 NH2 ARG B 127 12.148 -4.474 3.427 1.00 0.00 N ATOM 0 H ARG B 127 15.619 -1.773 3.156 1.00 0.00 H new ATOM 0 HA ARG B 127 15.363 0.971 2.319 1.00 0.00 H new ATOM 0 HB2 ARG B 127 14.368 -0.730 4.597 1.00 0.00 H new ATOM 0 HB3 ARG B 127 14.287 1.015 4.741 1.00 0.00 H new ATOM 0 HG2 ARG B 127 12.174 0.267 3.897 1.00 0.00 H new ATOM 0 HG3 ARG B 127 12.996 1.090 2.587 1.00 0.00 H new ATOM 0 HD2 ARG B 127 12.005 -0.920 1.699 1.00 0.00 H new ATOM 0 HD3 ARG B 127 13.745 -1.128 1.697 1.00 0.00 H new ATOM 0 HE ARG B 127 13.043 -2.247 4.106 1.00 0.00 H new ATOM 0 HH11 ARG B 127 11.759 -2.603 0.834 1.00 0.00 H new ATOM 0 HH12 ARG B 127 11.333 -4.302 1.058 1.00 0.00 H new ATOM 0 HH21 ARG B 127 12.499 -4.440 4.384 1.00 0.00 H new ATOM 0 HH22 ARG B 127 11.750 -5.338 3.060 1.00 0.00 H new ATOM 2079 N ARG B 128 17.596 0.174 4.517 1.00 0.00 N ATOM 2080 CA ARG B 128 18.721 0.674 5.313 1.00 0.00 C ATOM 2081 C ARG B 128 19.529 1.743 4.573 1.00 0.00 C ATOM 2082 O ARG B 128 19.983 2.717 5.171 1.00 0.00 O ATOM 2083 CB ARG B 128 19.638 -0.492 5.701 1.00 0.00 C ATOM 2084 CG ARG B 128 20.986 -0.057 6.256 1.00 0.00 C ATOM 2085 CD ARG B 128 22.131 -0.453 5.332 1.00 0.00 C ATOM 2086 NE ARG B 128 22.368 -1.898 5.331 1.00 0.00 N ATOM 2087 CZ ARG B 128 23.302 -2.502 4.596 1.00 0.00 C ATOM 2088 NH1 ARG B 128 24.029 -1.808 3.726 1.00 0.00 N ATOM 2089 NH2 ARG B 128 23.490 -3.810 4.706 1.00 0.00 N ATOM 0 H ARG B 128 17.572 -0.841 4.423 1.00 0.00 H new ATOM 0 HA ARG B 128 18.307 1.140 6.207 1.00 0.00 H new ATOM 0 HB2 ARG B 128 19.132 -1.108 6.444 1.00 0.00 H new ATOM 0 HB3 ARG B 128 19.802 -1.120 4.825 1.00 0.00 H new ATOM 0 HG2 ARG B 128 20.990 1.024 6.397 1.00 0.00 H new ATOM 0 HG3 ARG B 128 21.138 -0.507 7.237 1.00 0.00 H new ATOM 0 HD2 ARG B 128 21.908 -0.123 4.318 1.00 0.00 H new ATOM 0 HD3 ARG B 128 23.040 0.062 5.642 1.00 0.00 H new ATOM 0 HE ARG B 128 21.782 -2.479 5.930 1.00 0.00 H new ATOM 0 HH11 ARG B 128 23.874 -0.806 3.617 1.00 0.00 H new ATOM 0 HH12 ARG B 128 24.742 -2.278 3.168 1.00 0.00 H new ATOM 0 HH21 ARG B 128 22.920 -4.355 5.353 1.00 0.00 H new ATOM 0 HH22 ARG B 128 24.205 -4.272 4.143 1.00 0.00 H new ATOM 2103 N GLU B 129 19.679 1.565 3.271 1.00 0.00 N ATOM 2104 CA GLU B 129 20.553 2.411 2.468 1.00 0.00 C ATOM 2105 C GLU B 129 19.997 3.821 2.268 1.00 0.00 C ATOM 2106 O GLU B 129 20.712 4.712 1.806 1.00 0.00 O ATOM 2107 CB GLU B 129 20.780 1.744 1.119 1.00 0.00 C ATOM 2108 CG GLU B 129 21.642 0.501 1.209 1.00 0.00 C ATOM 2109 CD GLU B 129 23.082 0.833 1.548 1.00 0.00 C ATOM 2110 OE1 GLU B 129 23.783 1.379 0.668 1.00 0.00 O ATOM 2111 OE2 GLU B 129 23.513 0.550 2.684 1.00 0.00 O ATOM 0 H GLU B 129 19.202 0.835 2.741 1.00 0.00 H new ATOM 0 HA GLU B 129 21.494 2.522 3.007 1.00 0.00 H new ATOM 0 HB2 GLU B 129 19.816 1.480 0.684 1.00 0.00 H new ATOM 0 HB3 GLU B 129 21.250 2.457 0.442 1.00 0.00 H new ATOM 0 HG2 GLU B 129 21.236 -0.168 1.968 1.00 0.00 H new ATOM 0 HG3 GLU B 129 21.607 -0.034 0.260 1.00 0.00 H new ATOM 2118 N LEU B 130 18.730 4.015 2.600 1.00 0.00 N ATOM 2119 CA LEU B 130 18.081 5.307 2.412 1.00 0.00 C ATOM 2120 C LEU B 130 17.772 5.973 3.750 1.00 0.00 C ATOM 2121 O LEU B 130 16.984 6.918 3.817 1.00 0.00 O ATOM 2122 CB LEU B 130 16.803 5.158 1.580 1.00 0.00 C ATOM 2123 CG LEU B 130 16.067 3.825 1.724 1.00 0.00 C ATOM 2124 CD1 LEU B 130 14.588 4.004 1.472 1.00 0.00 C ATOM 2125 CD2 LEU B 130 16.624 2.796 0.754 1.00 0.00 C ATOM 0 H LEU B 130 18.129 3.295 3.001 1.00 0.00 H new ATOM 0 HA LEU B 130 18.775 5.949 1.869 1.00 0.00 H new ATOM 0 HB2 LEU B 130 16.118 5.961 1.853 1.00 0.00 H new ATOM 0 HB3 LEU B 130 17.057 5.300 0.530 1.00 0.00 H new ATOM 0 HG LEU B 130 16.216 3.470 2.744 1.00 0.00 H new ATOM 0 HD11 LEU B 130 14.082 3.045 1.579 1.00 0.00 H new ATOM 0 HD12 LEU B 130 14.179 4.712 2.193 1.00 0.00 H new ATOM 0 HD13 LEU B 130 14.434 4.384 0.462 1.00 0.00 H new ATOM 0 HD21 LEU B 130 16.086 1.855 0.873 1.00 0.00 H new ATOM 0 HD22 LEU B 130 16.503 3.156 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU B 130 17.683 2.638 0.960 1.00 0.00 H new ATOM 2137 N TYR B 131 18.404 5.482 4.804 1.00 0.00 N ATOM 2138 CA TYR B 131 18.240 6.049 6.137 1.00 0.00 C ATOM 2139 C TYR B 131 19.592 6.456 6.682 1.00 0.00 C ATOM 2140 O TYR B 131 20.546 5.686 6.590 1.00 0.00 O ATOM 2141 CB TYR B 131 17.574 5.058 7.101 1.00 0.00 C ATOM 2142 CG TYR B 131 16.190 4.626 6.678 1.00 0.00 C ATOM 2143 CD1 TYR B 131 15.282 5.541 6.164 1.00 0.00 C ATOM 2144 CD2 TYR B 131 15.796 3.300 6.790 1.00 0.00 C ATOM 2145 CE1 TYR B 131 14.018 5.147 5.773 1.00 0.00 C ATOM 2146 CE2 TYR B 131 14.535 2.898 6.404 1.00 0.00 C ATOM 2147 CZ TYR B 131 13.649 3.824 5.893 1.00 0.00 C ATOM 2148 OH TYR B 131 12.394 3.427 5.494 1.00 0.00 O ATOM 0 H TYR B 131 19.040 4.686 4.763 1.00 0.00 H new ATOM 0 HA TYR B 131 17.590 6.920 6.053 1.00 0.00 H new ATOM 0 HB2 TYR B 131 18.207 4.175 7.193 1.00 0.00 H new ATOM 0 HB3 TYR B 131 17.515 5.513 8.090 1.00 0.00 H new ATOM 0 HD1 TYR B 131 15.569 6.578 6.068 1.00 0.00 H new ATOM 0 HD2 TYR B 131 16.488 2.572 7.186 1.00 0.00 H new ATOM 0 HE1 TYR B 131 13.322 5.871 5.375 1.00 0.00 H new ATOM 0 HE2 TYR B 131 14.242 1.863 6.501 1.00 0.00 H new ATOM 0 HH TYR B 131 12.293 2.464 5.644 1.00 0.00 H new