USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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: A 29 HIS : no HD1:sc= -0.817 K(o=0.26,f=-4.5!) USER MOD Set 1.2: A 32 TYR OH : rot -38:sc= 1.08 USER MOD Single : A 11 SER OG : rot -94:sc= 1.2 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.0857 F(o=-0.59,f=-0.086) USER MOD Single : A 16 TYR OH : rot -34:sc= 0.0187 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -66:sc= 0.757 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 125:sc= -0.0759 (180deg=-0.523) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -4.54! C(o=-6!,f=-4.5!) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.213) USER MOD Single : A 61 SER OG : rot 180:sc= -0.307 USER MOD Single : A 62 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -0.106 (180deg=-0.794) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -0.0235 (180deg=-0.235) USER MOD Single : A 67 MET CE :methyl -113:sc= -0.235 (180deg=-3.09!) USER MOD Single : A 72 TYR OH : rot -108:sc= -0.357 USER MOD Single : A 76 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 85 MET CE :methyl -118:sc=-0.00605 (180deg=-0.191) USER MOD Single : A 87 SER OG : rot 76:sc= 0.303 USER MOD Single : A 88 ASN : amide:sc= -6.57! C(o=-6.6!,f=-12!) USER MOD Single : A 89 CYS SG : rot -52:sc= -0.0219 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= -0.748 (180deg=-1.31) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.49! C(o=-6.5!,f=-8.8!) USER MOD Single : A 97 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-5.2!) USER MOD Single : A 102 MET CE :methyl -134:sc= -0.705 (180deg=-4.64!) USER MOD Single : A 105 LYS NZ :NH3+ -137:sc= 0.262 (180deg=-0.00498) USER MOD Single : A 107 GLN : amide:sc= -5.15! C(o=-5.1!,f=-11!) USER MOD Single : A 112 MET CE :methyl 165:sc= 0 (180deg=-0.263) USER MOD Single : A 116 LYS NZ :NH3+ -155:sc= -0.138 (180deg=-0.629) USER MOD Single : A 117 MET CE :methyl 161:sc= -0.997 (180deg=-2.37!) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.143 18.007 5.417 1.00 0.00 N ATOM 115 CA SER A 11 -5.028 18.601 4.423 1.00 0.00 C ATOM 116 C SER A 11 -6.478 18.203 4.680 1.00 0.00 C ATOM 117 O SER A 11 -6.762 17.071 5.070 1.00 0.00 O ATOM 118 CB SER A 11 -4.611 18.171 3.015 1.00 0.00 C ATOM 119 OG SER A 11 -4.937 19.166 2.061 1.00 0.00 O ATOM 0 HA SER A 11 -4.947 19.685 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.538 17.979 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.108 17.236 2.755 1.00 0.00 H new ATOM 0 HG SER A 11 -5.816 18.972 1.673 1.00 0.00 H new ATOM 125 N GLU A 12 -7.392 19.143 4.457 1.00 0.00 N ATOM 126 CA GLU A 12 -8.813 18.890 4.665 1.00 0.00 C ATOM 127 C GLU A 12 -9.168 17.450 4.305 1.00 0.00 C ATOM 128 O GLU A 12 -10.024 16.833 4.939 1.00 0.00 O ATOM 129 CB GLU A 12 -9.653 19.859 3.831 1.00 0.00 C ATOM 130 CG GLU A 12 -9.316 19.836 2.349 1.00 0.00 C ATOM 131 CD GLU A 12 -7.912 20.331 2.063 1.00 0.00 C ATOM 132 OE1 GLU A 12 -7.449 21.245 2.776 1.00 0.00 O ATOM 133 OE2 GLU A 12 -7.276 19.804 1.126 1.00 0.00 O ATOM 0 H GLU A 12 -7.174 20.085 4.133 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.033 19.046 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.708 19.615 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.511 20.870 4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.423 18.819 1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.032 20.454 1.808 1.00 0.00 H new ATOM 140 N HIS A 13 -8.505 16.922 3.281 1.00 0.00 N ATOM 141 CA HIS A 13 -8.750 15.555 2.835 1.00 0.00 C ATOM 142 C HIS A 13 -7.821 14.577 3.546 1.00 0.00 C ATOM 143 O HIS A 13 -8.256 13.533 4.033 1.00 0.00 O ATOM 144 CB HIS A 13 -8.560 15.448 1.321 1.00 0.00 C ATOM 145 CG HIS A 13 -9.516 16.294 0.537 1.00 0.00 C ATOM 146 ND1 HIS A 13 -10.718 16.817 0.874 1.00 0.00 N flip ATOM 147 CD2 HIS A 13 -9.279 16.690 -0.763 1.00 0.00 C flip ATOM 148 CE1 HIS A 13 -11.179 17.514 -0.215 1.00 0.00 C flip ATOM 149 NE2 HIS A 13 -10.292 17.422 -1.190 1.00 0.00 N flip ATOM 0 H HIS A 13 -7.794 17.420 2.745 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.779 15.297 3.084 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.540 15.738 1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.678 14.407 1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.402 16.440 -1.341 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -12.115 18.051 -0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.375 17.844 -2.115 1.00 0.00 H new ATOM 157 N LEU A 14 -6.539 14.920 3.602 1.00 0.00 N ATOM 158 CA LEU A 14 -5.547 14.072 4.253 1.00 0.00 C ATOM 159 C LEU A 14 -6.007 13.670 5.651 1.00 0.00 C ATOM 160 O LEU A 14 -5.921 12.502 6.032 1.00 0.00 O ATOM 161 CB LEU A 14 -4.202 14.797 4.336 1.00 0.00 C ATOM 162 CG LEU A 14 -2.976 13.912 4.567 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.878 12.844 3.489 1.00 0.00 C ATOM 164 CD2 LEU A 14 -1.710 14.755 4.601 1.00 0.00 C ATOM 0 H LEU A 14 -6.162 15.780 3.204 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.430 13.168 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.054 15.354 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.255 15.528 5.143 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.085 13.416 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.000 12.224 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.772 12.221 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.791 13.320 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.847 14.109 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.595 15.278 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.779 15.483 5.410 1.00 0.00 H new ATOM 176 N ARG A 15 -6.499 14.644 6.409 1.00 0.00 N ATOM 177 CA ARG A 15 -6.975 14.392 7.764 1.00 0.00 C ATOM 178 C ARG A 15 -8.023 13.283 7.774 1.00 0.00 C ATOM 179 O ARG A 15 -8.251 12.640 8.799 1.00 0.00 O ATOM 180 CB ARG A 15 -7.561 15.669 8.368 1.00 0.00 C ATOM 181 CG ARG A 15 -8.685 16.273 7.541 1.00 0.00 C ATOM 182 CD ARG A 15 -9.522 17.242 8.362 1.00 0.00 C ATOM 183 NE ARG A 15 -10.153 16.587 9.505 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.139 15.703 9.394 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.602 15.369 8.197 1.00 0.00 N ATOM 186 NH2 ARG A 15 -11.662 15.150 10.481 1.00 0.00 N ATOM 0 H ARG A 15 -6.579 15.615 6.108 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.126 14.071 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.934 15.450 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.766 16.406 8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.266 16.792 6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.322 15.477 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.891 18.058 8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.290 17.685 7.728 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.818 16.821 10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.201 15.791 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.359 14.690 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.307 15.403 11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.419 14.472 10.394 1.00 0.00 H new ATOM 200 N TYR A 16 -8.658 13.066 6.628 1.00 0.00 N ATOM 201 CA TYR A 16 -9.684 12.038 6.506 1.00 0.00 C ATOM 202 C TYR A 16 -9.072 10.704 6.088 1.00 0.00 C ATOM 203 O TYR A 16 -9.387 9.658 6.657 1.00 0.00 O ATOM 204 CB TYR A 16 -10.746 12.465 5.491 1.00 0.00 C ATOM 205 CG TYR A 16 -11.762 11.387 5.187 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.412 10.263 4.450 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.072 11.493 5.639 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.337 9.276 4.169 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.003 10.510 5.364 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.631 9.404 4.629 1.00 0.00 C ATOM 211 OH TYR A 16 -14.556 8.423 4.353 1.00 0.00 O ATOM 0 H TYR A 16 -8.480 13.588 5.770 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.153 11.912 7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.265 13.345 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.253 12.760 4.564 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.399 10.159 4.090 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.367 12.358 6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.049 8.409 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.017 10.607 5.723 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.374 8.041 3.469 1.00 0.00 H new ATOM 221 N CYS A 17 -8.196 10.750 5.090 1.00 0.00 N ATOM 222 CA CYS A 17 -7.539 9.546 4.594 1.00 0.00 C ATOM 223 C CYS A 17 -6.822 8.814 5.724 1.00 0.00 C ATOM 224 O CYS A 17 -6.698 7.589 5.702 1.00 0.00 O ATOM 225 CB CYS A 17 -6.544 9.903 3.489 1.00 0.00 C ATOM 226 SG CYS A 17 -7.316 10.330 1.910 1.00 0.00 S ATOM 0 H CYS A 17 -7.925 11.607 4.609 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.304 8.885 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.934 10.743 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.870 9.060 3.336 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.394 10.618 1.040 1.00 0.00 H new ATOM 232 N ASP A 18 -6.350 9.571 6.707 1.00 0.00 N ATOM 233 CA ASP A 18 -5.645 8.994 7.846 1.00 0.00 C ATOM 234 C ASP A 18 -6.419 7.813 8.423 1.00 0.00 C ATOM 235 O ASP A 18 -5.835 6.790 8.778 1.00 0.00 O ATOM 236 CB ASP A 18 -5.425 10.054 8.927 1.00 0.00 C ATOM 237 CG ASP A 18 -4.902 9.461 10.221 1.00 0.00 C ATOM 238 OD1 ASP A 18 -3.960 8.642 10.160 1.00 0.00 O ATOM 239 OD2 ASP A 18 -5.434 9.815 11.293 1.00 0.00 O ATOM 0 H ASP A 18 -6.442 10.586 6.739 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.676 8.635 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.720 10.801 8.562 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.365 10.571 9.121 1.00 0.00 H new ATOM 244 N SER A 19 -7.736 7.964 8.515 1.00 0.00 N ATOM 245 CA SER A 19 -8.590 6.912 9.053 1.00 0.00 C ATOM 246 C SER A 19 -8.645 5.718 8.105 1.00 0.00 C ATOM 247 O SER A 19 -8.497 4.570 8.525 1.00 0.00 O ATOM 248 CB SER A 19 -10.002 7.447 9.300 1.00 0.00 C ATOM 249 OG SER A 19 -10.704 7.615 8.081 1.00 0.00 O ATOM 0 H SER A 19 -8.235 8.805 8.224 1.00 0.00 H new ATOM 0 HA SER A 19 -8.164 6.582 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.547 6.758 9.945 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.946 8.400 9.826 1.00 0.00 H new ATOM 0 HG SER A 19 -10.277 8.322 7.553 1.00 0.00 H new ATOM 255 N ILE A 20 -8.860 5.998 6.824 1.00 0.00 N ATOM 256 CA ILE A 20 -8.934 4.948 5.815 1.00 0.00 C ATOM 257 C ILE A 20 -7.875 3.877 6.058 1.00 0.00 C ATOM 258 O ILE A 20 -8.056 2.715 5.690 1.00 0.00 O ATOM 259 CB ILE A 20 -8.755 5.518 4.396 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.768 6.636 4.141 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.905 4.414 3.359 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.739 7.165 2.724 1.00 0.00 C ATOM 0 H ILE A 20 -8.986 6.943 6.460 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.925 4.501 5.896 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.752 5.935 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.769 6.266 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.573 7.457 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.776 4.832 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.149 3.648 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.897 3.970 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.482 7.955 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.749 7.566 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.964 6.356 2.029 1.00 0.00 H new ATOM 274 N LEU A 21 -6.771 4.275 6.680 1.00 0.00 N ATOM 275 CA LEU A 21 -5.683 3.348 6.974 1.00 0.00 C ATOM 276 C LEU A 21 -6.001 2.509 8.207 1.00 0.00 C ATOM 277 O LEU A 21 -5.902 1.282 8.178 1.00 0.00 O ATOM 278 CB LEU A 21 -4.378 4.116 7.189 1.00 0.00 C ATOM 279 CG LEU A 21 -3.196 3.298 7.711 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.918 2.116 6.795 1.00 0.00 C ATOM 281 CD2 LEU A 21 -1.959 4.174 7.846 1.00 0.00 C ATOM 0 H LEU A 21 -6.605 5.232 6.990 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.568 2.679 6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.088 4.573 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.569 4.929 7.890 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.453 2.913 8.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.074 1.546 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.799 1.475 6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.682 2.479 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.128 3.575 8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.699 4.589 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.163 4.986 8.544 1.00 0.00 H new ATOM 293 N ARG A 22 -6.386 3.178 9.289 1.00 0.00 N ATOM 294 CA ARG A 22 -6.720 2.493 10.532 1.00 0.00 C ATOM 295 C ARG A 22 -7.810 1.450 10.303 1.00 0.00 C ATOM 296 O ARG A 22 -7.929 0.486 11.058 1.00 0.00 O ATOM 297 CB ARG A 22 -7.179 3.502 11.588 1.00 0.00 C ATOM 298 CG ARG A 22 -8.678 3.748 11.584 1.00 0.00 C ATOM 299 CD ARG A 22 -9.092 4.680 12.712 1.00 0.00 C ATOM 300 NE ARG A 22 -10.375 5.327 12.445 1.00 0.00 N ATOM 301 CZ ARG A 22 -10.900 6.267 13.222 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.256 6.669 14.309 1.00 0.00 N ATOM 303 NH2 ARG A 22 -12.071 6.808 12.912 1.00 0.00 N ATOM 0 H ARG A 22 -6.474 4.193 9.330 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.824 1.985 10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.881 3.145 12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.664 4.448 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.975 4.178 10.627 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.204 2.799 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.157 4.116 13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.325 5.441 12.853 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.896 5.041 11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.355 6.256 14.550 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.662 7.391 14.904 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.569 6.502 12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.473 7.530 13.510 1.00 0.00 H new ATOM 317 N GLU A 23 -8.604 1.652 9.256 1.00 0.00 N ATOM 318 CA GLU A 23 -9.685 0.729 8.928 1.00 0.00 C ATOM 319 C GLU A 23 -9.150 -0.499 8.198 1.00 0.00 C ATOM 320 O GLU A 23 -9.438 -1.634 8.576 1.00 0.00 O ATOM 321 CB GLU A 23 -10.739 1.429 8.068 1.00 0.00 C ATOM 322 CG GLU A 23 -11.551 0.476 7.207 1.00 0.00 C ATOM 323 CD GLU A 23 -12.485 -0.396 8.023 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.027 -0.974 9.031 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.673 -0.502 7.654 1.00 0.00 O ATOM 0 H GLU A 23 -8.519 2.446 8.621 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.145 0.403 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.415 1.985 8.717 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.246 2.157 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.133 1.050 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.873 -0.159 6.636 1.00 0.00 H new ATOM 332 N MET A 24 -8.368 -0.262 7.149 1.00 0.00 N ATOM 333 CA MET A 24 -7.792 -1.349 6.366 1.00 0.00 C ATOM 334 C MET A 24 -6.961 -2.274 7.249 1.00 0.00 C ATOM 335 O MET A 24 -6.743 -3.439 6.913 1.00 0.00 O ATOM 336 CB MET A 24 -6.925 -0.788 5.237 1.00 0.00 C ATOM 337 CG MET A 24 -7.729 -0.183 4.097 1.00 0.00 C ATOM 338 SD MET A 24 -6.863 -0.263 2.518 1.00 0.00 S ATOM 339 CE MET A 24 -5.720 1.106 2.688 1.00 0.00 C ATOM 0 H MET A 24 -8.119 0.672 6.822 1.00 0.00 H new ATOM 0 HA MET A 24 -8.610 -1.926 5.934 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.259 -0.027 5.645 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.295 -1.585 4.843 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.681 -0.706 4.012 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.956 0.857 4.330 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.112 1.186 1.787 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.279 2.031 2.832 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.073 0.935 3.549 1.00 0.00 H new ATOM 349 N LEU A 25 -6.499 -1.749 8.378 1.00 0.00 N ATOM 350 CA LEU A 25 -5.691 -2.529 9.310 1.00 0.00 C ATOM 351 C LEU A 25 -6.568 -3.198 10.364 1.00 0.00 C ATOM 352 O LEU A 25 -6.175 -3.326 11.523 1.00 0.00 O ATOM 353 CB LEU A 25 -4.653 -1.633 9.988 1.00 0.00 C ATOM 354 CG LEU A 25 -3.351 -1.412 9.217 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.608 -0.201 9.761 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.474 -2.653 9.285 1.00 0.00 C ATOM 0 H LEU A 25 -6.670 -0.787 8.671 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.178 -3.307 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.109 -0.661 10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.408 -2.065 10.959 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.597 -1.223 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.684 -0.059 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.234 0.686 9.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.373 -0.361 10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.552 -2.478 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.236 -2.874 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.005 -3.498 8.847 1.00 0.00 H new ATOM 368 N SER A 26 -7.758 -3.624 9.951 1.00 0.00 N ATOM 369 CA SER A 26 -8.692 -4.279 10.860 1.00 0.00 C ATOM 370 C SER A 26 -8.658 -5.793 10.675 1.00 0.00 C ATOM 371 O SER A 26 -8.415 -6.291 9.575 1.00 0.00 O ATOM 372 CB SER A 26 -10.111 -3.757 10.629 1.00 0.00 C ATOM 373 OG SER A 26 -11.062 -4.537 11.333 1.00 0.00 O ATOM 0 H SER A 26 -8.098 -3.527 8.994 1.00 0.00 H new ATOM 0 HA SER A 26 -8.390 -4.049 11.882 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.177 -2.718 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.339 -3.774 9.563 1.00 0.00 H new ATOM 0 HG SER A 26 -11.961 -4.182 11.170 1.00 0.00 H new ATOM 379 N LYS A 27 -8.905 -6.521 11.759 1.00 0.00 N ATOM 380 CA LYS A 27 -8.905 -7.979 11.719 1.00 0.00 C ATOM 381 C LYS A 27 -9.797 -8.492 10.593 1.00 0.00 C ATOM 382 O LYS A 27 -9.406 -9.376 9.831 1.00 0.00 O ATOM 383 CB LYS A 27 -9.378 -8.546 13.059 1.00 0.00 C ATOM 384 CG LYS A 27 -9.525 -10.058 13.062 1.00 0.00 C ATOM 385 CD LYS A 27 -8.172 -10.749 13.035 1.00 0.00 C ATOM 386 CE LYS A 27 -8.303 -12.216 12.653 1.00 0.00 C ATOM 387 NZ LYS A 27 -8.806 -12.384 11.262 1.00 0.00 N ATOM 0 H LYS A 27 -9.108 -6.125 12.677 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.885 -8.313 11.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.671 -8.257 13.836 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.337 -8.096 13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.076 -10.369 13.949 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.111 -10.369 12.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.518 -10.244 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.701 -10.668 14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.333 -12.704 12.750 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.981 -12.713 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.144 -12.978 10.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.741 -12.839 11.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.885 -11.452 10.806 1.00 0.00 H new ATOM 401 N LYS A 28 -10.997 -7.932 10.494 1.00 0.00 N ATOM 402 CA LYS A 28 -11.945 -8.330 9.460 1.00 0.00 C ATOM 403 C LYS A 28 -11.278 -8.348 8.088 1.00 0.00 C ATOM 404 O LYS A 28 -11.260 -9.375 7.409 1.00 0.00 O ATOM 405 CB LYS A 28 -13.143 -7.378 9.443 1.00 0.00 C ATOM 406 CG LYS A 28 -14.081 -7.602 8.270 1.00 0.00 C ATOM 407 CD LYS A 28 -14.788 -6.318 7.869 1.00 0.00 C ATOM 408 CE LYS A 28 -15.865 -5.937 8.873 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.371 -4.555 8.647 1.00 0.00 N ATOM 0 H LYS A 28 -11.337 -7.200 11.118 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.292 -9.337 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.702 -7.494 10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.780 -6.351 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.517 -7.989 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.820 -8.359 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.060 -5.510 7.790 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.236 -6.441 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.693 -6.643 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.464 -6.016 9.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.103 -4.334 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.586 -3.879 8.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.777 -4.486 7.692 1.00 0.00 H new ATOM 423 N HIS A 29 -10.729 -7.206 7.687 1.00 0.00 N ATOM 424 CA HIS A 29 -10.058 -7.092 6.397 1.00 0.00 C ATOM 425 C HIS A 29 -8.726 -7.835 6.409 1.00 0.00 C ATOM 426 O HIS A 29 -8.160 -8.133 5.358 1.00 0.00 O ATOM 427 CB HIS A 29 -9.832 -5.622 6.044 1.00 0.00 C ATOM 428 CG HIS A 29 -11.080 -4.796 6.089 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.301 -5.251 5.636 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.294 -3.537 6.540 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.210 -4.307 5.804 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.625 -3.257 6.351 1.00 0.00 N ATOM 0 H HIS A 29 -10.736 -6.347 8.236 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.699 -7.545 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.102 -5.199 6.734 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.400 -5.559 5.045 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.555 -2.876 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.254 -4.381 5.539 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.087 -2.380 6.594 1.00 0.00 H new ATOM 440 N ALA A 30 -8.230 -8.132 7.606 1.00 0.00 N ATOM 441 CA ALA A 30 -6.966 -8.841 7.756 1.00 0.00 C ATOM 442 C ALA A 30 -6.976 -10.152 6.976 1.00 0.00 C ATOM 443 O ALA A 30 -5.931 -10.764 6.758 1.00 0.00 O ATOM 444 CB ALA A 30 -6.677 -9.102 9.227 1.00 0.00 C ATOM 0 H ALA A 30 -8.685 -7.892 8.487 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.175 -8.212 7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.730 -9.632 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.617 -8.153 9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.477 -9.708 9.653 1.00 0.00 H new ATOM 450 N ALA A 31 -8.164 -10.577 6.559 1.00 0.00 N ATOM 451 CA ALA A 31 -8.310 -11.815 5.802 1.00 0.00 C ATOM 452 C ALA A 31 -7.780 -11.655 4.381 1.00 0.00 C ATOM 453 O ALA A 31 -7.176 -12.573 3.827 1.00 0.00 O ATOM 454 CB ALA A 31 -9.767 -12.250 5.778 1.00 0.00 C ATOM 0 H ALA A 31 -9.039 -10.083 6.732 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.720 -12.586 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.861 -13.175 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.115 -12.414 6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.371 -11.473 5.309 1.00 0.00 H new ATOM 460 N TYR A 32 -8.011 -10.484 3.797 1.00 0.00 N ATOM 461 CA TYR A 32 -7.559 -10.206 2.439 1.00 0.00 C ATOM 462 C TYR A 32 -6.700 -8.946 2.398 1.00 0.00 C ATOM 463 O TYR A 32 -6.582 -8.295 1.360 1.00 0.00 O ATOM 464 CB TYR A 32 -8.758 -10.049 1.502 1.00 0.00 C ATOM 465 CG TYR A 32 -9.944 -9.368 2.146 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.971 -7.989 2.316 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.039 -10.103 2.584 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.052 -7.363 2.904 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.126 -9.485 3.172 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.127 -8.115 3.330 1.00 0.00 C ATOM 471 OH TYR A 32 -13.207 -7.494 3.915 1.00 0.00 O ATOM 0 H TYR A 32 -8.508 -9.713 4.243 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.953 -11.048 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.452 -9.476 0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.063 -11.034 1.148 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.132 -7.397 1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.040 -11.176 2.463 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.056 -6.290 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.969 -10.071 3.506 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.894 -6.757 4.480 1.00 0.00 H new ATOM 481 N ALA A 33 -6.101 -8.609 3.536 1.00 0.00 N ATOM 482 CA ALA A 33 -5.251 -7.429 3.631 1.00 0.00 C ATOM 483 C ALA A 33 -3.959 -7.742 4.377 1.00 0.00 C ATOM 484 O ALA A 33 -3.159 -6.849 4.655 1.00 0.00 O ATOM 485 CB ALA A 33 -5.997 -6.294 4.317 1.00 0.00 C ATOM 0 H ALA A 33 -6.189 -9.137 4.404 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.990 -7.118 2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.350 -5.419 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.888 -6.044 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.288 -6.604 5.321 1.00 0.00 H new ATOM 491 N TRP A 34 -3.762 -9.015 4.700 1.00 0.00 N ATOM 492 CA TRP A 34 -2.566 -9.446 5.416 1.00 0.00 C ATOM 493 C TRP A 34 -1.392 -9.623 4.459 1.00 0.00 C ATOM 494 O TRP A 34 -0.229 -9.447 4.821 1.00 0.00 O ATOM 495 CB TRP A 34 -2.835 -10.756 6.159 1.00 0.00 C ATOM 496 CG TRP A 34 -3.042 -11.926 5.245 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.236 -12.450 4.841 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.023 -12.717 4.623 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.022 -13.520 4.006 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.673 -13.703 3.855 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.626 -12.687 4.638 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.972 -14.649 3.112 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.068 -13.627 3.900 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.605 -14.597 3.145 1.00 0.00 C ATOM 0 H TRP A 34 -4.414 -9.767 4.478 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.308 -8.672 6.139 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.997 -10.967 6.824 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.717 -10.634 6.787 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.206 -12.078 5.135 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.750 -14.086 3.569 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.098 -11.943 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.489 -15.398 2.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.148 -13.614 3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.034 -15.317 2.578 1.00 0.00 H new ATOM 515 N PRO A 35 -1.700 -9.978 3.203 1.00 0.00 N ATOM 516 CA PRO A 35 -0.598 -10.157 2.253 1.00 0.00 C ATOM 517 C PRO A 35 0.389 -8.995 2.285 1.00 0.00 C ATOM 518 O PRO A 35 1.527 -9.120 1.832 1.00 0.00 O ATOM 519 CB PRO A 35 -1.305 -10.221 0.897 1.00 0.00 C ATOM 520 CG PRO A 35 -2.676 -10.713 1.208 1.00 0.00 C ATOM 521 CD PRO A 35 -3.013 -10.232 2.586 1.00 0.00 C ATOM 0 HA PRO A 35 -0.003 -11.042 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.335 -9.242 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.789 -10.894 0.213 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.395 -10.335 0.481 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.715 -11.801 1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.622 -9.328 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.578 -10.979 3.143 1.00 0.00 H new ATOM 529 N PHE A 36 -0.054 -7.863 2.823 1.00 0.00 N ATOM 530 CA PHE A 36 0.790 -6.678 2.914 1.00 0.00 C ATOM 531 C PHE A 36 1.305 -6.484 4.337 1.00 0.00 C ATOM 532 O PHE A 36 2.378 -5.919 4.549 1.00 0.00 O ATOM 533 CB PHE A 36 0.014 -5.437 2.467 1.00 0.00 C ATOM 534 CG PHE A 36 -0.599 -5.574 1.102 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.792 -6.258 0.930 1.00 0.00 C ATOM 536 CD2 PHE A 36 0.016 -5.017 -0.007 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.358 -6.385 -0.325 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.545 -5.141 -1.264 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.734 -5.825 -1.423 1.00 0.00 C ATOM 0 H PHE A 36 -0.993 -7.742 3.202 1.00 0.00 H new ATOM 0 HA PHE A 36 1.645 -6.821 2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.774 -5.230 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.685 -4.578 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.285 -6.696 1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.945 -4.479 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.287 -6.922 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.054 -4.704 -2.121 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.175 -5.922 -2.404 1.00 0.00 H new ATOM 549 N TYR A 37 0.531 -6.955 5.309 1.00 0.00 N ATOM 550 CA TYR A 37 0.906 -6.832 6.712 1.00 0.00 C ATOM 551 C TYR A 37 2.407 -7.036 6.895 1.00 0.00 C ATOM 552 O TYR A 37 3.143 -6.094 7.189 1.00 0.00 O ATOM 553 CB TYR A 37 0.135 -7.845 7.559 1.00 0.00 C ATOM 554 CG TYR A 37 -1.199 -7.333 8.052 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.991 -6.518 7.251 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.668 -7.661 9.318 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.211 -6.047 7.697 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.887 -7.195 9.772 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.654 -6.388 8.958 1.00 0.00 C ATOM 560 OH TYR A 37 -4.868 -5.921 9.407 1.00 0.00 O ATOM 0 H TYR A 37 -0.360 -7.425 5.150 1.00 0.00 H new ATOM 0 HA TYR A 37 0.652 -5.825 7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.027 -8.749 6.971 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.745 -8.128 8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.647 -6.249 6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.069 -8.291 9.959 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.814 -5.415 7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.237 -7.461 10.758 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.031 -6.254 10.314 1.00 0.00 H new ATOM 570 N LYS A 38 2.854 -8.275 6.719 1.00 0.00 N ATOM 571 CA LYS A 38 4.267 -8.606 6.863 1.00 0.00 C ATOM 572 C LYS A 38 5.090 -7.974 5.745 1.00 0.00 C ATOM 573 O LYS A 38 4.665 -7.905 4.591 1.00 0.00 O ATOM 574 CB LYS A 38 4.459 -10.124 6.856 1.00 0.00 C ATOM 575 CG LYS A 38 3.733 -10.834 7.985 1.00 0.00 C ATOM 576 CD LYS A 38 4.361 -12.183 8.291 1.00 0.00 C ATOM 577 CE LYS A 38 3.766 -12.803 9.546 1.00 0.00 C ATOM 578 NZ LYS A 38 4.268 -14.187 9.772 1.00 0.00 N ATOM 0 H LYS A 38 2.258 -9.067 6.476 1.00 0.00 H new ATOM 0 HA LYS A 38 4.613 -8.206 7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.109 -10.522 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.524 -10.347 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.752 -10.211 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.686 -10.972 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.212 -12.855 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.437 -12.064 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.010 -12.183 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.679 -12.820 9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.839 -14.575 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.013 -14.786 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.303 -14.168 9.877 1.00 0.00 H new ATOM 592 N PRO A 39 6.297 -7.502 6.091 1.00 0.00 N ATOM 593 CA PRO A 39 7.205 -6.869 5.131 1.00 0.00 C ATOM 594 C PRO A 39 7.775 -7.867 4.128 1.00 0.00 C ATOM 595 O PRO A 39 7.832 -9.067 4.395 1.00 0.00 O ATOM 596 CB PRO A 39 8.320 -6.305 6.015 1.00 0.00 C ATOM 597 CG PRO A 39 8.304 -7.159 7.236 1.00 0.00 C ATOM 598 CD PRO A 39 6.868 -7.551 7.448 1.00 0.00 C ATOM 0 HA PRO A 39 6.699 -6.116 4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.286 -6.352 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.139 -5.259 6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.934 -8.039 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.691 -6.615 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.783 -8.546 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.359 -6.863 8.123 1.00 0.00 H new ATOM 606 N VAL A 40 8.196 -7.362 2.972 1.00 0.00 N ATOM 607 CA VAL A 40 8.763 -8.209 1.929 1.00 0.00 C ATOM 608 C VAL A 40 10.284 -8.253 2.023 1.00 0.00 C ATOM 609 O VAL A 40 10.945 -7.215 2.038 1.00 0.00 O ATOM 610 CB VAL A 40 8.360 -7.718 0.526 1.00 0.00 C ATOM 611 CG1 VAL A 40 9.038 -6.394 0.209 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.700 -8.765 -0.523 1.00 0.00 C ATOM 0 H VAL A 40 8.155 -6.371 2.735 1.00 0.00 H new ATOM 0 HA VAL A 40 8.363 -9.211 2.083 1.00 0.00 H new ATOM 0 HB VAL A 40 7.282 -7.560 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.742 -6.063 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.739 -5.647 0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.120 -6.522 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.408 -8.401 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.773 -8.958 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.163 -9.688 -0.303 1.00 0.00 H new ATOM 622 N ASP A 41 10.832 -9.461 2.086 1.00 0.00 N ATOM 623 CA ASP A 41 12.277 -9.641 2.177 1.00 0.00 C ATOM 624 C ASP A 41 12.761 -10.670 1.160 1.00 0.00 C ATOM 625 O ASP A 41 12.536 -11.869 1.320 1.00 0.00 O ATOM 626 CB ASP A 41 12.670 -10.078 3.589 1.00 0.00 C ATOM 627 CG ASP A 41 14.056 -9.603 3.977 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.040 -10.274 3.599 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.158 -8.562 4.659 1.00 0.00 O ATOM 0 H ASP A 41 10.298 -10.330 2.076 1.00 0.00 H new ATOM 0 HA ASP A 41 12.752 -8.685 1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.943 -9.689 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.630 -11.165 3.654 1.00 0.00 H new ATOM 634 N ALA A 42 13.426 -10.192 0.113 1.00 0.00 N ATOM 635 CA ALA A 42 13.942 -11.070 -0.930 1.00 0.00 C ATOM 636 C ALA A 42 14.933 -12.078 -0.357 1.00 0.00 C ATOM 637 O ALA A 42 14.965 -13.235 -0.774 1.00 0.00 O ATOM 638 CB ALA A 42 14.597 -10.251 -2.032 1.00 0.00 C ATOM 0 H ALA A 42 13.620 -9.202 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 42 13.104 -11.624 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.978 -10.919 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.862 -9.574 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.421 -9.672 -1.614 1.00 0.00 H new ATOM 751 N TYR A 50 13.391 -10.210 -5.857 1.00 0.00 N ATOM 752 CA TYR A 50 12.152 -9.473 -5.638 1.00 0.00 C ATOM 753 C TYR A 50 12.219 -8.091 -6.281 1.00 0.00 C ATOM 754 O TYR A 50 11.344 -7.713 -7.060 1.00 0.00 O ATOM 755 CB TYR A 50 11.872 -9.338 -4.140 1.00 0.00 C ATOM 756 CG TYR A 50 10.610 -8.566 -3.827 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.358 -9.110 -4.087 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.669 -7.294 -3.272 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.202 -8.409 -3.804 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.518 -6.586 -2.984 1.00 0.00 C ATOM 761 CZ TYR A 50 8.287 -7.148 -3.252 1.00 0.00 C ATOM 762 OH TYR A 50 7.139 -6.445 -2.968 1.00 0.00 O ATOM 0 HA TYR A 50 11.340 -10.031 -6.104 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.797 -10.333 -3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.718 -8.843 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.288 -10.098 -4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.631 -6.851 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.237 -8.846 -4.014 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.582 -5.598 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 50 7.375 -5.575 -2.583 1.00 0.00 H new ATOM 772 N HIS A 51 13.266 -7.342 -5.950 1.00 0.00 N ATOM 773 CA HIS A 51 13.450 -6.001 -6.495 1.00 0.00 C ATOM 774 C HIS A 51 13.493 -6.037 -8.020 1.00 0.00 C ATOM 775 O HIS A 51 12.804 -5.265 -8.688 1.00 0.00 O ATOM 776 CB HIS A 51 14.736 -5.379 -5.951 1.00 0.00 C ATOM 777 CG HIS A 51 14.798 -5.341 -4.455 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.859 -4.695 -3.679 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.693 -5.877 -3.592 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.175 -4.833 -2.404 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.283 -5.547 -2.324 1.00 0.00 N ATOM 0 H HIS A 51 14.000 -7.640 -5.307 1.00 0.00 H new ATOM 0 HA HIS A 51 12.602 -5.390 -6.187 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.590 -5.943 -6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.830 -4.364 -6.336 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.567 -6.456 -3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.621 -4.430 -1.569 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.757 -5.811 -1.460 1.00 0.00 H new ATOM 789 N ASP A 52 14.306 -6.935 -8.563 1.00 0.00 N ATOM 790 CA ASP A 52 14.438 -7.071 -10.009 1.00 0.00 C ATOM 791 C ASP A 52 13.088 -6.896 -10.697 1.00 0.00 C ATOM 792 O ASP A 52 13.008 -6.351 -11.799 1.00 0.00 O ATOM 793 CB ASP A 52 15.032 -8.436 -10.362 1.00 0.00 C ATOM 794 CG ASP A 52 16.511 -8.525 -10.042 1.00 0.00 C ATOM 795 OD1 ASP A 52 17.097 -7.493 -9.654 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.082 -9.627 -10.177 1.00 0.00 O ATOM 0 H ASP A 52 14.884 -7.580 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 52 15.109 -6.289 -10.363 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.498 -9.213 -9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.881 -8.631 -11.424 1.00 0.00 H new ATOM 801 N ILE A 53 12.031 -7.362 -10.042 1.00 0.00 N ATOM 802 CA ILE A 53 10.685 -7.257 -10.591 1.00 0.00 C ATOM 803 C ILE A 53 9.999 -5.977 -10.124 1.00 0.00 C ATOM 804 O ILE A 53 9.437 -5.233 -10.928 1.00 0.00 O ATOM 805 CB ILE A 53 9.818 -8.466 -10.192 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.471 -9.767 -10.661 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.419 -8.329 -10.774 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.140 -10.958 -9.789 1.00 0.00 C ATOM 0 H ILE A 53 12.080 -7.816 -9.130 1.00 0.00 H new ATOM 0 HA ILE A 53 10.788 -7.236 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 53 9.737 -8.494 -9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.154 -9.976 -11.683 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.553 -9.633 -10.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.818 -9.191 -10.484 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.955 -7.419 -10.395 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.480 -8.279 -11.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.637 -11.845 -10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.482 -10.770 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.062 -11.118 -9.785 1.00 0.00 H new ATOM 820 N ILE A 54 10.051 -5.727 -8.820 1.00 0.00 N ATOM 821 CA ILE A 54 9.438 -4.536 -8.246 1.00 0.00 C ATOM 822 C ILE A 54 10.457 -3.413 -8.092 1.00 0.00 C ATOM 823 O ILE A 54 11.472 -3.569 -7.411 1.00 0.00 O ATOM 824 CB ILE A 54 8.806 -4.833 -6.873 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.675 -5.853 -7.018 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.293 -3.550 -6.238 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.564 -5.396 -7.938 1.00 0.00 C ATOM 0 H ILE A 54 10.511 -6.333 -8.141 1.00 0.00 H new ATOM 0 HA ILE A 54 8.655 -4.221 -8.936 1.00 0.00 H new ATOM 0 HB ILE A 54 9.570 -5.257 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.087 -6.789 -7.396 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.257 -6.063 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.849 -3.776 -5.268 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.121 -2.854 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.541 -3.099 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.797 -6.168 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.126 -4.476 -7.550 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.968 -5.214 -8.934 1.00 0.00 H new ATOM 839 N LYS A 55 10.181 -2.279 -8.727 1.00 0.00 N ATOM 840 CA LYS A 55 11.072 -1.126 -8.658 1.00 0.00 C ATOM 841 C LYS A 55 10.849 -0.342 -7.369 1.00 0.00 C ATOM 842 O LYS A 55 11.782 -0.124 -6.595 1.00 0.00 O ATOM 843 CB LYS A 55 10.852 -0.213 -9.867 1.00 0.00 C ATOM 844 CG LYS A 55 11.290 -0.831 -11.183 1.00 0.00 C ATOM 845 CD LYS A 55 12.799 -0.772 -11.352 1.00 0.00 C ATOM 846 CE LYS A 55 13.244 -1.466 -12.630 1.00 0.00 C ATOM 847 NZ LYS A 55 14.719 -1.671 -12.665 1.00 0.00 N ATOM 0 H LYS A 55 9.347 -2.133 -9.296 1.00 0.00 H new ATOM 0 HA LYS A 55 12.099 -1.491 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.795 0.044 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.398 0.718 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.958 -1.868 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.810 -0.307 -12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.124 0.268 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.281 -1.242 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.741 -2.430 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.939 -0.871 -13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.982 -2.147 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.199 -0.750 -12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.007 -2.260 -11.857 1.00 0.00 H new ATOM 861 N HIS A 56 9.609 0.078 -7.143 1.00 0.00 N ATOM 862 CA HIS A 56 9.264 0.835 -5.946 1.00 0.00 C ATOM 863 C HIS A 56 8.345 0.025 -5.036 1.00 0.00 C ATOM 864 O HIS A 56 7.122 0.158 -5.072 1.00 0.00 O ATOM 865 CB HIS A 56 8.590 2.154 -6.327 1.00 0.00 C ATOM 866 CG HIS A 56 7.650 2.032 -7.486 1.00 0.00 C ATOM 867 ND1 HIS A 56 6.813 1.031 -7.846 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 7.496 3.019 -8.437 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 6.174 1.428 -8.995 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 6.604 2.631 -9.331 1.00 0.00 N flip ATOM 0 H HIS A 56 8.826 -0.093 -7.774 1.00 0.00 H new ATOM 0 HA HIS A 56 10.185 1.049 -5.404 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.043 2.536 -5.465 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.358 2.889 -6.568 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.681 0.147 -7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.022 3.962 -8.449 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.439 0.850 -9.536 1.00 0.00 H new ATOM 878 N PRO A 57 8.947 -0.834 -4.200 1.00 0.00 N ATOM 879 CA PRO A 57 8.202 -1.682 -3.266 1.00 0.00 C ATOM 880 C PRO A 57 7.563 -0.880 -2.137 1.00 0.00 C ATOM 881 O PRO A 57 8.217 -0.048 -1.508 1.00 0.00 O ATOM 882 CB PRO A 57 9.272 -2.626 -2.712 1.00 0.00 C ATOM 883 CG PRO A 57 10.551 -1.876 -2.860 1.00 0.00 C ATOM 884 CD PRO A 57 10.401 -1.043 -4.103 1.00 0.00 C ATOM 0 HA PRO A 57 7.373 -2.195 -3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.078 -2.876 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.297 -3.565 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.738 -1.248 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.396 -2.559 -2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.938 -0.098 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.793 -1.557 -4.981 1.00 0.00 H new ATOM 892 N MET A 58 6.284 -1.136 -1.885 1.00 0.00 N ATOM 893 CA MET A 58 5.558 -0.438 -0.831 1.00 0.00 C ATOM 894 C MET A 58 4.752 -1.418 0.016 1.00 0.00 C ATOM 895 O MET A 58 4.530 -2.561 -0.384 1.00 0.00 O ATOM 896 CB MET A 58 4.628 0.617 -1.434 1.00 0.00 C ATOM 897 CG MET A 58 3.940 1.486 -0.394 1.00 0.00 C ATOM 898 SD MET A 58 5.108 2.302 0.712 1.00 0.00 S ATOM 899 CE MET A 58 5.823 3.521 -0.389 1.00 0.00 C ATOM 0 H MET A 58 5.729 -1.822 -2.396 1.00 0.00 H new ATOM 0 HA MET A 58 6.287 0.056 -0.189 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.203 1.255 -2.106 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.870 0.119 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.336 2.240 -0.898 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.258 0.872 0.194 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.446 4.208 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.433 3.019 -1.140 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.026 4.078 -0.882 1.00 0.00 H new ATOM 909 N ASP A 59 4.318 -0.964 1.186 1.00 0.00 N ATOM 910 CA ASP A 59 3.536 -1.801 2.089 1.00 0.00 C ATOM 911 C ASP A 59 2.748 -0.947 3.077 1.00 0.00 C ATOM 912 O ASP A 59 2.930 0.269 3.145 1.00 0.00 O ATOM 913 CB ASP A 59 4.451 -2.766 2.845 1.00 0.00 C ATOM 914 CG ASP A 59 5.636 -2.063 3.479 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.535 -0.845 3.736 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.664 -2.730 3.717 1.00 0.00 O ATOM 0 H ASP A 59 4.494 -0.021 1.532 1.00 0.00 H new ATOM 0 HA ASP A 59 2.829 -2.376 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.877 -3.275 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.811 -3.533 2.159 1.00 0.00 H new ATOM 921 N LEU A 60 1.873 -1.591 3.841 1.00 0.00 N ATOM 922 CA LEU A 60 1.056 -0.890 4.826 1.00 0.00 C ATOM 923 C LEU A 60 1.917 -0.351 5.963 1.00 0.00 C ATOM 924 O LEU A 60 1.644 0.718 6.509 1.00 0.00 O ATOM 925 CB LEU A 60 -0.019 -1.825 5.384 1.00 0.00 C ATOM 926 CG LEU A 60 -1.325 -1.894 4.593 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.348 -2.750 5.324 1.00 0.00 C ATOM 928 CD2 LEU A 60 -1.874 -0.496 4.348 1.00 0.00 C ATOM 0 H LEU A 60 1.711 -2.597 3.798 1.00 0.00 H new ATOM 0 HA LEU A 60 0.574 -0.048 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.398 -2.830 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.250 -1.513 6.402 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.119 -2.356 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.271 -2.787 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.956 -3.760 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.551 -2.317 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.804 -0.564 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.064 -0.007 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.147 0.086 3.781 1.00 0.00 H new ATOM 940 N SER A 61 2.960 -1.096 6.314 1.00 0.00 N ATOM 941 CA SER A 61 3.861 -0.694 7.388 1.00 0.00 C ATOM 942 C SER A 61 4.393 0.716 7.150 1.00 0.00 C ATOM 943 O SER A 61 4.650 1.464 8.094 1.00 0.00 O ATOM 944 CB SER A 61 5.027 -1.678 7.500 1.00 0.00 C ATOM 945 OG SER A 61 5.876 -1.594 6.369 1.00 0.00 O ATOM 0 H SER A 61 3.202 -1.982 5.870 1.00 0.00 H new ATOM 0 HA SER A 61 3.299 -0.700 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.599 -1.468 8.404 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.642 -2.693 7.595 1.00 0.00 H new ATOM 0 HG SER A 61 6.614 -2.232 6.466 1.00 0.00 H new ATOM 951 N THR A 62 4.558 1.074 5.880 1.00 0.00 N ATOM 952 CA THR A 62 5.060 2.393 5.516 1.00 0.00 C ATOM 953 C THR A 62 3.944 3.431 5.535 1.00 0.00 C ATOM 954 O THR A 62 3.990 4.393 6.301 1.00 0.00 O ATOM 955 CB THR A 62 5.711 2.381 4.120 1.00 0.00 C ATOM 956 OG1 THR A 62 6.763 1.411 4.079 1.00 0.00 O ATOM 957 CG2 THR A 62 6.265 3.753 3.769 1.00 0.00 C ATOM 0 H THR A 62 4.351 0.468 5.086 1.00 0.00 H new ATOM 0 HA THR A 62 5.813 2.660 6.258 1.00 0.00 H new ATOM 0 HB THR A 62 4.946 2.118 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.425 0.578 3.689 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.720 3.719 2.779 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.456 4.484 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.017 4.041 4.504 1.00 0.00 H new ATOM 965 N VAL A 63 2.940 3.229 4.687 1.00 0.00 N ATOM 966 CA VAL A 63 1.810 4.147 4.607 1.00 0.00 C ATOM 967 C VAL A 63 1.453 4.700 5.983 1.00 0.00 C ATOM 968 O VAL A 63 0.994 5.835 6.108 1.00 0.00 O ATOM 969 CB VAL A 63 0.570 3.461 4.005 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.610 4.420 3.974 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.878 2.936 2.610 1.00 0.00 C ATOM 0 H VAL A 63 2.886 2.438 4.046 1.00 0.00 H new ATOM 0 HA VAL A 63 2.114 4.967 3.956 1.00 0.00 H new ATOM 0 HB VAL A 63 0.302 2.615 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.477 3.917 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.843 4.743 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.357 5.289 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.009 2.454 2.199 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.172 3.765 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.692 2.213 2.665 1.00 0.00 H new ATOM 981 N LYS A 64 1.668 3.889 7.014 1.00 0.00 N ATOM 982 CA LYS A 64 1.372 4.296 8.382 1.00 0.00 C ATOM 983 C LYS A 64 2.525 5.101 8.973 1.00 0.00 C ATOM 984 O LYS A 64 2.311 6.130 9.615 1.00 0.00 O ATOM 985 CB LYS A 64 1.095 3.068 9.252 1.00 0.00 C ATOM 986 CG LYS A 64 0.298 3.379 10.507 1.00 0.00 C ATOM 987 CD LYS A 64 0.632 2.416 11.634 1.00 0.00 C ATOM 988 CE LYS A 64 0.053 1.033 11.375 1.00 0.00 C ATOM 989 NZ LYS A 64 0.963 0.198 10.543 1.00 0.00 N ATOM 0 H LYS A 64 2.046 2.946 6.927 1.00 0.00 H new ATOM 0 HA LYS A 64 0.484 4.928 8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.553 2.329 8.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.044 2.614 9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.505 4.400 10.827 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.768 3.325 10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.714 2.344 11.744 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.241 2.805 12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.131 0.533 12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.910 1.130 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.813 -0.807 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.762 0.363 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.951 0.453 10.746 1.00 0.00 H new ATOM 1003 N ARG A 65 3.746 4.628 8.750 1.00 0.00 N ATOM 1004 CA ARG A 65 4.933 5.304 9.260 1.00 0.00 C ATOM 1005 C ARG A 65 5.044 6.714 8.685 1.00 0.00 C ATOM 1006 O ARG A 65 5.530 7.630 9.349 1.00 0.00 O ATOM 1007 CB ARG A 65 6.190 4.502 8.918 1.00 0.00 C ATOM 1008 CG ARG A 65 6.831 4.906 7.600 1.00 0.00 C ATOM 1009 CD ARG A 65 8.151 4.184 7.379 1.00 0.00 C ATOM 1010 NE ARG A 65 9.274 4.903 7.977 1.00 0.00 N ATOM 1011 CZ ARG A 65 10.536 4.499 7.887 1.00 0.00 C ATOM 1012 NH1 ARG A 65 10.835 3.389 7.227 1.00 0.00 N ATOM 1013 NH2 ARG A 65 11.503 5.207 8.457 1.00 0.00 N ATOM 0 H ARG A 65 3.940 3.779 8.219 1.00 0.00 H new ATOM 0 HA ARG A 65 4.841 5.377 10.344 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.919 4.625 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.935 3.443 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.150 4.681 6.779 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.998 5.983 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.093 3.183 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.325 4.065 6.310 1.00 0.00 H new ATOM 0 HE ARG A 65 9.078 5.762 8.491 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.095 2.843 6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.805 3.081 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.277 6.062 8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.472 4.896 8.387 1.00 0.00 H new ATOM 1027 N LYS A 66 4.591 6.880 7.447 1.00 0.00 N ATOM 1028 CA LYS A 66 4.638 8.176 6.782 1.00 0.00 C ATOM 1029 C LYS A 66 3.533 9.093 7.297 1.00 0.00 C ATOM 1030 O LYS A 66 3.797 10.208 7.746 1.00 0.00 O ATOM 1031 CB LYS A 66 4.506 8.001 5.268 1.00 0.00 C ATOM 1032 CG LYS A 66 5.778 7.509 4.599 1.00 0.00 C ATOM 1033 CD LYS A 66 5.594 7.354 3.098 1.00 0.00 C ATOM 1034 CE LYS A 66 5.747 8.684 2.377 1.00 0.00 C ATOM 1035 NZ LYS A 66 7.157 9.162 2.387 1.00 0.00 N ATOM 0 H LYS A 66 4.187 6.132 6.884 1.00 0.00 H new ATOM 0 HA LYS A 66 5.601 8.636 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.701 7.296 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.217 8.954 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.589 8.210 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.071 6.552 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.325 6.644 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.607 6.939 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.406 8.580 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.108 9.429 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.288 9.873 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.373 9.588 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.797 8.360 2.218 1.00 0.00 H new ATOM 1049 N MET A 67 2.295 8.614 7.230 1.00 0.00 N ATOM 1050 CA MET A 67 1.150 9.391 7.693 1.00 0.00 C ATOM 1051 C MET A 67 1.288 9.734 9.172 1.00 0.00 C ATOM 1052 O MET A 67 0.951 10.839 9.597 1.00 0.00 O ATOM 1053 CB MET A 67 -0.148 8.616 7.456 1.00 0.00 C ATOM 1054 CG MET A 67 -1.352 9.217 8.162 1.00 0.00 C ATOM 1055 SD MET A 67 -1.800 10.838 7.513 1.00 0.00 S ATOM 1056 CE MET A 67 -2.826 10.373 6.120 1.00 0.00 C ATOM 0 H MET A 67 2.059 7.693 6.860 1.00 0.00 H new ATOM 0 HA MET A 67 1.119 10.320 7.124 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.347 8.576 6.385 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.015 7.588 7.794 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.202 8.542 8.061 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.138 9.303 9.227 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.328 10.654 5.192 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.990 9.295 6.132 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.785 10.887 6.187 1.00 0.00 H new ATOM 1066 N ASP A 68 1.786 8.780 9.952 1.00 0.00 N ATOM 1067 CA ASP A 68 1.969 8.982 11.385 1.00 0.00 C ATOM 1068 C ASP A 68 2.870 10.183 11.653 1.00 0.00 C ATOM 1069 O ASP A 68 2.579 11.011 12.516 1.00 0.00 O ATOM 1070 CB ASP A 68 2.564 7.728 12.026 1.00 0.00 C ATOM 1071 CG ASP A 68 1.500 6.754 12.492 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.505 6.568 11.760 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.662 6.178 13.587 1.00 0.00 O ATOM 0 H ASP A 68 2.070 7.860 9.616 1.00 0.00 H new ATOM 0 HA ASP A 68 0.992 9.178 11.828 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.217 7.232 11.308 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.184 8.017 12.874 1.00 0.00 H new ATOM 1078 N GLY A 69 3.968 10.271 10.908 1.00 0.00 N ATOM 1079 CA GLY A 69 4.896 11.373 11.082 1.00 0.00 C ATOM 1080 C GLY A 69 4.565 12.556 10.194 1.00 0.00 C ATOM 1081 O GLY A 69 5.443 13.347 9.849 1.00 0.00 O ATOM 0 H GLY A 69 4.231 9.599 10.187 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.886 11.691 12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.907 11.030 10.863 1.00 0.00 H new ATOM 1085 N ARG A 70 3.295 12.676 9.821 1.00 0.00 N ATOM 1086 CA ARG A 70 2.850 13.769 8.965 1.00 0.00 C ATOM 1087 C ARG A 70 3.815 13.975 7.800 1.00 0.00 C ATOM 1088 O ARG A 70 4.213 15.100 7.503 1.00 0.00 O ATOM 1089 CB ARG A 70 2.728 15.062 9.773 1.00 0.00 C ATOM 1090 CG ARG A 70 1.841 14.931 11.001 1.00 0.00 C ATOM 1091 CD ARG A 70 0.373 14.828 10.618 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.504 15.332 11.672 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.838 14.629 12.748 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.372 13.399 12.912 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.641 15.156 13.664 1.00 0.00 N ATOM 0 H ARG A 70 2.556 12.030 10.098 1.00 0.00 H new ATOM 0 HA ARG A 70 1.872 13.506 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.722 15.380 10.086 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.330 15.847 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.133 14.048 11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.989 15.793 11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.197 15.390 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.125 13.788 10.407 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.880 16.275 11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.245 12.990 12.211 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.631 12.862 13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.002 16.102 13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.897 14.615 14.490 1.00 0.00 H new ATOM 1109 N GLU A 71 4.186 12.878 7.146 1.00 0.00 N ATOM 1110 CA GLU A 71 5.105 12.939 6.015 1.00 0.00 C ATOM 1111 C GLU A 71 4.355 13.241 4.721 1.00 0.00 C ATOM 1112 O GLU A 71 4.865 13.939 3.844 1.00 0.00 O ATOM 1113 CB GLU A 71 5.869 11.620 5.879 1.00 0.00 C ATOM 1114 CG GLU A 71 6.723 11.284 7.090 1.00 0.00 C ATOM 1115 CD GLU A 71 7.729 10.185 6.807 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.454 10.290 5.796 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.790 9.220 7.598 1.00 0.00 O ATOM 0 H GLU A 71 3.865 11.938 7.379 1.00 0.00 H new ATOM 0 HA GLU A 71 5.816 13.745 6.199 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.156 10.812 5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.507 11.669 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.251 12.180 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.076 10.977 7.912 1.00 0.00 H new ATOM 1124 N TYR A 72 3.143 12.711 4.608 1.00 0.00 N ATOM 1125 CA TYR A 72 2.324 12.920 3.421 1.00 0.00 C ATOM 1126 C TYR A 72 1.977 14.397 3.251 1.00 0.00 C ATOM 1127 O TYR A 72 1.504 15.060 4.174 1.00 0.00 O ATOM 1128 CB TYR A 72 1.041 12.091 3.507 1.00 0.00 C ATOM 1129 CG TYR A 72 1.242 10.629 3.178 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.935 10.243 2.036 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.739 9.634 4.007 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.120 8.908 1.731 1.00 0.00 C ATOM 1133 CE2 TYR A 72 0.921 8.297 3.710 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.612 7.940 2.571 1.00 0.00 C ATOM 1135 OH TYR A 72 1.794 6.609 2.271 1.00 0.00 O ATOM 0 H TYR A 72 2.705 12.133 5.325 1.00 0.00 H new ATOM 0 HA TYR A 72 2.900 12.598 2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.631 12.175 4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.301 12.510 2.825 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.335 10.999 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.196 9.910 4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.660 8.624 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.525 7.536 4.366 1.00 0.00 H new ATOM 0 HH TYR A 72 0.942 6.219 1.982 1.00 0.00 H new ATOM 1145 N PRO A 73 2.218 14.925 2.042 1.00 0.00 N ATOM 1146 CA PRO A 73 1.939 16.327 1.721 1.00 0.00 C ATOM 1147 C PRO A 73 0.444 16.621 1.660 1.00 0.00 C ATOM 1148 O PRO A 73 -0.018 17.645 2.164 1.00 0.00 O ATOM 1149 CB PRO A 73 2.577 16.509 0.341 1.00 0.00 C ATOM 1150 CG PRO A 73 2.588 15.143 -0.254 1.00 0.00 C ATOM 1151 CD PRO A 73 2.781 14.193 0.895 1.00 0.00 C ATOM 0 HA PRO A 73 2.331 17.005 2.479 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.003 17.203 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.586 16.914 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.654 14.938 -0.778 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.391 15.041 -0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.262 13.249 0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.834 13.956 1.048 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.307 15.718 1.040 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.751 15.880 0.915 1.00 0.00 C ATOM 1161 C ASP A 74 -2.417 14.555 0.556 1.00 0.00 C ATOM 1162 O ASP A 74 -1.748 13.534 0.403 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.077 16.933 -0.146 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.048 16.973 -1.258 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.574 15.892 -1.667 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.716 18.085 -1.719 1.00 0.00 O ATOM 0 H ASP A 74 0.060 14.866 0.616 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.140 16.212 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.059 16.724 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.136 17.914 0.326 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.740 14.580 0.425 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.496 13.382 0.084 1.00 0.00 C ATOM 1173 C ALA A 75 -3.859 12.646 -1.090 1.00 0.00 C ATOM 1174 O ALA A 75 -3.868 11.416 -1.141 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.939 13.743 -0.238 1.00 0.00 C ATOM 0 H ALA A 75 -4.309 15.417 0.550 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.483 12.716 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.492 12.839 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.397 14.218 0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.962 14.431 -1.083 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.308 13.406 -2.030 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.667 12.825 -3.204 1.00 0.00 C ATOM 1183 C GLN A 76 -1.500 11.930 -2.800 1.00 0.00 C ATOM 1184 O GLN A 76 -1.414 10.777 -3.222 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.177 13.928 -4.143 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.275 14.881 -4.587 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.470 14.160 -5.180 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.399 13.625 -6.287 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.576 14.142 -4.445 1.00 0.00 N ATOM 0 H GLN A 76 -3.292 14.425 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.406 12.216 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.393 14.497 -3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.726 13.470 -5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.601 15.476 -3.734 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.872 15.575 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.590 14.599 -3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.412 13.672 -4.793 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.603 12.469 -1.980 1.00 0.00 N ATOM 1199 CA GLY A 77 0.547 11.705 -1.534 1.00 0.00 C ATOM 1200 C GLY A 77 0.154 10.400 -0.870 1.00 0.00 C ATOM 1201 O GLY A 77 0.747 9.355 -1.140 1.00 0.00 O ATOM 0 H GLY A 77 -0.652 13.421 -1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.193 11.495 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.128 12.305 -0.834 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.847 10.459 0.001 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.317 9.273 0.708 1.00 0.00 C ATOM 1207 C PHE A 78 -1.836 8.225 -0.273 1.00 0.00 C ATOM 1208 O PHE A 78 -1.397 7.076 -0.261 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.419 9.647 1.701 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.174 8.463 2.233 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.647 7.690 3.254 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.413 8.125 1.713 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.340 6.599 3.745 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -5.111 7.036 2.199 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.574 6.273 3.218 1.00 0.00 C ATOM 0 H PHE A 78 -1.349 11.316 0.235 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.474 8.849 1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.976 10.190 2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.120 10.326 1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.683 7.942 3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.838 8.720 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.917 6.003 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.075 6.782 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.119 5.423 3.602 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.775 8.632 -1.122 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.354 7.731 -2.110 1.00 0.00 C ATOM 1227 C ALA A 79 -2.277 7.152 -3.022 1.00 0.00 C ATOM 1228 O ALA A 79 -2.190 5.938 -3.203 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.410 8.456 -2.931 1.00 0.00 C ATOM 0 H ALA A 79 -3.150 9.580 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.827 6.905 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.834 7.771 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.200 8.816 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.954 9.302 -3.445 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.460 8.030 -3.596 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.389 7.605 -4.488 1.00 0.00 C ATOM 1237 C ALA A 80 0.259 6.316 -3.995 1.00 0.00 C ATOM 1238 O ALA A 80 0.391 5.349 -4.746 1.00 0.00 O ATOM 1239 CB ALA A 80 0.654 8.705 -4.620 1.00 0.00 C ATOM 0 H ALA A 80 -1.520 9.039 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.823 7.410 -5.469 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.449 8.375 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.187 9.602 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.075 8.927 -3.639 1.00 0.00 H new ATOM 1245 N ASP A 81 0.662 6.309 -2.729 1.00 0.00 N ATOM 1246 CA ASP A 81 1.295 5.137 -2.135 1.00 0.00 C ATOM 1247 C ASP A 81 0.335 3.953 -2.112 1.00 0.00 C ATOM 1248 O ASP A 81 0.610 2.905 -2.697 1.00 0.00 O ATOM 1249 CB ASP A 81 1.770 5.453 -0.715 1.00 0.00 C ATOM 1250 CG ASP A 81 2.920 6.441 -0.695 1.00 0.00 C ATOM 1251 OD1 ASP A 81 2.838 7.460 -1.412 1.00 0.00 O ATOM 1252 OD2 ASP A 81 3.902 6.195 0.036 1.00 0.00 O ATOM 0 H ASP A 81 0.562 7.101 -2.095 1.00 0.00 H new ATOM 0 HA ASP A 81 2.156 4.870 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.938 5.857 -0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.079 4.530 -0.225 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.794 4.126 -1.431 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.796 3.071 -1.331 1.00 0.00 C ATOM 1259 C VAL A 82 -1.939 2.322 -2.651 1.00 0.00 C ATOM 1260 O VAL A 82 -1.711 1.114 -2.720 1.00 0.00 O ATOM 1261 CB VAL A 82 -3.169 3.638 -0.923 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -4.230 2.549 -0.965 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -3.095 4.269 0.459 1.00 0.00 C ATOM 0 H VAL A 82 -1.037 4.987 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.453 2.380 -0.561 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.450 4.413 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.193 2.968 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.300 2.148 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.959 1.750 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.074 4.664 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.792 3.516 1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.366 5.079 0.450 1.00 0.00 H new ATOM 1273 N ARG A 83 -2.317 3.048 -3.698 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.492 2.452 -5.018 1.00 0.00 C ATOM 1275 C ARG A 83 -1.207 1.772 -5.481 1.00 0.00 C ATOM 1276 O ARG A 83 -1.241 0.682 -6.054 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.911 3.519 -6.031 1.00 0.00 C ATOM 1278 CG ARG A 83 -4.313 4.058 -5.803 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.626 5.213 -6.741 1.00 0.00 C ATOM 1280 NE ARG A 83 -5.216 4.755 -7.996 1.00 0.00 N ATOM 1281 CZ ARG A 83 -6.486 4.384 -8.119 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -7.294 4.418 -7.068 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -6.950 3.979 -9.294 1.00 0.00 N ATOM 0 H ARG A 83 -2.508 4.049 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.277 1.699 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.202 4.346 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.851 3.098 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.040 3.259 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.413 4.390 -4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.311 5.904 -6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.711 5.767 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.621 4.718 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.941 4.729 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.269 4.133 -7.165 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.332 3.952 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.925 3.695 -9.387 1.00 0.00 H new ATOM 1297 N LEU A 84 -0.076 2.422 -5.231 1.00 0.00 N ATOM 1298 CA LEU A 84 1.221 1.880 -5.622 1.00 0.00 C ATOM 1299 C LEU A 84 1.437 0.496 -5.020 1.00 0.00 C ATOM 1300 O LEU A 84 1.738 -0.461 -5.733 1.00 0.00 O ATOM 1301 CB LEU A 84 2.343 2.822 -5.181 1.00 0.00 C ATOM 1302 CG LEU A 84 3.758 2.423 -5.602 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.269 1.279 -4.740 1.00 0.00 C ATOM 1304 CD2 LEU A 84 3.788 2.038 -7.074 1.00 0.00 C ATOM 0 H LEU A 84 -0.030 3.325 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 84 1.237 1.789 -6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.134 3.815 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.318 2.901 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 84 4.415 3.281 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.277 1.009 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.286 1.590 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.611 0.417 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.803 1.757 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.118 1.195 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.465 2.886 -7.678 1.00 0.00 H new ATOM 1316 N MET A 85 1.278 0.397 -3.705 1.00 0.00 N ATOM 1317 CA MET A 85 1.453 -0.872 -3.007 1.00 0.00 C ATOM 1318 C MET A 85 0.779 -2.008 -3.770 1.00 0.00 C ATOM 1319 O MET A 85 1.397 -3.037 -4.045 1.00 0.00 O ATOM 1320 CB MET A 85 0.882 -0.783 -1.591 1.00 0.00 C ATOM 1321 CG MET A 85 0.610 -2.139 -0.959 1.00 0.00 C ATOM 1322 SD MET A 85 -0.167 -2.006 0.663 1.00 0.00 S ATOM 1323 CE MET A 85 -1.847 -1.591 0.201 1.00 0.00 C ATOM 0 H MET A 85 1.028 1.180 -3.101 1.00 0.00 H new ATOM 0 HA MET A 85 2.521 -1.081 -2.947 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.579 -0.231 -0.961 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.045 -0.211 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.033 -2.721 -1.619 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.548 -2.686 -0.865 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.103 -0.610 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.932 -1.573 -0.886 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.531 -2.337 0.606 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.492 -1.816 -4.107 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.250 -2.826 -4.837 1.00 0.00 C ATOM 1335 C PHE A 86 -0.597 -3.131 -6.182 1.00 0.00 C ATOM 1336 O PHE A 86 -0.278 -4.281 -6.482 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.691 -2.356 -5.052 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.454 -2.159 -3.773 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -3.903 -3.249 -3.044 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.724 -0.885 -3.301 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.605 -3.071 -1.867 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.425 -0.702 -2.124 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.868 -1.796 -1.407 1.00 0.00 C ATOM 0 H PHE A 86 -1.019 -0.971 -3.886 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.257 -3.739 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.680 -1.418 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.215 -3.086 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.702 -4.249 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.383 -0.025 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.948 -3.929 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.626 0.296 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.419 -1.655 -0.489 1.00 0.00 H new ATOM 1353 N SER A 87 -0.402 -2.091 -6.987 1.00 0.00 N ATOM 1354 CA SER A 87 0.209 -2.247 -8.302 1.00 0.00 C ATOM 1355 C SER A 87 1.300 -3.314 -8.271 1.00 0.00 C ATOM 1356 O SER A 87 1.422 -4.119 -9.193 1.00 0.00 O ATOM 1357 CB SER A 87 0.795 -0.916 -8.776 1.00 0.00 C ATOM 1358 OG SER A 87 -0.209 0.080 -8.865 1.00 0.00 O ATOM 0 H SER A 87 -0.658 -1.132 -6.752 1.00 0.00 H new ATOM 0 HA SER A 87 -0.566 -2.564 -9.000 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.574 -0.591 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.267 -1.049 -9.749 1.00 0.00 H new ATOM 0 HG SER A 87 -0.437 0.396 -7.966 1.00 0.00 H new ATOM 1364 N ASN A 88 2.091 -3.312 -7.202 1.00 0.00 N ATOM 1365 CA ASN A 88 3.172 -4.278 -7.050 1.00 0.00 C ATOM 1366 C ASN A 88 2.620 -5.686 -6.852 1.00 0.00 C ATOM 1367 O ASN A 88 3.064 -6.635 -7.500 1.00 0.00 O ATOM 1368 CB ASN A 88 4.062 -3.896 -5.866 1.00 0.00 C ATOM 1369 CG ASN A 88 5.029 -2.778 -6.205 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.640 -2.774 -7.274 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.171 -1.822 -5.294 1.00 0.00 N ATOM 0 H ASN A 88 2.003 -2.652 -6.429 1.00 0.00 H new ATOM 0 HA ASN A 88 3.768 -4.266 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.435 -3.589 -5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.623 -4.772 -5.540 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.807 -1.043 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.644 -1.866 -4.422 1.00 0.00 H new ATOM 1378 N CYS A 89 1.649 -5.814 -5.955 1.00 0.00 N ATOM 1379 CA CYS A 89 1.035 -7.106 -5.671 1.00 0.00 C ATOM 1380 C CYS A 89 0.435 -7.712 -6.935 1.00 0.00 C ATOM 1381 O CYS A 89 0.417 -8.932 -7.103 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.046 -6.957 -4.599 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.679 -6.538 -5.252 1.00 0.00 S ATOM 0 H CYS A 89 1.270 -5.039 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 89 1.812 -7.776 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.119 -7.889 -4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.261 -6.185 -3.894 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.584 -5.495 -6.022 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.057 -6.853 -7.820 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.663 -7.304 -9.068 1.00 0.00 C ATOM 1391 C TYR A 90 0.392 -7.464 -10.159 1.00 0.00 C ATOM 1392 O TYR A 90 0.102 -7.945 -11.254 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.738 -6.315 -9.524 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.890 -6.185 -8.554 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.507 -7.310 -8.021 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.362 -4.935 -8.170 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.560 -7.195 -7.135 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.414 -4.811 -7.284 1.00 0.00 C ATOM 1399 CZ TYR A 90 -5.011 -5.944 -6.769 1.00 0.00 C ATOM 1400 OH TYR A 90 -6.059 -5.825 -5.886 1.00 0.00 O ATOM 0 H TYR A 90 -0.048 -5.840 -7.697 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.124 -8.275 -8.888 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.282 -5.335 -9.667 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.124 -6.631 -10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.157 -8.292 -8.305 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.898 -4.046 -8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.028 -8.080 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.768 -3.832 -6.995 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.252 -4.876 -5.733 1.00 0.00 H new ATOM 1410 N LYS A 91 1.619 -7.057 -9.851 1.00 0.00 N ATOM 1411 CA LYS A 91 2.720 -7.156 -10.801 1.00 0.00 C ATOM 1412 C LYS A 91 3.609 -8.353 -10.481 1.00 0.00 C ATOM 1413 O LYS A 91 3.732 -9.279 -11.283 1.00 0.00 O ATOM 1414 CB LYS A 91 3.551 -5.871 -10.786 1.00 0.00 C ATOM 1415 CG LYS A 91 4.566 -5.790 -11.913 1.00 0.00 C ATOM 1416 CD LYS A 91 5.897 -6.402 -11.509 1.00 0.00 C ATOM 1417 CE LYS A 91 6.836 -6.530 -12.699 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.674 -7.836 -13.395 1.00 0.00 N ATOM 0 H LYS A 91 1.876 -6.655 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 91 2.297 -7.296 -11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.881 -5.014 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.073 -5.797 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.178 -6.307 -12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.714 -4.748 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.364 -5.786 -10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.728 -7.385 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.645 -5.718 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.867 -6.424 -12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.530 -8.043 -13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.526 -8.588 -12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.853 -7.791 -14.031 1.00 0.00 H new ATOM 1432 N TYR A 92 4.227 -8.327 -9.305 1.00 0.00 N ATOM 1433 CA TYR A 92 5.106 -9.410 -8.880 1.00 0.00 C ATOM 1434 C TYR A 92 4.482 -10.769 -9.182 1.00 0.00 C ATOM 1435 O TYR A 92 4.983 -11.524 -10.014 1.00 0.00 O ATOM 1436 CB TYR A 92 5.405 -9.295 -7.385 1.00 0.00 C ATOM 1437 CG TYR A 92 6.484 -10.241 -6.908 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.808 -10.064 -7.291 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.180 -11.311 -6.077 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.798 -10.925 -6.859 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.163 -12.177 -5.639 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.470 -11.980 -6.032 1.00 0.00 C ATOM 1443 OH TYR A 92 9.452 -12.841 -5.599 1.00 0.00 O ATOM 0 H TYR A 92 4.135 -7.568 -8.630 1.00 0.00 H new ATOM 0 HA TYR A 92 6.039 -9.327 -9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.706 -8.272 -7.161 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.490 -9.488 -6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.067 -9.239 -7.938 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.157 -11.469 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.822 -10.774 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.909 -13.004 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 92 9.055 -13.528 -5.024 1.00 0.00 H new ATOM 1453 N ASN A 93 3.382 -11.073 -8.500 1.00 0.00 N ATOM 1454 CA ASN A 93 2.688 -12.340 -8.694 1.00 0.00 C ATOM 1455 C ASN A 93 1.784 -12.283 -9.922 1.00 0.00 C ATOM 1456 O ASN A 93 1.325 -11.218 -10.337 1.00 0.00 O ATOM 1457 CB ASN A 93 1.861 -12.688 -7.455 1.00 0.00 C ATOM 1458 CG ASN A 93 1.032 -11.516 -6.965 1.00 0.00 C ATOM 1459 OD1 ASN A 93 -0.058 -11.257 -7.474 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.548 -10.801 -5.972 1.00 0.00 N ATOM 0 H ASN A 93 2.953 -10.459 -7.808 1.00 0.00 H new ATOM 0 HA ASN A 93 3.438 -13.115 -8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.202 -13.525 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.527 -13.017 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.037 -10.000 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.456 -11.053 -5.580 1.00 0.00 H new ATOM 1467 N PRO A 94 1.521 -13.455 -10.519 1.00 0.00 N ATOM 1468 CA PRO A 94 0.670 -13.565 -11.707 1.00 0.00 C ATOM 1469 C PRO A 94 -0.796 -13.282 -11.398 1.00 0.00 C ATOM 1470 O PRO A 94 -1.212 -13.228 -10.240 1.00 0.00 O ATOM 1471 CB PRO A 94 0.853 -15.022 -12.141 1.00 0.00 C ATOM 1472 CG PRO A 94 1.237 -15.743 -10.895 1.00 0.00 C ATOM 1473 CD PRO A 94 2.034 -14.763 -10.079 1.00 0.00 C ATOM 0 HA PRO A 94 0.944 -12.840 -12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.066 -15.427 -12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.625 -15.114 -12.905 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.354 -16.078 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 94 1.826 -16.631 -11.124 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.884 -14.914 -9.010 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.103 -14.859 -10.267 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.600 -13.097 -12.456 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.033 -12.818 -12.322 1.00 0.00 C ATOM 1483 C PRO A 95 -3.814 -14.025 -11.815 1.00 0.00 C ATOM 1484 O PRO A 95 -5.014 -13.934 -11.553 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.460 -12.465 -13.749 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.470 -13.156 -14.622 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.172 -13.148 -13.864 1.00 0.00 C ATOM 0 HA PRO A 95 -3.229 -12.029 -11.596 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.475 -12.806 -13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.447 -11.387 -13.911 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.788 -14.175 -14.841 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.367 -12.642 -15.578 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.580 -14.039 -14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.557 -12.288 -14.129 1.00 0.00 H new ATOM 1495 N ASP A 96 -3.127 -15.154 -11.679 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.757 -16.379 -11.201 1.00 0.00 C ATOM 1497 C ASP A 96 -3.590 -16.524 -9.692 1.00 0.00 C ATOM 1498 O ASP A 96 -4.437 -17.109 -9.016 1.00 0.00 O ATOM 1499 CB ASP A 96 -3.160 -17.595 -11.912 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.315 -18.870 -11.106 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -2.539 -19.064 -10.147 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -4.213 -19.673 -11.434 1.00 0.00 O ATOM 0 H ASP A 96 -2.134 -15.246 -11.893 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.822 -16.322 -11.426 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.644 -17.720 -12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.102 -17.417 -12.105 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.492 -15.987 -9.169 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.214 -16.057 -7.739 1.00 0.00 C ATOM 1509 C HIS A 97 -3.451 -15.686 -6.926 1.00 0.00 C ATOM 1510 O HIS A 97 -4.027 -14.615 -7.110 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.055 -15.128 -7.378 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.392 -15.473 -6.080 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -1.037 -16.141 -5.060 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.866 -15.241 -5.639 1.00 0.00 C ATOM 1515 CE1 HIS A 97 -0.205 -16.303 -4.047 1.00 0.00 C ATOM 1516 NE2 HIS A 97 0.957 -15.766 -4.373 1.00 0.00 N ATOM 0 H HIS A 97 -1.781 -15.499 -9.714 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.937 -17.083 -7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.313 -15.160 -8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.424 -14.104 -7.327 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.652 -14.737 -6.181 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.435 -16.791 -3.112 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.787 -15.745 -3.781 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.852 -16.580 -6.028 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.022 -16.346 -5.188 1.00 0.00 C ATOM 1526 C GLU A 98 -4.899 -15.021 -4.442 1.00 0.00 C ATOM 1527 O GLU A 98 -5.861 -14.258 -4.347 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.198 -17.492 -4.190 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.322 -17.363 -2.955 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.351 -18.606 -2.086 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.429 -19.227 -1.974 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.296 -18.957 -1.519 1.00 0.00 O ATOM 0 H GLU A 98 -3.385 -17.472 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.899 -16.299 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.242 -17.537 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.972 -18.435 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.295 -17.163 -3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.652 -16.506 -2.368 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.710 -14.754 -3.913 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.460 -13.521 -3.175 1.00 0.00 C ATOM 1541 C VAL A 99 -3.922 -12.304 -3.968 1.00 0.00 C ATOM 1542 O VAL A 99 -4.290 -11.279 -3.393 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.966 -13.363 -2.836 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.216 -12.743 -4.005 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.792 -12.528 -1.576 1.00 0.00 C ATOM 0 H VAL A 99 -2.904 -15.375 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.030 -13.585 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.546 -14.352 -2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.162 -12.639 -3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.314 -13.384 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.634 -11.761 -4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.730 -12.426 -1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.226 -11.540 -1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.294 -13.018 -0.742 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.901 -12.423 -5.291 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.319 -11.332 -6.164 1.00 0.00 C ATOM 1557 C VAL A 100 -5.779 -10.965 -5.924 1.00 0.00 C ATOM 1558 O VAL A 100 -6.135 -9.788 -5.883 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.130 -11.697 -7.648 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.633 -10.574 -8.543 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.669 -12.008 -7.938 1.00 0.00 C ATOM 0 H VAL A 100 -3.599 -13.264 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.688 -10.476 -5.925 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.717 -12.590 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.491 -10.850 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.693 -10.404 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.076 -9.662 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.554 -12.264 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.058 -11.135 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.347 -12.848 -7.323 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.620 -11.982 -5.766 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.042 -11.767 -5.527 1.00 0.00 C ATOM 1573 C ALA A 101 -8.278 -11.104 -4.174 1.00 0.00 C ATOM 1574 O ALA A 101 -9.206 -10.312 -4.014 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.797 -13.085 -5.610 1.00 0.00 C ATOM 0 H ALA A 101 -6.341 -12.963 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.417 -11.097 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.857 -12.909 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.665 -13.518 -6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.411 -13.774 -4.859 1.00 0.00 H new ATOM 1581 N MET A 102 -7.432 -11.434 -3.204 1.00 0.00 N ATOM 1582 CA MET A 102 -7.548 -10.869 -1.864 1.00 0.00 C ATOM 1583 C MET A 102 -7.177 -9.390 -1.864 1.00 0.00 C ATOM 1584 O MET A 102 -7.885 -8.563 -1.288 1.00 0.00 O ATOM 1585 CB MET A 102 -6.652 -11.632 -0.887 1.00 0.00 C ATOM 1586 CG MET A 102 -7.019 -13.100 -0.745 1.00 0.00 C ATOM 1587 SD MET A 102 -6.606 -13.766 0.879 1.00 0.00 S ATOM 1588 CE MET A 102 -4.840 -13.472 0.926 1.00 0.00 C ATOM 0 H MET A 102 -6.659 -12.089 -3.320 1.00 0.00 H new ATOM 0 HA MET A 102 -8.586 -10.965 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.617 -11.555 -1.220 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.708 -11.156 0.092 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.088 -13.222 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.501 -13.676 -1.512 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.332 -14.367 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.485 -13.229 -0.075 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.627 -12.641 1.598 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.064 -9.063 -2.512 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.601 -7.683 -2.587 1.00 0.00 C ATOM 1600 C ALA A 103 -6.696 -6.765 -3.119 1.00 0.00 C ATOM 1601 O ALA A 103 -6.811 -5.613 -2.700 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.360 -7.590 -3.463 1.00 0.00 C ATOM 0 H ALA A 103 -5.466 -9.735 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.347 -7.356 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.025 -6.554 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.569 -8.208 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.597 -7.941 -4.467 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.498 -7.281 -4.044 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.583 -6.506 -4.634 1.00 0.00 C ATOM 1610 C ARG A 104 -9.630 -6.150 -3.583 1.00 0.00 C ATOM 1611 O ARG A 104 -9.933 -4.976 -3.365 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.236 -7.289 -5.774 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.466 -7.214 -7.083 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.224 -7.890 -8.215 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.442 -7.165 -8.568 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.177 -7.443 -9.639 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.821 -8.424 -10.456 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.272 -6.738 -9.894 1.00 0.00 N ATOM 0 H ARG A 104 -7.417 -8.233 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.162 -5.582 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.332 -8.334 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.245 -6.909 -5.933 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.282 -6.171 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.492 -7.689 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.579 -7.963 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.480 -8.908 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.744 -6.404 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.980 -8.968 -10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.388 -8.635 -11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.549 -5.982 -9.268 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.836 -6.952 -10.716 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.182 -7.170 -2.934 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.195 -6.966 -1.906 1.00 0.00 C ATOM 1634 C LYS A 105 -10.910 -5.700 -1.105 1.00 0.00 C ATOM 1635 O LYS A 105 -11.797 -4.872 -0.896 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.249 -8.174 -0.968 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.971 -9.372 -1.561 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.632 -10.652 -0.815 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.142 -11.879 -1.555 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.273 -12.230 -2.712 1.00 0.00 N ATOM 0 H LYS A 105 -9.944 -8.147 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.160 -6.853 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.232 -8.466 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.745 -7.883 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.047 -9.203 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.699 -9.479 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.552 -10.725 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.069 -10.620 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.190 -12.724 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.157 -11.695 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.866 -12.475 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.670 -11.417 -2.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.675 -13.043 -2.463 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.667 -5.555 -0.659 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.264 -4.388 0.118 1.00 0.00 C ATOM 1656 C LEU A 106 -9.429 -3.108 -0.696 1.00 0.00 C ATOM 1657 O LEU A 106 -10.111 -2.176 -0.271 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.811 -4.531 0.574 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.316 -3.488 1.577 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.969 -3.699 2.934 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.800 -3.541 1.698 1.00 0.00 C ATOM 0 H LEU A 106 -8.921 -6.231 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.909 -4.326 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.686 -5.519 1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.169 -4.492 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.597 -2.500 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.604 -2.947 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.051 -3.608 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.721 -4.693 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.466 -2.792 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.497 -4.531 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.350 -3.338 0.726 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.802 -3.073 -1.867 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.882 -1.908 -2.741 1.00 0.00 C ATOM 1675 C GLN A 107 -10.332 -1.487 -2.956 1.00 0.00 C ATOM 1676 O GLN A 107 -10.646 -0.296 -2.975 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.221 -2.208 -4.087 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.424 -1.113 -5.122 1.00 0.00 C ATOM 1679 CD GLN A 107 -9.685 -1.310 -5.941 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -10.794 -1.083 -5.457 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -9.521 -1.735 -7.188 1.00 0.00 N ATOM 0 H GLN A 107 -8.233 -3.837 -2.233 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.352 -1.087 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.152 -2.357 -3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.620 -3.144 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.469 -0.147 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.563 -1.085 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.583 -1.910 -7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.333 -1.886 -7.786 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.210 -2.470 -3.117 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.628 -2.201 -3.330 1.00 0.00 C ATOM 1692 C ASP A 108 -13.174 -1.275 -2.248 1.00 0.00 C ATOM 1693 O ASP A 108 -13.924 -0.342 -2.535 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.420 -3.509 -3.347 1.00 0.00 C ATOM 1695 CG ASP A 108 -13.529 -4.102 -4.738 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -13.471 -3.331 -5.719 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -13.671 -5.338 -4.846 1.00 0.00 O ATOM 0 H ASP A 108 -10.966 -3.460 -3.104 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.738 -1.706 -4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.940 -4.230 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.420 -3.330 -2.952 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.793 -1.540 -1.002 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.245 -0.730 0.123 1.00 0.00 C ATOM 1704 C VAL A 109 -12.582 0.643 0.114 1.00 0.00 C ATOM 1705 O VAL A 109 -13.260 1.671 0.131 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.947 -1.422 1.467 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -13.399 -0.550 2.628 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.615 -2.787 1.522 1.00 0.00 C ATOM 0 H VAL A 109 -12.173 -2.309 -0.747 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.323 -0.610 0.014 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.870 -1.567 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -13.180 -1.055 3.569 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.869 0.402 2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.472 -0.371 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.394 -3.262 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.693 -2.669 1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.237 -3.410 0.711 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.254 0.653 0.085 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.499 1.900 0.073 1.00 0.00 C ATOM 1720 C PHE A 110 -11.023 2.843 -1.006 1.00 0.00 C ATOM 1721 O PHE A 110 -11.074 4.057 -0.811 1.00 0.00 O ATOM 1722 CB PHE A 110 -9.012 1.619 -0.158 1.00 0.00 C ATOM 1723 CG PHE A 110 -8.246 2.813 -0.649 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -8.348 3.224 -1.968 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.422 3.525 0.208 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -7.644 4.323 -2.424 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.716 4.625 -0.241 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.826 5.024 -1.559 1.00 0.00 C ATOM 0 H PHE A 110 -10.678 -0.189 0.069 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.625 2.381 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.567 1.270 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.911 0.810 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.985 2.679 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.330 3.217 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -7.733 4.633 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.079 5.172 0.438 1.00 0.00 H new ATOM 0 HZ PHE A 110 -6.274 5.882 -1.912 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.411 2.275 -2.143 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.930 3.065 -3.253 1.00 0.00 C ATOM 1740 C GLU A 111 -13.121 3.909 -2.810 1.00 0.00 C ATOM 1741 O GLU A 111 -13.103 5.134 -2.925 1.00 0.00 O ATOM 1742 CB GLU A 111 -12.341 2.151 -4.410 1.00 0.00 C ATOM 1743 CG GLU A 111 -11.179 1.728 -5.294 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.547 2.896 -6.026 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.116 3.334 -7.048 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.484 3.372 -5.576 1.00 0.00 O ATOM 0 H GLU A 111 -11.376 1.271 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.138 3.734 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.822 1.260 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.084 2.664 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.423 1.235 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.529 0.995 -6.021 1.00 0.00 H new ATOM 1753 N MET A 112 -14.154 3.245 -2.303 1.00 0.00 N ATOM 1754 CA MET A 112 -15.353 3.934 -1.842 1.00 0.00 C ATOM 1755 C MET A 112 -15.024 4.899 -0.707 1.00 0.00 C ATOM 1756 O MET A 112 -15.598 5.984 -0.617 1.00 0.00 O ATOM 1757 CB MET A 112 -16.402 2.922 -1.377 1.00 0.00 C ATOM 1758 CG MET A 112 -15.919 2.017 -0.255 1.00 0.00 C ATOM 1759 SD MET A 112 -17.271 1.368 0.746 1.00 0.00 S ATOM 1760 CE MET A 112 -18.335 0.688 -0.525 1.00 0.00 C ATOM 0 H MET A 112 -14.185 2.231 -2.201 1.00 0.00 H new ATOM 0 HA MET A 112 -15.756 4.507 -2.677 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.290 3.459 -1.043 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.702 2.307 -2.225 1.00 0.00 H new ATOM 0 HG2 MET A 112 -15.356 1.186 -0.681 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.233 2.572 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 112 -19.070 0.025 -0.068 1.00 0.00 H new ATOM 0 HE2 MET A 112 -18.849 1.499 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 112 -17.734 0.126 -1.240 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.096 4.497 0.155 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.691 5.326 1.284 1.00 0.00 C ATOM 1772 C ARG A 113 -13.121 6.657 0.804 1.00 0.00 C ATOM 1773 O ARG A 113 -13.359 7.702 1.411 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.655 4.592 2.137 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.237 3.452 2.956 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.301 3.947 3.923 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.622 3.999 3.302 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.754 4.103 3.990 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.725 4.167 5.314 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -17.917 4.144 3.354 1.00 0.00 N ATOM 0 H ARG A 113 -13.610 3.602 0.093 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.574 5.527 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.874 4.199 1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.180 5.306 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.669 2.707 2.288 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.440 2.958 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.335 3.290 4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.030 4.939 4.283 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.679 3.953 2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.832 4.136 5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.595 4.247 5.840 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.943 4.096 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.785 4.224 3.883 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.367 6.612 -0.289 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.761 7.814 -0.850 1.00 0.00 C ATOM 1796 C PHE A 114 -12.830 8.773 -1.364 1.00 0.00 C ATOM 1797 O PHE A 114 -12.883 9.935 -0.961 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.802 7.446 -1.984 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.877 8.563 -2.374 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.916 9.025 -1.489 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.969 9.153 -3.624 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -8.063 10.053 -1.844 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -9.118 10.180 -3.985 1.00 0.00 C ATOM 1804 CZ PHE A 114 -8.165 10.632 -3.094 1.00 0.00 C ATOM 0 H PHE A 114 -12.161 5.756 -0.804 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.202 8.312 -0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.209 6.583 -1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.382 7.144 -2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.833 8.576 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.714 8.806 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.318 10.403 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -9.198 10.629 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.501 11.436 -3.374 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.681 8.278 -2.257 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.750 9.089 -2.826 1.00 0.00 C ATOM 1816 C ALA A 115 -15.697 9.588 -1.740 1.00 0.00 C ATOM 1817 O ALA A 115 -16.048 10.768 -1.701 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.516 8.294 -3.872 1.00 0.00 C ATOM 0 H ALA A 115 -13.651 7.319 -2.602 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.298 9.958 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.311 8.912 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.836 7.992 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.950 7.408 -3.409 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.109 8.683 -0.859 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.016 9.031 0.229 1.00 0.00 C ATOM 1826 C LYS A 116 -16.640 10.377 0.841 1.00 0.00 C ATOM 1827 O LYS A 116 -17.508 11.197 1.139 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.992 7.944 1.307 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.738 6.681 0.913 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.202 6.749 1.314 1.00 0.00 C ATOM 1831 CE LYS A 116 -20.041 5.748 0.535 1.00 0.00 C ATOM 1832 NZ LYS A 116 -20.036 6.039 -0.926 1.00 0.00 N ATOM 0 H LYS A 116 -15.829 7.702 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.023 9.107 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.956 7.689 1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.428 8.343 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.662 6.533 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.270 5.818 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.297 6.552 2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.581 7.756 1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.658 4.742 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -21.066 5.767 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.897 5.650 -1.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.008 7.068 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.200 5.603 -1.364 1.00 0.00 H new ATOM 1846 N MET A 117 -15.343 10.597 1.024 1.00 0.00 N ATOM 1847 CA MET A 117 -14.853 11.846 1.597 1.00 0.00 C ATOM 1848 C MET A 117 -15.016 12.998 0.611 1.00 0.00 C ATOM 1849 O MET A 117 -14.235 13.138 -0.330 1.00 0.00 O ATOM 1850 CB MET A 117 -13.384 11.706 1.998 1.00 0.00 C ATOM 1851 CG MET A 117 -12.750 13.012 2.448 1.00 0.00 C ATOM 1852 SD MET A 117 -10.983 13.086 2.092 1.00 0.00 S ATOM 1853 CE MET A 117 -10.968 12.637 0.358 1.00 0.00 C ATOM 0 H MET A 117 -14.612 9.927 0.784 1.00 0.00 H new ATOM 0 HA MET A 117 -15.445 12.066 2.485 1.00 0.00 H new ATOM 0 HB2 MET A 117 -13.304 10.976 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.821 11.311 1.152 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.251 13.844 1.954 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.906 13.137 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 117 -10.028 12.956 -0.092 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.069 11.556 0.261 1.00 0.00 H new ATOM 0 HE3 MET A 117 -11.798 13.126 -0.152 1.00 0.00 H new