USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 802 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 106 LYS NZ :NH3+ -141:sc= 0.527 (180deg=0.0455) USER MOD Set 1.2: A 110 THR OG1 : rot 67:sc= -0.608 USER MOD Set 2.1: A 51 MET CE :methyl -179:sc= -0.487 (180deg=-0.421) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= -0.054 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -112:sc= -0.799 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -136:sc= -2.04! (180deg=-6.02!) USER MOD Single : A 20 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 22 MET CE :methyl -176:sc= -0.24 (180deg=-0.349) USER MOD Single : A 24 THR OG1 : rot -25:sc= 1.06 USER MOD Single : A 25 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.3) USER MOD Single : A 36 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.7!) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= -1.01 (180deg=-3.35!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= -0.0793 (180deg=-0.0878) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.538) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -2.1! C(o=-2.1!,f=-4.9!) USER MOD Single : A 65 TYR OH : rot 30:sc= -1.12 USER MOD Single : A 67 ASN :FLIP amide:sc= -1.35 F(o=-2.1!,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -80:sc= -0.178 USER MOD Single : A 81 ASN : amide:sc= -3.04! C(o=-3!,f=-6.3!) USER MOD Single : A 82 CYS SG : rot -56:sc= -0.128 USER MOD Single : A 84 THR OG1 : rot 77:sc= 0.0986 USER MOD Single : A 86 ASN : amide:sc= 0.0182 K(o=0.018,f=-1.1) USER MOD Single : A 90 SER OG : rot -15:sc= 0.179 USER MOD Single : A 97 HIS : no HE2:sc= -2.49! C(o=-2.5!,f=-5.7!) USER MOD Single : A 98 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.3!) USER MOD Single : A 99 MET CE :methyl -169:sc= -0.99 (180deg=-1.35) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 120:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 89 N LYS A 10 -2.698 18.479 9.980 1.00 0.00 N ATOM 90 CA LYS A 10 -4.087 18.183 9.650 1.00 0.00 C ATOM 91 C LYS A 10 -4.177 17.337 8.384 1.00 0.00 C ATOM 92 O LYS A 10 -4.840 16.300 8.366 1.00 0.00 O ATOM 93 CB LYS A 10 -4.876 19.482 9.465 1.00 0.00 C ATOM 94 CG LYS A 10 -6.356 19.262 9.203 1.00 0.00 C ATOM 95 CD LYS A 10 -6.944 20.379 8.357 1.00 0.00 C ATOM 96 CE LYS A 10 -8.436 20.184 8.137 1.00 0.00 C ATOM 97 NZ LYS A 10 -9.028 21.291 7.336 1.00 0.00 N ATOM 0 HA LYS A 10 -4.518 17.617 10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.761 20.097 10.357 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.448 20.042 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.499 18.307 8.697 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.890 19.203 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.769 21.338 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.435 20.414 7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.607 19.236 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.940 20.124 9.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.046 21.121 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.887 22.193 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.565 21.333 6.406 1.00 0.00 H new ATOM 111 N ASP A 11 -3.505 17.784 7.329 1.00 0.00 N ATOM 112 CA ASP A 11 -3.507 17.066 6.060 1.00 0.00 C ATOM 113 C ASP A 11 -2.998 15.640 6.242 1.00 0.00 C ATOM 114 O ASP A 11 -3.616 14.684 5.771 1.00 0.00 O ATOM 115 CB ASP A 11 -2.645 17.801 5.032 1.00 0.00 C ATOM 116 CG ASP A 11 -2.846 19.303 5.077 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.999 19.752 4.912 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.850 20.030 5.275 1.00 0.00 O ATOM 0 H ASP A 11 -2.952 18.641 7.328 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.534 17.023 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.595 17.572 5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.884 17.435 4.033 1.00 0.00 H new ATOM 123 N LEU A 12 -1.868 15.503 6.926 1.00 0.00 N ATOM 124 CA LEU A 12 -1.275 14.193 7.170 1.00 0.00 C ATOM 125 C LEU A 12 -2.204 13.322 8.009 1.00 0.00 C ATOM 126 O LEU A 12 -2.495 12.182 7.649 1.00 0.00 O ATOM 127 CB LEU A 12 0.075 14.345 7.874 1.00 0.00 C ATOM 128 CG LEU A 12 1.270 14.659 6.974 1.00 0.00 C ATOM 129 CD1 LEU A 12 2.491 15.010 7.811 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.571 13.483 6.057 1.00 0.00 C ATOM 0 H LEU A 12 -1.344 16.283 7.322 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.123 13.706 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.013 15.138 8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.286 13.423 8.415 1.00 0.00 H new ATOM 0 HG LEU A 12 1.018 15.521 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.332 15.230 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.272 15.883 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.745 14.168 8.455 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.425 13.725 5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.802 12.603 6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.702 13.277 5.432 1.00 0.00 H new ATOM 142 N ALA A 13 -2.667 13.868 9.129 1.00 0.00 N ATOM 143 CA ALA A 13 -3.567 13.142 10.017 1.00 0.00 C ATOM 144 C ALA A 13 -4.577 12.320 9.223 1.00 0.00 C ATOM 145 O ALA A 13 -4.791 11.140 9.505 1.00 0.00 O ATOM 146 CB ALA A 13 -4.285 14.110 10.946 1.00 0.00 C ATOM 0 H ALA A 13 -2.434 14.810 9.443 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.970 12.455 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.954 13.555 11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.552 14.650 11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.864 14.820 10.355 1.00 0.00 H new ATOM 152 N LEU A 14 -5.196 12.950 8.231 1.00 0.00 N ATOM 153 CA LEU A 14 -6.185 12.276 7.396 1.00 0.00 C ATOM 154 C LEU A 14 -5.589 11.034 6.740 1.00 0.00 C ATOM 155 O LEU A 14 -6.185 9.957 6.771 1.00 0.00 O ATOM 156 CB LEU A 14 -6.710 13.231 6.323 1.00 0.00 C ATOM 157 CG LEU A 14 -7.775 14.230 6.776 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.822 15.424 5.836 1.00 0.00 C ATOM 159 CD2 LEU A 14 -9.138 13.558 6.856 1.00 0.00 C ATOM 0 H LEU A 14 -5.031 13.926 7.985 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.012 11.965 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.866 13.789 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.121 12.637 5.507 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.510 14.587 7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.586 16.124 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.852 15.921 5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.062 15.085 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.883 14.284 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.411 13.171 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.097 12.736 7.571 1.00 0.00 H new ATOM 171 N CYS A 15 -4.409 11.192 6.150 1.00 0.00 N ATOM 172 CA CYS A 15 -3.731 10.083 5.488 1.00 0.00 C ATOM 173 C CYS A 15 -3.739 8.838 6.369 1.00 0.00 C ATOM 174 O CYS A 15 -4.032 7.737 5.903 1.00 0.00 O ATOM 175 CB CYS A 15 -2.293 10.470 5.144 1.00 0.00 C ATOM 176 SG CYS A 15 -2.155 11.912 4.062 1.00 0.00 S ATOM 0 H CYS A 15 -3.902 12.077 6.117 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.269 9.858 4.567 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.751 10.670 6.068 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.805 9.622 4.665 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.697 11.542 2.903 1.00 0.00 H new ATOM 182 N SER A 16 -3.412 9.019 7.645 1.00 0.00 N ATOM 183 CA SER A 16 -3.375 7.910 8.590 1.00 0.00 C ATOM 184 C SER A 16 -4.708 7.166 8.607 1.00 0.00 C ATOM 185 O SER A 16 -4.750 5.950 8.788 1.00 0.00 O ATOM 186 CB SER A 16 -3.045 8.419 9.994 1.00 0.00 C ATOM 187 OG SER A 16 -3.292 7.421 10.970 1.00 0.00 O ATOM 0 H SER A 16 -3.169 9.924 8.048 1.00 0.00 H new ATOM 0 HA SER A 16 -2.596 7.218 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.999 8.723 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.644 9.303 10.214 1.00 0.00 H new ATOM 0 HG SER A 16 -3.072 7.771 11.859 1.00 0.00 H new ATOM 193 N MET A 17 -5.794 7.907 8.416 1.00 0.00 N ATOM 194 CA MET A 17 -7.128 7.319 8.408 1.00 0.00 C ATOM 195 C MET A 17 -7.318 6.418 7.191 1.00 0.00 C ATOM 196 O MET A 17 -7.397 5.196 7.319 1.00 0.00 O ATOM 197 CB MET A 17 -8.194 8.417 8.414 1.00 0.00 C ATOM 198 CG MET A 17 -7.959 9.485 9.471 1.00 0.00 C ATOM 199 SD MET A 17 -9.494 10.217 10.070 1.00 0.00 S ATOM 200 CE MET A 17 -10.220 10.785 8.535 1.00 0.00 C ATOM 0 H MET A 17 -5.777 8.916 8.265 1.00 0.00 H new ATOM 0 HA MET A 17 -7.235 6.713 9.308 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.223 8.889 7.432 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.171 7.963 8.579 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.418 9.048 10.310 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.325 10.268 9.056 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.621 11.789 8.672 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.458 10.802 7.756 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.024 10.110 8.241 1.00 0.00 H new ATOM 210 N ILE A 18 -7.391 7.029 6.014 1.00 0.00 N ATOM 211 CA ILE A 18 -7.570 6.282 4.775 1.00 0.00 C ATOM 212 C ILE A 18 -6.698 5.031 4.757 1.00 0.00 C ATOM 213 O ILE A 18 -7.173 3.934 4.461 1.00 0.00 O ATOM 214 CB ILE A 18 -7.237 7.144 3.544 1.00 0.00 C ATOM 215 CG1 ILE A 18 -8.154 8.368 3.488 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.366 6.321 2.270 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.552 9.540 2.746 1.00 0.00 C ATOM 0 H ILE A 18 -7.329 8.040 5.892 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.620 5.991 4.731 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.206 7.488 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.092 8.088 3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.396 8.678 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.127 6.944 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.676 5.478 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.387 5.950 2.178 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.257 10.371 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.629 9.847 3.238 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.336 9.248 1.718 1.00 0.00 H new ATOM 229 N LEU A 19 -5.420 5.203 5.077 1.00 0.00 N ATOM 230 CA LEU A 19 -4.480 4.088 5.100 1.00 0.00 C ATOM 231 C LEU A 19 -5.019 2.939 5.946 1.00 0.00 C ATOM 232 O LEU A 19 -5.044 1.788 5.508 1.00 0.00 O ATOM 233 CB LEU A 19 -3.126 4.547 5.644 1.00 0.00 C ATOM 234 CG LEU A 19 -1.990 3.528 5.563 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.693 3.173 4.114 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.742 4.064 6.249 1.00 0.00 C ATOM 0 H LEU A 19 -5.011 6.104 5.324 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.351 3.732 4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.823 5.442 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.255 4.835 6.687 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.304 2.622 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.881 2.446 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.584 2.746 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.400 4.072 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.056 3.325 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.426 4.986 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.961 4.266 7.297 1.00 0.00 H new ATOM 248 N THR A 20 -5.451 3.258 7.162 1.00 0.00 N ATOM 249 CA THR A 20 -5.990 2.254 8.070 1.00 0.00 C ATOM 250 C THR A 20 -7.071 1.422 7.391 1.00 0.00 C ATOM 251 O THR A 20 -6.932 0.208 7.244 1.00 0.00 O ATOM 252 CB THR A 20 -6.577 2.901 9.339 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.548 3.585 10.062 1.00 0.00 O ATOM 254 CG2 THR A 20 -7.220 1.852 10.233 1.00 0.00 C ATOM 0 H THR A 20 -5.438 4.205 7.541 1.00 0.00 H new ATOM 0 HA THR A 20 -5.160 1.606 8.352 1.00 0.00 H new ATOM 0 HB THR A 20 -7.342 3.615 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.299 4.402 9.582 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.627 2.332 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.023 1.354 9.690 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.471 1.117 10.528 1.00 0.00 H new ATOM 262 N GLU A 21 -8.148 2.083 6.977 1.00 0.00 N ATOM 263 CA GLU A 21 -9.253 1.403 6.312 1.00 0.00 C ATOM 264 C GLU A 21 -8.741 0.494 5.198 1.00 0.00 C ATOM 265 O GLU A 21 -9.003 -0.708 5.193 1.00 0.00 O ATOM 266 CB GLU A 21 -10.239 2.423 5.740 1.00 0.00 C ATOM 267 CG GLU A 21 -10.561 3.560 6.695 1.00 0.00 C ATOM 268 CD GLU A 21 -11.915 4.185 6.423 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.010 5.011 5.490 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.879 3.850 7.142 1.00 0.00 O ATOM 0 H GLU A 21 -8.278 3.088 7.091 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.766 0.789 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.827 2.838 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.164 1.911 5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.536 3.187 7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.789 4.326 6.616 1.00 0.00 H new ATOM 277 N MET A 22 -8.010 1.079 4.255 1.00 0.00 N ATOM 278 CA MET A 22 -7.460 0.322 3.135 1.00 0.00 C ATOM 279 C MET A 22 -6.621 -0.851 3.632 1.00 0.00 C ATOM 280 O MET A 22 -6.608 -1.918 3.020 1.00 0.00 O ATOM 281 CB MET A 22 -6.611 1.232 2.245 1.00 0.00 C ATOM 282 CG MET A 22 -7.430 2.198 1.406 1.00 0.00 C ATOM 283 SD MET A 22 -6.631 2.611 -0.157 1.00 0.00 S ATOM 284 CE MET A 22 -5.042 3.202 0.422 1.00 0.00 C ATOM 0 H MET A 22 -7.785 2.074 4.243 1.00 0.00 H new ATOM 0 HA MET A 22 -8.292 -0.072 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.924 1.801 2.872 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.003 0.615 1.584 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.408 1.760 1.205 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.601 3.112 1.975 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.458 3.563 -0.424 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.193 4.015 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.507 2.388 0.911 1.00 0.00 H new ATOM 294 N GLU A 23 -5.922 -0.644 4.744 1.00 0.00 N ATOM 295 CA GLU A 23 -5.080 -1.686 5.320 1.00 0.00 C ATOM 296 C GLU A 23 -5.925 -2.849 5.830 1.00 0.00 C ATOM 297 O GLU A 23 -5.413 -3.938 6.089 1.00 0.00 O ATOM 298 CB GLU A 23 -4.235 -1.116 6.461 1.00 0.00 C ATOM 299 CG GLU A 23 -2.972 -0.414 5.992 1.00 0.00 C ATOM 300 CD GLU A 23 -1.851 -0.489 7.010 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.068 -1.461 6.960 1.00 0.00 O ATOM 302 OE2 GLU A 23 -1.755 0.424 7.857 1.00 0.00 O ATOM 0 H GLU A 23 -5.922 0.234 5.263 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.418 -2.057 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.840 -0.413 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.961 -1.925 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.638 -0.862 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.198 0.631 5.783 1.00 0.00 H new ATOM 309 N THR A 24 -7.225 -2.610 5.973 1.00 0.00 N ATOM 310 CA THR A 24 -8.143 -3.636 6.454 1.00 0.00 C ATOM 311 C THR A 24 -9.079 -4.099 5.344 1.00 0.00 C ATOM 312 O THR A 24 -10.242 -4.420 5.593 1.00 0.00 O ATOM 313 CB THR A 24 -8.983 -3.126 7.640 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.793 -2.020 7.227 1.00 0.00 O ATOM 315 CG2 THR A 24 -8.088 -2.703 8.795 1.00 0.00 C ATOM 0 H THR A 24 -7.666 -1.715 5.763 1.00 0.00 H new ATOM 0 HA THR A 24 -7.533 -4.477 6.785 1.00 0.00 H new ATOM 0 HB THR A 24 -9.625 -3.939 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.374 -1.576 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.704 -2.347 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.494 -3.555 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.424 -1.904 8.467 1.00 0.00 H new ATOM 323 N HIS A 25 -8.566 -4.134 4.119 1.00 0.00 N ATOM 324 CA HIS A 25 -9.357 -4.560 2.970 1.00 0.00 C ATOM 325 C HIS A 25 -9.088 -6.025 2.638 1.00 0.00 C ATOM 326 O HIS A 25 -7.971 -6.514 2.809 1.00 0.00 O ATOM 327 CB HIS A 25 -9.045 -3.684 1.756 1.00 0.00 C ATOM 328 CG HIS A 25 -10.200 -3.535 0.813 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.271 -4.191 -0.398 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.333 -2.802 0.910 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.398 -3.865 -1.006 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.060 -3.023 -0.234 1.00 0.00 N ATOM 0 H HIS A 25 -7.606 -3.872 3.896 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.411 -4.451 3.226 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.738 -2.696 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.199 -4.111 1.217 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.613 -2.162 1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -11.723 -4.226 -1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -12.964 -2.605 -0.452 1.00 0.00 H new ATOM 340 N GLU A 26 -10.118 -6.719 2.165 1.00 0.00 N ATOM 341 CA GLU A 26 -9.991 -8.128 1.811 1.00 0.00 C ATOM 342 C GLU A 26 -8.950 -8.321 0.712 1.00 0.00 C ATOM 343 O GLU A 26 -8.518 -9.442 0.443 1.00 0.00 O ATOM 344 CB GLU A 26 -11.341 -8.685 1.354 1.00 0.00 C ATOM 345 CG GLU A 26 -11.855 -8.058 0.069 1.00 0.00 C ATOM 346 CD GLU A 26 -13.122 -8.720 -0.437 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.016 -8.998 0.389 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.218 -8.961 -1.658 1.00 0.00 O ATOM 0 H GLU A 26 -11.049 -6.329 2.018 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.663 -8.671 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.251 -9.762 1.212 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.075 -8.528 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.046 -6.998 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.083 -8.125 -0.698 1.00 0.00 H new ATOM 355 N ASP A 27 -8.554 -7.222 0.081 1.00 0.00 N ATOM 356 CA ASP A 27 -7.564 -7.269 -0.989 1.00 0.00 C ATOM 357 C ASP A 27 -6.468 -6.233 -0.761 1.00 0.00 C ATOM 358 O ASP A 27 -5.961 -5.633 -1.708 1.00 0.00 O ATOM 359 CB ASP A 27 -8.233 -7.032 -2.344 1.00 0.00 C ATOM 360 CG ASP A 27 -8.773 -8.311 -2.954 1.00 0.00 C ATOM 361 OD1 ASP A 27 -7.974 -9.072 -3.540 1.00 0.00 O ATOM 362 OD2 ASP A 27 -9.993 -8.551 -2.847 1.00 0.00 O ATOM 0 H ASP A 27 -8.903 -6.287 0.292 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.109 -8.260 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.048 -6.318 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.513 -6.582 -3.028 1.00 0.00 H new ATOM 367 N ALA A 28 -6.108 -6.027 0.502 1.00 0.00 N ATOM 368 CA ALA A 28 -5.072 -5.065 0.854 1.00 0.00 C ATOM 369 C ALA A 28 -3.921 -5.742 1.589 1.00 0.00 C ATOM 370 O ALA A 28 -2.951 -5.090 1.977 1.00 0.00 O ATOM 371 CB ALA A 28 -5.658 -3.946 1.702 1.00 0.00 C ATOM 0 H ALA A 28 -6.519 -6.514 1.298 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.678 -4.639 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.873 -3.234 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.441 -3.436 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.080 -4.365 2.616 1.00 0.00 H new ATOM 377 N TRP A 29 -4.035 -7.051 1.779 1.00 0.00 N ATOM 378 CA TRP A 29 -3.002 -7.816 2.469 1.00 0.00 C ATOM 379 C TRP A 29 -1.788 -8.026 1.571 1.00 0.00 C ATOM 380 O TRP A 29 -0.650 -8.116 2.031 1.00 0.00 O ATOM 381 CB TRP A 29 -3.557 -9.168 2.922 1.00 0.00 C ATOM 382 CG TRP A 29 -3.870 -10.092 1.784 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.110 -10.439 1.328 1.00 0.00 C ATOM 384 CD2 TRP A 29 -2.928 -10.789 0.961 1.00 0.00 C ATOM 385 NE1 TRP A 29 -4.995 -11.310 0.271 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.667 -11.539 0.026 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.533 -10.849 0.922 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.055 -12.340 -0.935 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -0.927 -11.645 -0.032 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.687 -12.381 -0.950 1.00 0.00 C ATOM 0 H TRP A 29 -4.832 -7.605 1.465 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.688 -7.248 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.834 -9.647 3.582 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.462 -9.004 3.507 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.043 -10.082 1.738 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.772 -11.719 -0.247 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.939 -10.284 1.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.639 -12.909 -1.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.151 -11.700 -0.070 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.184 -12.993 -1.684 1.00 0.00 H new ATOM 401 N PRO A 30 -2.031 -8.106 0.255 1.00 0.00 N ATOM 402 CA PRO A 30 -0.888 -8.307 -0.641 1.00 0.00 C ATOM 403 C PRO A 30 0.262 -7.354 -0.336 1.00 0.00 C ATOM 404 O PRO A 30 1.402 -7.591 -0.736 1.00 0.00 O ATOM 405 CB PRO A 30 -1.468 -8.019 -2.027 1.00 0.00 C ATOM 406 CG PRO A 30 -2.923 -8.315 -1.898 1.00 0.00 C ATOM 407 CD PRO A 30 -3.305 -8.023 -0.479 1.00 0.00 C ATOM 0 HA PRO A 30 -0.463 -9.306 -0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.299 -6.983 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.003 -8.645 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.504 -7.702 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.128 -9.356 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.758 -7.036 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.030 -8.745 -0.104 1.00 0.00 H new ATOM 415 N PHE A 31 -0.044 -6.274 0.376 1.00 0.00 N ATOM 416 CA PHE A 31 0.965 -5.283 0.734 1.00 0.00 C ATOM 417 C PHE A 31 1.172 -5.240 2.245 1.00 0.00 C ATOM 418 O PHE A 31 2.279 -4.990 2.725 1.00 0.00 O ATOM 419 CB PHE A 31 0.555 -3.900 0.224 1.00 0.00 C ATOM 420 CG PHE A 31 -0.311 -3.945 -1.002 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.688 -4.042 -0.891 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.253 -3.891 -2.267 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.487 -4.084 -2.017 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.541 -3.933 -3.398 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.913 -4.029 -3.272 1.00 0.00 C ATOM 0 H PHE A 31 -0.982 -6.063 0.716 1.00 0.00 H new ATOM 0 HA PHE A 31 1.905 -5.572 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.023 -3.373 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.453 -3.322 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.143 -4.085 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.325 -3.815 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.560 -4.160 -1.916 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.089 -3.891 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.536 -4.061 -4.154 1.00 0.00 H new ATOM 435 N LEU A 32 0.100 -5.484 2.990 1.00 0.00 N ATOM 436 CA LEU A 32 0.162 -5.473 4.448 1.00 0.00 C ATOM 437 C LEU A 32 1.524 -5.955 4.938 1.00 0.00 C ATOM 438 O LEU A 32 2.045 -5.462 5.939 1.00 0.00 O ATOM 439 CB LEU A 32 -0.944 -6.353 5.032 1.00 0.00 C ATOM 440 CG LEU A 32 -2.328 -5.711 5.137 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.330 -6.696 5.719 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.266 -4.448 5.982 1.00 0.00 C ATOM 0 H LEU A 32 -0.823 -5.692 2.609 1.00 0.00 H new ATOM 0 HA LEU A 32 0.017 -4.447 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.028 -7.251 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.638 -6.674 6.028 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.659 -5.438 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.309 -6.222 5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.395 -7.573 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.005 -7.000 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.259 -4.004 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.914 -4.697 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.580 -3.736 5.523 1.00 0.00 H new ATOM 454 N LEU A 33 2.096 -6.919 4.226 1.00 0.00 N ATOM 455 CA LEU A 33 3.399 -7.467 4.587 1.00 0.00 C ATOM 456 C LEU A 33 4.413 -7.241 3.470 1.00 0.00 C ATOM 457 O LEU A 33 4.086 -7.282 2.284 1.00 0.00 O ATOM 458 CB LEU A 33 3.280 -8.961 4.889 1.00 0.00 C ATOM 459 CG LEU A 33 2.680 -9.326 6.248 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.492 -10.830 6.362 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.562 -8.809 7.376 1.00 0.00 C ATOM 0 H LEU A 33 1.678 -7.338 3.395 1.00 0.00 H new ATOM 0 HA LEU A 33 3.749 -6.949 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.672 -9.421 4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.273 -9.405 4.822 1.00 0.00 H new ATOM 0 HG LEU A 33 1.702 -8.852 6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.064 -11.070 7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.820 -11.173 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.457 -11.326 6.257 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.120 -9.077 8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.554 -9.254 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.645 -7.724 7.305 1.00 0.00 H new ATOM 473 N PRO A 34 5.675 -7.000 3.855 1.00 0.00 N ATOM 474 CA PRO A 34 6.763 -6.767 2.901 1.00 0.00 C ATOM 475 C PRO A 34 7.136 -8.027 2.128 1.00 0.00 C ATOM 476 O PRO A 34 7.031 -9.139 2.646 1.00 0.00 O ATOM 477 CB PRO A 34 7.926 -6.321 3.792 1.00 0.00 C ATOM 478 CG PRO A 34 7.635 -6.922 5.123 1.00 0.00 C ATOM 479 CD PRO A 34 6.136 -6.937 5.252 1.00 0.00 C ATOM 0 HA PRO A 34 6.488 -6.038 2.139 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.881 -6.670 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.984 -5.234 3.852 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.043 -7.930 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.090 -6.338 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.791 -7.795 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.767 -6.044 5.757 1.00 0.00 H new ATOM 487 N VAL A 35 7.573 -7.846 0.886 1.00 0.00 N ATOM 488 CA VAL A 35 7.964 -8.968 0.041 1.00 0.00 C ATOM 489 C VAL A 35 9.446 -9.288 0.203 1.00 0.00 C ATOM 490 O VAL A 35 10.302 -8.614 -0.369 1.00 0.00 O ATOM 491 CB VAL A 35 7.670 -8.683 -1.443 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.212 -9.802 -2.320 1.00 0.00 C ATOM 493 CG2 VAL A 35 6.177 -8.496 -1.664 1.00 0.00 C ATOM 0 H VAL A 35 7.665 -6.932 0.442 1.00 0.00 H new ATOM 0 HA VAL A 35 7.373 -9.826 0.361 1.00 0.00 H new ATOM 0 HB VAL A 35 8.174 -7.758 -1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.995 -9.583 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.290 -9.882 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.740 -10.744 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.988 -8.295 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.649 -9.402 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.823 -7.656 -1.066 1.00 0.00 H new ATOM 503 N ASN A 36 9.741 -10.320 0.986 1.00 0.00 N ATOM 504 CA ASN A 36 11.121 -10.729 1.223 1.00 0.00 C ATOM 505 C ASN A 36 11.889 -10.839 -0.091 1.00 0.00 C ATOM 506 O ASN A 36 11.717 -11.798 -0.845 1.00 0.00 O ATOM 507 CB ASN A 36 11.158 -12.069 1.961 1.00 0.00 C ATOM 508 CG ASN A 36 12.386 -12.211 2.840 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.517 -12.106 2.365 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.167 -12.453 4.127 1.00 0.00 N ATOM 0 H ASN A 36 9.044 -10.888 1.467 1.00 0.00 H new ATOM 0 HA ASN A 36 11.598 -9.968 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.262 -12.168 2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.138 -12.881 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.954 -12.560 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.212 -12.532 4.476 1.00 0.00 H new ATOM 517 N LEU A 37 12.737 -9.852 -0.358 1.00 0.00 N ATOM 518 CA LEU A 37 13.533 -9.837 -1.580 1.00 0.00 C ATOM 519 C LEU A 37 14.466 -11.042 -1.637 1.00 0.00 C ATOM 520 O LEU A 37 14.760 -11.563 -2.713 1.00 0.00 O ATOM 521 CB LEU A 37 14.346 -8.544 -1.667 1.00 0.00 C ATOM 522 CG LEU A 37 13.601 -7.258 -1.307 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.549 -6.068 -1.330 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.437 -7.032 -2.260 1.00 0.00 C ATOM 0 H LEU A 37 12.891 -9.052 0.255 1.00 0.00 H new ATOM 0 HA LEU A 37 12.851 -9.888 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.210 -8.636 -1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.729 -8.446 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 37 13.204 -7.361 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.002 -5.162 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.350 -6.227 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 37 14.976 -5.962 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.918 -6.113 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.813 -6.950 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.745 -7.872 -2.195 1.00 0.00 H new ATOM 536 N LYS A 38 14.928 -11.482 -0.471 1.00 0.00 N ATOM 537 CA LYS A 38 15.825 -12.629 -0.387 1.00 0.00 C ATOM 538 C LYS A 38 15.107 -13.912 -0.793 1.00 0.00 C ATOM 539 O LYS A 38 15.703 -14.802 -1.401 1.00 0.00 O ATOM 540 CB LYS A 38 16.376 -12.767 1.035 1.00 0.00 C ATOM 541 CG LYS A 38 17.525 -11.822 1.336 1.00 0.00 C ATOM 542 CD LYS A 38 17.823 -11.763 2.825 1.00 0.00 C ATOM 543 CE LYS A 38 18.515 -13.028 3.306 1.00 0.00 C ATOM 544 NZ LYS A 38 17.561 -14.163 3.449 1.00 0.00 N ATOM 0 H LYS A 38 14.696 -11.062 0.429 1.00 0.00 H new ATOM 0 HA LYS A 38 16.653 -12.464 -1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.571 -12.585 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.711 -13.793 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.416 -12.148 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.281 -10.824 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.453 -10.899 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.894 -11.623 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.302 -13.301 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.997 -12.836 4.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.748 -14.663 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.587 -13.799 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.681 -14.820 2.652 1.00 0.00 H new ATOM 558 N LEU A 39 13.826 -14.000 -0.455 1.00 0.00 N ATOM 559 CA LEU A 39 13.026 -15.174 -0.786 1.00 0.00 C ATOM 560 C LEU A 39 12.589 -15.142 -2.247 1.00 0.00 C ATOM 561 O LEU A 39 12.992 -15.988 -3.045 1.00 0.00 O ATOM 562 CB LEU A 39 11.799 -15.253 0.124 1.00 0.00 C ATOM 563 CG LEU A 39 12.079 -15.305 1.626 1.00 0.00 C ATOM 564 CD1 LEU A 39 10.780 -15.231 2.414 1.00 0.00 C ATOM 565 CD2 LEU A 39 12.849 -16.569 1.982 1.00 0.00 C ATOM 0 H LEU A 39 13.318 -13.272 0.048 1.00 0.00 H new ATOM 0 HA LEU A 39 13.643 -16.059 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.166 -14.389 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.225 -16.139 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 39 12.691 -14.443 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.999 -15.269 3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.267 -14.298 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.142 -16.073 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.039 -16.589 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.262 -17.444 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.797 -16.581 1.445 1.00 0.00 H new ATOM 577 N VAL A 40 11.764 -14.158 -2.590 1.00 0.00 N ATOM 578 CA VAL A 40 11.275 -14.012 -3.956 1.00 0.00 C ATOM 579 C VAL A 40 12.428 -13.986 -4.953 1.00 0.00 C ATOM 580 O VAL A 40 13.425 -13.287 -4.769 1.00 0.00 O ATOM 581 CB VAL A 40 10.441 -12.728 -4.120 1.00 0.00 C ATOM 582 CG1 VAL A 40 9.975 -12.573 -5.559 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.256 -12.737 -3.165 1.00 0.00 C ATOM 0 H VAL A 40 11.420 -13.450 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 40 10.642 -14.876 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 40 11.071 -11.873 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.387 -11.660 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.841 -12.518 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.362 -13.430 -5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.678 -11.822 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.624 -13.599 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.617 -12.796 -2.138 1.00 0.00 H new ATOM 593 N PRO A 41 12.292 -14.766 -6.036 1.00 0.00 N ATOM 594 CA PRO A 41 13.313 -14.849 -7.085 1.00 0.00 C ATOM 595 C PRO A 41 13.411 -13.565 -7.901 1.00 0.00 C ATOM 596 O PRO A 41 12.836 -13.461 -8.984 1.00 0.00 O ATOM 597 CB PRO A 41 12.825 -16.005 -7.962 1.00 0.00 C ATOM 598 CG PRO A 41 11.352 -16.051 -7.745 1.00 0.00 C ATOM 599 CD PRO A 41 11.131 -15.626 -6.320 1.00 0.00 C ATOM 0 HA PRO A 41 14.311 -15.000 -6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.065 -15.834 -9.011 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.297 -16.945 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.835 -15.385 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.963 -17.054 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.192 -15.085 -6.203 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.091 -16.482 -5.647 1.00 0.00 H new ATOM 607 N GLY A 42 14.145 -12.589 -7.374 1.00 0.00 N ATOM 608 CA GLY A 42 14.305 -11.325 -8.068 1.00 0.00 C ATOM 609 C GLY A 42 13.039 -10.492 -8.057 1.00 0.00 C ATOM 610 O GLY A 42 12.269 -10.508 -9.017 1.00 0.00 O ATOM 0 H GLY A 42 14.631 -12.652 -6.479 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.112 -10.759 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.602 -11.516 -9.099 1.00 0.00 H new ATOM 614 N TYR A 43 12.821 -9.765 -6.967 1.00 0.00 N ATOM 615 CA TYR A 43 11.637 -8.925 -6.832 1.00 0.00 C ATOM 616 C TYR A 43 11.964 -7.468 -7.145 1.00 0.00 C ATOM 617 O TYR A 43 11.158 -6.751 -7.739 1.00 0.00 O ATOM 618 CB TYR A 43 11.063 -9.039 -5.419 1.00 0.00 C ATOM 619 CG TYR A 43 9.823 -8.202 -5.200 1.00 0.00 C ATOM 620 CD1 TYR A 43 9.903 -6.818 -5.103 1.00 0.00 C ATOM 621 CD2 TYR A 43 8.572 -8.795 -5.088 1.00 0.00 C ATOM 622 CE1 TYR A 43 8.773 -6.050 -4.902 1.00 0.00 C ATOM 623 CE2 TYR A 43 7.436 -8.034 -4.889 1.00 0.00 C ATOM 624 CZ TYR A 43 7.542 -6.662 -4.796 1.00 0.00 C ATOM 625 OH TYR A 43 6.413 -5.901 -4.596 1.00 0.00 O ATOM 0 H TYR A 43 13.449 -9.740 -6.164 1.00 0.00 H new ATOM 0 HA TYR A 43 10.892 -9.273 -7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.827 -10.083 -5.215 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.826 -8.738 -4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.865 -6.335 -5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.486 -9.869 -5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.853 -4.976 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.470 -8.511 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 43 5.629 -6.486 -4.545 1.00 0.00 H new ATOM 635 N LYS A 44 13.153 -7.035 -6.741 1.00 0.00 N ATOM 636 CA LYS A 44 13.591 -5.665 -6.978 1.00 0.00 C ATOM 637 C LYS A 44 13.794 -5.409 -8.468 1.00 0.00 C ATOM 638 O LYS A 44 13.227 -4.471 -9.030 1.00 0.00 O ATOM 639 CB LYS A 44 14.890 -5.384 -6.220 1.00 0.00 C ATOM 640 CG LYS A 44 14.829 -5.757 -4.749 1.00 0.00 C ATOM 641 CD LYS A 44 16.200 -6.126 -4.209 1.00 0.00 C ATOM 642 CE LYS A 44 17.093 -4.902 -4.070 1.00 0.00 C ATOM 643 NZ LYS A 44 16.720 -4.075 -2.889 1.00 0.00 N ATOM 0 H LYS A 44 13.832 -7.614 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 44 12.813 -4.994 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.703 -5.935 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.130 -4.324 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.425 -4.921 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.146 -6.596 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.092 -6.611 -3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.672 -6.848 -4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.132 -5.219 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.023 -4.297 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.393 -3.288 -2.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.761 -3.695 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.746 -4.663 -2.031 1.00 0.00 H new ATOM 657 N LYS A 45 14.605 -6.248 -9.103 1.00 0.00 N ATOM 658 CA LYS A 45 14.881 -6.115 -10.529 1.00 0.00 C ATOM 659 C LYS A 45 13.648 -5.618 -11.277 1.00 0.00 C ATOM 660 O LYS A 45 13.741 -4.730 -12.125 1.00 0.00 O ATOM 661 CB LYS A 45 15.337 -7.456 -11.108 1.00 0.00 C ATOM 662 CG LYS A 45 16.585 -8.012 -10.446 1.00 0.00 C ATOM 663 CD LYS A 45 17.303 -9.001 -11.350 1.00 0.00 C ATOM 664 CE LYS A 45 16.656 -10.376 -11.296 1.00 0.00 C ATOM 665 NZ LYS A 45 15.526 -10.496 -12.258 1.00 0.00 N ATOM 0 H LYS A 45 15.083 -7.028 -8.652 1.00 0.00 H new ATOM 0 HA LYS A 45 15.679 -5.383 -10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.529 -8.180 -11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.525 -7.336 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.259 -7.194 -10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.314 -8.503 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.292 -8.632 -12.376 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.348 -9.077 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.403 -11.138 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.295 -10.568 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.657 -10.743 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.391 -9.590 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.740 -11.239 -12.953 1.00 0.00 H new ATOM 679 N VAL A 46 12.494 -6.196 -10.958 1.00 0.00 N ATOM 680 CA VAL A 46 11.243 -5.809 -11.598 1.00 0.00 C ATOM 681 C VAL A 46 10.652 -4.566 -10.944 1.00 0.00 C ATOM 682 O VAL A 46 10.127 -3.684 -11.625 1.00 0.00 O ATOM 683 CB VAL A 46 10.207 -6.948 -11.540 1.00 0.00 C ATOM 684 CG1 VAL A 46 8.850 -6.461 -12.022 1.00 0.00 C ATOM 685 CG2 VAL A 46 10.679 -8.139 -12.361 1.00 0.00 C ATOM 0 H VAL A 46 12.400 -6.934 -10.260 1.00 0.00 H new ATOM 0 HA VAL A 46 11.475 -5.591 -12.640 1.00 0.00 H new ATOM 0 HB VAL A 46 10.103 -7.269 -10.504 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.132 -7.279 -11.974 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.511 -5.642 -11.387 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.933 -6.112 -13.051 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.935 -8.934 -12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.813 -7.835 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.627 -8.502 -11.964 1.00 0.00 H new ATOM 695 N ILE A 47 10.740 -4.501 -9.620 1.00 0.00 N ATOM 696 CA ILE A 47 10.216 -3.364 -8.874 1.00 0.00 C ATOM 697 C ILE A 47 11.332 -2.405 -8.476 1.00 0.00 C ATOM 698 O ILE A 47 12.165 -2.722 -7.627 1.00 0.00 O ATOM 699 CB ILE A 47 9.469 -3.819 -7.607 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.357 -4.805 -7.969 1.00 0.00 C ATOM 701 CG2 ILE A 47 8.898 -2.617 -6.868 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.308 -4.221 -8.891 1.00 0.00 C ATOM 0 H ILE A 47 11.170 -5.223 -9.042 1.00 0.00 H new ATOM 0 HA ILE A 47 9.517 -2.849 -9.533 1.00 0.00 H new ATOM 0 HB ILE A 47 10.176 -4.324 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.799 -5.681 -8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.874 -5.148 -7.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.373 -2.955 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.709 -1.948 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.203 -2.086 -7.519 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.551 -4.976 -9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.839 -3.363 -8.411 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.778 -3.904 -9.822 1.00 0.00 H new ATOM 714 N LYS A 48 11.343 -1.229 -9.095 1.00 0.00 N ATOM 715 CA LYS A 48 12.355 -0.221 -8.804 1.00 0.00 C ATOM 716 C LYS A 48 12.300 0.199 -7.339 1.00 0.00 C ATOM 717 O LYS A 48 13.323 0.245 -6.656 1.00 0.00 O ATOM 718 CB LYS A 48 12.160 1.002 -9.704 1.00 0.00 C ATOM 719 CG LYS A 48 12.816 0.865 -11.067 1.00 0.00 C ATOM 720 CD LYS A 48 14.300 1.188 -11.006 1.00 0.00 C ATOM 721 CE LYS A 48 14.553 2.679 -11.165 1.00 0.00 C ATOM 722 NZ LYS A 48 16.001 2.981 -11.341 1.00 0.00 N ATOM 0 H LYS A 48 10.662 -0.951 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 48 13.334 -0.658 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.093 1.176 -9.840 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.565 1.881 -9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.679 -0.151 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.326 1.532 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.709 0.848 -10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.825 0.643 -11.791 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.997 3.052 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.176 3.207 -10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.131 4.007 -11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.529 2.648 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.355 2.498 -12.191 1.00 0.00 H new ATOM 736 N LYS A 49 11.098 0.504 -6.861 1.00 0.00 N ATOM 737 CA LYS A 49 10.908 0.918 -5.476 1.00 0.00 C ATOM 738 C LYS A 49 9.812 0.093 -4.807 1.00 0.00 C ATOM 739 O LYS A 49 8.625 0.410 -4.891 1.00 0.00 O ATOM 740 CB LYS A 49 10.554 2.405 -5.410 1.00 0.00 C ATOM 741 CG LYS A 49 11.766 3.315 -5.312 1.00 0.00 C ATOM 742 CD LYS A 49 11.361 4.779 -5.255 1.00 0.00 C ATOM 743 CE LYS A 49 11.022 5.209 -3.836 1.00 0.00 C ATOM 744 NZ LYS A 49 10.886 6.687 -3.723 1.00 0.00 N ATOM 0 H LYS A 49 10.241 0.472 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 49 11.843 0.750 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.980 2.673 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.909 2.579 -4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.342 3.061 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.417 3.150 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.172 5.397 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.500 4.945 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.092 4.734 -3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.800 4.863 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.655 6.940 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.782 7.140 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.126 7.015 -4.353 1.00 0.00 H new ATOM 758 N PRO A 50 10.217 -0.989 -4.127 1.00 0.00 N ATOM 759 CA PRO A 50 9.284 -1.880 -3.429 1.00 0.00 C ATOM 760 C PRO A 50 8.661 -1.221 -2.203 1.00 0.00 C ATOM 761 O PRO A 50 9.301 -1.100 -1.159 1.00 0.00 O ATOM 762 CB PRO A 50 10.166 -3.060 -3.012 1.00 0.00 C ATOM 763 CG PRO A 50 11.541 -2.494 -2.928 1.00 0.00 C ATOM 764 CD PRO A 50 11.615 -1.427 -3.985 1.00 0.00 C ATOM 0 HA PRO A 50 8.441 -2.162 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.849 -3.473 -2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.115 -3.869 -3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.732 -2.077 -1.939 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.292 -3.266 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.264 -0.606 -3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.011 -1.817 -4.923 1.00 0.00 H new ATOM 772 N MET A 51 7.408 -0.797 -2.338 1.00 0.00 N ATOM 773 CA MET A 51 6.698 -0.152 -1.240 1.00 0.00 C ATOM 774 C MET A 51 5.624 -1.074 -0.671 1.00 0.00 C ATOM 775 O MET A 51 5.194 -2.021 -1.329 1.00 0.00 O ATOM 776 CB MET A 51 6.064 1.157 -1.713 1.00 0.00 C ATOM 777 CG MET A 51 5.544 2.025 -0.579 1.00 0.00 C ATOM 778 SD MET A 51 6.793 2.346 0.681 1.00 0.00 S ATOM 779 CE MET A 51 8.054 3.165 -0.293 1.00 0.00 C ATOM 0 H MET A 51 6.864 -0.889 -3.196 1.00 0.00 H new ATOM 0 HA MET A 51 7.419 0.066 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.801 1.722 -2.284 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.242 0.929 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.191 2.973 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.686 1.537 -0.118 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.903 3.411 0.344 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.382 2.503 -1.095 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.645 4.080 -0.722 1.00 0.00 H new ATOM 789 N ASP A 52 5.196 -0.790 0.554 1.00 0.00 N ATOM 790 CA ASP A 52 4.171 -1.594 1.211 1.00 0.00 C ATOM 791 C ASP A 52 3.513 -0.813 2.345 1.00 0.00 C ATOM 792 O ASP A 52 4.096 0.126 2.886 1.00 0.00 O ATOM 793 CB ASP A 52 4.778 -2.889 1.752 1.00 0.00 C ATOM 794 CG ASP A 52 5.737 -3.533 0.771 1.00 0.00 C ATOM 795 OD1 ASP A 52 6.898 -3.080 0.692 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.328 -4.491 0.082 1.00 0.00 O ATOM 0 H ASP A 52 5.542 -0.010 1.112 1.00 0.00 H new ATOM 0 HA ASP A 52 3.408 -1.841 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.303 -2.679 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.978 -3.591 1.988 1.00 0.00 H new ATOM 801 N PHE A 53 2.294 -1.209 2.698 1.00 0.00 N ATOM 802 CA PHE A 53 1.555 -0.545 3.766 1.00 0.00 C ATOM 803 C PHE A 53 2.316 -0.626 5.086 1.00 0.00 C ATOM 804 O PHE A 53 2.380 0.345 5.839 1.00 0.00 O ATOM 805 CB PHE A 53 0.170 -1.175 3.924 1.00 0.00 C ATOM 806 CG PHE A 53 -0.758 -0.877 2.781 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.851 0.405 2.263 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.537 -1.878 2.224 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.704 0.682 1.212 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.392 -1.607 1.172 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.475 -0.325 0.665 1.00 0.00 C ATOM 0 H PHE A 53 1.798 -1.985 2.261 1.00 0.00 H new ATOM 0 HA PHE A 53 1.441 0.505 3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.280 -2.255 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.280 -0.817 4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.250 1.197 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.476 -2.882 2.616 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.768 1.686 0.818 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.994 -2.397 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.141 -0.110 -0.157 1.00 0.00 H new ATOM 821 N SER A 54 2.892 -1.793 5.360 1.00 0.00 N ATOM 822 CA SER A 54 3.645 -2.004 6.590 1.00 0.00 C ATOM 823 C SER A 54 4.732 -0.945 6.750 1.00 0.00 C ATOM 824 O SER A 54 5.058 -0.535 7.865 1.00 0.00 O ATOM 825 CB SER A 54 4.272 -3.399 6.596 1.00 0.00 C ATOM 826 OG SER A 54 5.338 -3.475 7.527 1.00 0.00 O ATOM 0 H SER A 54 2.851 -2.606 4.746 1.00 0.00 H new ATOM 0 HA SER A 54 2.954 -1.920 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.514 -4.141 6.846 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.638 -3.641 5.598 1.00 0.00 H new ATOM 0 HG SER A 54 5.721 -4.377 7.513 1.00 0.00 H new ATOM 832 N THR A 55 5.290 -0.505 5.627 1.00 0.00 N ATOM 833 CA THR A 55 6.341 0.505 5.640 1.00 0.00 C ATOM 834 C THR A 55 5.752 1.911 5.627 1.00 0.00 C ATOM 835 O THR A 55 5.971 2.695 6.551 1.00 0.00 O ATOM 836 CB THR A 55 7.289 0.346 4.437 1.00 0.00 C ATOM 837 OG1 THR A 55 7.889 -0.954 4.454 1.00 0.00 O ATOM 838 CG2 THR A 55 8.375 1.411 4.458 1.00 0.00 C ATOM 0 H THR A 55 5.032 -0.832 4.696 1.00 0.00 H new ATOM 0 HA THR A 55 6.907 0.360 6.560 1.00 0.00 H new ATOM 0 HB THR A 55 6.704 0.464 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.489 -1.047 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.032 1.278 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.917 2.399 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.956 1.320 5.376 1.00 0.00 H new ATOM 846 N ILE A 56 5.005 2.224 4.574 1.00 0.00 N ATOM 847 CA ILE A 56 4.383 3.536 4.442 1.00 0.00 C ATOM 848 C ILE A 56 3.893 4.051 5.791 1.00 0.00 C ATOM 849 O ILE A 56 4.031 5.234 6.103 1.00 0.00 O ATOM 850 CB ILE A 56 3.199 3.502 3.458 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.674 3.070 2.069 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.524 4.864 3.393 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.544 2.731 1.122 1.00 0.00 C ATOM 0 H ILE A 56 4.816 1.587 3.800 1.00 0.00 H new ATOM 0 HA ILE A 56 5.148 4.209 4.055 1.00 0.00 H new ATOM 0 HB ILE A 56 2.470 2.774 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.274 3.869 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.325 2.202 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.689 4.823 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.155 5.135 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.243 5.611 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.955 2.433 0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.957 1.911 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.905 3.604 0.991 1.00 0.00 H new ATOM 865 N ARG A 57 3.323 3.153 6.589 1.00 0.00 N ATOM 866 CA ARG A 57 2.813 3.516 7.906 1.00 0.00 C ATOM 867 C ARG A 57 3.937 4.030 8.801 1.00 0.00 C ATOM 868 O ARG A 57 3.892 5.162 9.281 1.00 0.00 O ATOM 869 CB ARG A 57 2.134 2.313 8.562 1.00 0.00 C ATOM 870 CG ARG A 57 1.487 2.634 9.900 1.00 0.00 C ATOM 871 CD ARG A 57 0.226 3.466 9.724 1.00 0.00 C ATOM 872 NE ARG A 57 0.501 4.899 9.799 1.00 0.00 N ATOM 873 CZ ARG A 57 0.591 5.571 10.941 1.00 0.00 C ATOM 874 NH1 ARG A 57 0.429 4.944 12.098 1.00 0.00 N ATOM 875 NH2 ARG A 57 0.844 6.874 10.927 1.00 0.00 N ATOM 0 H ARG A 57 3.203 2.170 6.346 1.00 0.00 H new ATOM 0 HA ARG A 57 2.080 4.313 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.375 1.921 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.872 1.523 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.243 1.707 10.419 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.196 3.174 10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.230 3.234 8.761 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.497 3.195 10.493 1.00 0.00 H new ATOM 0 HE ARG A 57 0.631 5.411 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.235 3.943 12.113 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.499 5.463 12.973 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.969 7.360 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.913 7.390 11.804 1.00 0.00 H new ATOM 889 N GLU A 58 4.943 3.190 9.021 1.00 0.00 N ATOM 890 CA GLU A 58 6.077 3.560 9.860 1.00 0.00 C ATOM 891 C GLU A 58 6.587 4.953 9.502 1.00 0.00 C ATOM 892 O GLU A 58 6.867 5.769 10.380 1.00 0.00 O ATOM 893 CB GLU A 58 7.206 2.537 9.710 1.00 0.00 C ATOM 894 CG GLU A 58 6.850 1.157 10.235 1.00 0.00 C ATOM 895 CD GLU A 58 6.618 1.145 11.733 1.00 0.00 C ATOM 896 OE1 GLU A 58 7.548 1.511 12.481 1.00 0.00 O ATOM 897 OE2 GLU A 58 5.505 0.769 12.158 1.00 0.00 O ATOM 0 H GLU A 58 4.996 2.249 8.630 1.00 0.00 H new ATOM 0 HA GLU A 58 5.741 3.570 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.475 2.458 8.657 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.087 2.901 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.953 0.800 9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.652 0.461 9.990 1.00 0.00 H new ATOM 904 N LYS A 59 6.707 5.217 8.205 1.00 0.00 N ATOM 905 CA LYS A 59 7.182 6.511 7.728 1.00 0.00 C ATOM 906 C LYS A 59 6.137 7.596 7.968 1.00 0.00 C ATOM 907 O LYS A 59 6.462 8.696 8.419 1.00 0.00 O ATOM 908 CB LYS A 59 7.521 6.435 6.238 1.00 0.00 C ATOM 909 CG LYS A 59 8.661 5.481 5.922 1.00 0.00 C ATOM 910 CD LYS A 59 8.532 4.904 4.522 1.00 0.00 C ATOM 911 CE LYS A 59 8.730 5.973 3.458 1.00 0.00 C ATOM 912 NZ LYS A 59 8.940 5.380 2.108 1.00 0.00 N ATOM 0 H LYS A 59 6.482 4.552 7.465 1.00 0.00 H new ATOM 0 HA LYS A 59 8.082 6.768 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.634 6.123 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.783 7.431 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.612 6.005 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.672 4.671 6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.268 4.112 4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.548 4.449 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.859 6.628 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.588 6.592 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.071 6.141 1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.785 4.774 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.110 4.810 1.846 1.00 0.00 H new ATOM 926 N LEU A 60 4.883 7.281 7.665 1.00 0.00 N ATOM 927 CA LEU A 60 3.790 8.229 7.849 1.00 0.00 C ATOM 928 C LEU A 60 3.822 8.832 9.250 1.00 0.00 C ATOM 929 O LEU A 60 3.914 10.049 9.411 1.00 0.00 O ATOM 930 CB LEU A 60 2.445 7.541 7.609 1.00 0.00 C ATOM 931 CG LEU A 60 1.333 8.421 7.038 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.009 7.711 7.126 1.00 0.00 C ATOM 933 CD2 LEU A 60 1.281 9.755 7.768 1.00 0.00 C ATOM 0 H LEU A 60 4.598 6.376 7.291 1.00 0.00 H new ATOM 0 HA LEU A 60 3.914 9.033 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.604 6.704 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.100 7.122 8.554 1.00 0.00 H new ATOM 0 HG LEU A 60 1.551 8.612 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.788 8.353 6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.033 6.782 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.235 7.488 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.484 10.369 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.088 9.583 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.234 10.270 7.652 1.00 0.00 H new ATOM 945 N SER A 61 3.748 7.972 10.261 1.00 0.00 N ATOM 946 CA SER A 61 3.767 8.419 11.649 1.00 0.00 C ATOM 947 C SER A 61 5.079 9.128 11.973 1.00 0.00 C ATOM 948 O SER A 61 5.093 10.141 12.672 1.00 0.00 O ATOM 949 CB SER A 61 3.569 7.232 12.592 1.00 0.00 C ATOM 950 OG SER A 61 3.627 7.642 13.948 1.00 0.00 O ATOM 0 H SER A 61 3.674 6.961 10.145 1.00 0.00 H new ATOM 0 HA SER A 61 2.948 9.125 11.789 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.606 6.761 12.392 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.336 6.481 12.403 1.00 0.00 H new ATOM 0 HG SER A 61 3.496 6.865 14.531 1.00 0.00 H new ATOM 956 N SER A 62 6.179 8.587 11.460 1.00 0.00 N ATOM 957 CA SER A 62 7.497 9.164 11.697 1.00 0.00 C ATOM 958 C SER A 62 7.564 10.597 11.178 1.00 0.00 C ATOM 959 O SER A 62 8.426 11.376 11.582 1.00 0.00 O ATOM 960 CB SER A 62 8.577 8.314 11.025 1.00 0.00 C ATOM 961 OG SER A 62 9.856 8.590 11.571 1.00 0.00 O ATOM 0 H SER A 62 6.184 7.750 10.877 1.00 0.00 H new ATOM 0 HA SER A 62 7.673 9.178 12.773 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.344 7.257 11.153 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.585 8.512 9.953 1.00 0.00 H new ATOM 0 HG SER A 62 10.529 8.033 11.126 1.00 0.00 H new ATOM 967 N GLY A 63 6.647 10.937 10.278 1.00 0.00 N ATOM 968 CA GLY A 63 6.618 12.275 9.717 1.00 0.00 C ATOM 969 C GLY A 63 7.554 12.428 8.534 1.00 0.00 C ATOM 970 O GLY A 63 8.145 13.489 8.336 1.00 0.00 O ATOM 0 H GLY A 63 5.923 10.310 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.601 12.513 9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.891 12.995 10.488 1.00 0.00 H new ATOM 974 N GLN A 64 7.689 11.365 7.748 1.00 0.00 N ATOM 975 CA GLN A 64 8.562 11.386 6.580 1.00 0.00 C ATOM 976 C GLN A 64 7.906 12.132 5.423 1.00 0.00 C ATOM 977 O GLN A 64 8.587 12.740 4.597 1.00 0.00 O ATOM 978 CB GLN A 64 8.908 9.959 6.150 1.00 0.00 C ATOM 979 CG GLN A 64 9.747 9.204 7.169 1.00 0.00 C ATOM 980 CD GLN A 64 10.656 8.173 6.527 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.674 8.020 5.306 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.416 7.460 7.350 1.00 0.00 N ATOM 0 H GLN A 64 7.206 10.479 7.898 1.00 0.00 H new ATOM 0 HA GLN A 64 9.479 11.909 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.985 9.408 5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.446 9.994 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.351 9.914 7.734 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.088 8.708 7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.368 7.621 8.356 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.047 6.752 6.976 1.00 0.00 H new ATOM 991 N TYR A 65 6.579 12.082 5.370 1.00 0.00 N ATOM 992 CA TYR A 65 5.831 12.751 4.312 1.00 0.00 C ATOM 993 C TYR A 65 5.555 14.207 4.678 1.00 0.00 C ATOM 994 O TYR A 65 4.769 14.510 5.576 1.00 0.00 O ATOM 995 CB TYR A 65 4.513 12.021 4.051 1.00 0.00 C ATOM 996 CG TYR A 65 4.691 10.569 3.667 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.434 10.213 2.548 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.116 9.554 4.421 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.599 8.888 2.193 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.277 8.227 4.074 1.00 0.00 C ATOM 1001 CZ TYR A 65 5.019 7.899 2.959 1.00 0.00 C ATOM 1002 OH TYR A 65 5.181 6.578 2.610 1.00 0.00 O ATOM 0 H TYR A 65 6.000 11.585 6.047 1.00 0.00 H new ATOM 0 HA TYR A 65 6.436 12.731 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.892 12.078 4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.974 12.535 3.255 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.890 10.985 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.533 9.807 5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.179 8.628 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.824 7.450 4.673 1.00 0.00 H new ATOM 0 HH TYR A 65 6.042 6.463 2.157 1.00 0.00 H new ATOM 1012 N PRO A 66 6.215 15.130 3.964 1.00 0.00 N ATOM 1013 CA PRO A 66 6.058 16.570 4.193 1.00 0.00 C ATOM 1014 C PRO A 66 4.686 17.078 3.764 1.00 0.00 C ATOM 1015 O PRO A 66 4.215 18.106 4.248 1.00 0.00 O ATOM 1016 CB PRO A 66 7.154 17.189 3.323 1.00 0.00 C ATOM 1017 CG PRO A 66 7.397 16.187 2.248 1.00 0.00 C ATOM 1018 CD PRO A 66 7.167 14.841 2.878 1.00 0.00 C ATOM 0 HA PRO A 66 6.138 16.826 5.249 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.837 18.146 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.059 17.377 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.722 16.345 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.413 16.268 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.757 14.128 2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.094 14.412 3.260 1.00 0.00 H new ATOM 1026 N ASN A 67 4.049 16.350 2.852 1.00 0.00 N ATOM 1027 CA ASN A 67 2.730 16.728 2.358 1.00 0.00 C ATOM 1028 C ASN A 67 1.953 15.502 1.888 1.00 0.00 C ATOM 1029 O ASN A 67 2.421 14.370 2.017 1.00 0.00 O ATOM 1030 CB ASN A 67 2.861 17.733 1.211 1.00 0.00 C ATOM 1031 CG ASN A 67 4.032 17.420 0.299 1.00 0.00 C ATOM 1032 OD1 ASN A 67 5.218 17.877 0.682 1.00 0.00 O flip ATOM 1033 ND2 ASN A 67 3.871 16.774 -0.737 1.00 0.00 N flip ATOM 0 H ASN A 67 4.425 15.496 2.441 1.00 0.00 H new ATOM 0 HA ASN A 67 2.181 17.191 3.178 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.940 17.736 0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.982 18.735 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.941 16.442 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.668 16.570 -1.340 1.00 0.00 H new ATOM 1040 N LEU A 68 0.764 15.735 1.343 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.079 14.650 0.853 1.00 0.00 C ATOM 1042 C LEU A 68 0.494 14.051 -0.427 1.00 0.00 C ATOM 1043 O LEU A 68 0.645 12.835 -0.541 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.501 15.155 0.602 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.159 15.910 1.757 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.442 16.582 1.294 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.437 14.968 2.920 1.00 0.00 C ATOM 0 H LEU A 68 0.362 16.666 1.229 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.106 13.872 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.484 15.809 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.129 14.301 0.348 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.471 16.684 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.896 17.114 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.215 17.287 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.136 15.827 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.905 15.522 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.105 14.172 2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.500 14.534 3.269 1.00 0.00 H new ATOM 1059 N GLU A 69 0.812 14.914 -1.387 1.00 0.00 N ATOM 1060 CA GLU A 69 1.370 14.469 -2.659 1.00 0.00 C ATOM 1061 C GLU A 69 2.315 13.287 -2.455 1.00 0.00 C ATOM 1062 O GLU A 69 2.119 12.215 -3.028 1.00 0.00 O ATOM 1063 CB GLU A 69 2.113 15.617 -3.345 1.00 0.00 C ATOM 1064 CG GLU A 69 2.219 15.458 -4.853 1.00 0.00 C ATOM 1065 CD GLU A 69 2.769 16.697 -5.532 1.00 0.00 C ATOM 1066 OE1 GLU A 69 3.840 17.181 -5.109 1.00 0.00 O ATOM 1067 OE2 GLU A 69 2.128 17.183 -6.488 1.00 0.00 O ATOM 0 H GLU A 69 0.693 15.924 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 69 0.546 14.148 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.603 16.554 -3.122 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.116 15.692 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.862 14.608 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.234 15.231 -5.261 1.00 0.00 H new ATOM 1074 N THR A 70 3.341 13.492 -1.635 1.00 0.00 N ATOM 1075 CA THR A 70 4.317 12.447 -1.357 1.00 0.00 C ATOM 1076 C THR A 70 3.633 11.166 -0.893 1.00 0.00 C ATOM 1077 O THR A 70 3.784 10.111 -1.510 1.00 0.00 O ATOM 1078 CB THR A 70 5.328 12.893 -0.284 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.635 13.420 0.853 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.277 13.945 -0.839 1.00 0.00 C ATOM 0 H THR A 70 3.517 14.373 -1.152 1.00 0.00 H new ATOM 0 HA THR A 70 4.849 12.255 -2.289 1.00 0.00 H new ATOM 0 HB THR A 70 5.912 12.023 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.363 14.344 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.982 14.245 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.824 13.531 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.706 14.814 -1.166 1.00 0.00 H new ATOM 1088 N PHE A 71 2.881 11.264 0.198 1.00 0.00 N ATOM 1089 CA PHE A 71 2.173 10.112 0.745 1.00 0.00 C ATOM 1090 C PHE A 71 1.411 9.372 -0.349 1.00 0.00 C ATOM 1091 O PHE A 71 1.483 8.148 -0.452 1.00 0.00 O ATOM 1092 CB PHE A 71 1.206 10.556 1.845 1.00 0.00 C ATOM 1093 CG PHE A 71 0.309 9.456 2.334 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.734 8.586 3.325 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.960 9.291 1.802 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.090 7.572 3.778 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.788 8.279 2.251 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.352 7.418 3.239 1.00 0.00 C ATOM 0 H PHE A 71 2.746 12.129 0.721 1.00 0.00 H new ATOM 0 HA PHE A 71 2.911 9.433 1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.779 10.947 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.592 11.375 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.721 8.701 3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.306 9.960 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.253 6.902 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.775 8.162 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.997 6.626 3.589 1.00 0.00 H new ATOM 1108 N ALA A 72 0.680 10.124 -1.165 1.00 0.00 N ATOM 1109 CA ALA A 72 -0.095 9.540 -2.253 1.00 0.00 C ATOM 1110 C ALA A 72 0.809 8.813 -3.243 1.00 0.00 C ATOM 1111 O ALA A 72 0.514 7.694 -3.664 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.901 10.617 -2.964 1.00 0.00 C ATOM 0 H ALA A 72 0.608 11.139 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.782 8.810 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.475 10.167 -3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.582 11.089 -2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.224 11.368 -3.372 1.00 0.00 H new ATOM 1118 N LEU A 73 1.911 9.456 -3.612 1.00 0.00 N ATOM 1119 CA LEU A 73 2.860 8.871 -4.554 1.00 0.00 C ATOM 1120 C LEU A 73 3.230 7.450 -4.141 1.00 0.00 C ATOM 1121 O LEU A 73 3.253 6.539 -4.969 1.00 0.00 O ATOM 1122 CB LEU A 73 4.120 9.734 -4.642 1.00 0.00 C ATOM 1123 CG LEU A 73 3.973 11.062 -5.385 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.116 12.001 -5.031 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.919 10.829 -6.888 1.00 0.00 C ATOM 0 H LEU A 73 2.170 10.383 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 73 2.385 8.833 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.464 9.943 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.902 9.152 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 73 3.037 11.528 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.995 12.941 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.110 12.194 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.064 11.542 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.814 11.785 -7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.838 10.341 -7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.066 10.194 -7.127 1.00 0.00 H new ATOM 1137 N ASP A 74 3.517 7.269 -2.857 1.00 0.00 N ATOM 1138 CA ASP A 74 3.884 5.958 -2.333 1.00 0.00 C ATOM 1139 C ASP A 74 2.720 4.979 -2.458 1.00 0.00 C ATOM 1140 O ASP A 74 2.884 3.863 -2.951 1.00 0.00 O ATOM 1141 CB ASP A 74 4.316 6.072 -0.871 1.00 0.00 C ATOM 1142 CG ASP A 74 5.537 6.954 -0.696 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.406 8.186 -0.848 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.625 6.411 -0.407 1.00 0.00 O ATOM 0 H ASP A 74 3.503 8.013 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 74 4.720 5.579 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.492 6.475 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.530 5.078 -0.480 1.00 0.00 H new ATOM 1149 N VAL A 75 1.545 5.404 -2.005 1.00 0.00 N ATOM 1150 CA VAL A 75 0.354 4.565 -2.065 1.00 0.00 C ATOM 1151 C VAL A 75 0.086 4.092 -3.490 1.00 0.00 C ATOM 1152 O VAL A 75 0.067 2.892 -3.763 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.887 5.313 -1.543 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -2.129 4.446 -1.676 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.680 5.745 -0.099 1.00 0.00 C ATOM 0 H VAL A 75 1.392 6.324 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 75 0.543 3.701 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.032 6.208 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.995 4.992 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.285 4.192 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.998 3.532 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.567 6.272 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.509 4.866 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.184 6.407 -0.037 1.00 0.00 H new ATOM 1165 N ARG A 76 -0.119 5.043 -4.395 1.00 0.00 N ATOM 1166 CA ARG A 76 -0.386 4.724 -5.792 1.00 0.00 C ATOM 1167 C ARG A 76 0.705 3.822 -6.362 1.00 0.00 C ATOM 1168 O ARG A 76 0.470 3.065 -7.305 1.00 0.00 O ATOM 1169 CB ARG A 76 -0.486 6.006 -6.620 1.00 0.00 C ATOM 1170 CG ARG A 76 -1.494 7.006 -6.076 1.00 0.00 C ATOM 1171 CD ARG A 76 -1.161 8.425 -6.509 1.00 0.00 C ATOM 1172 NE ARG A 76 -2.360 9.239 -6.687 1.00 0.00 N ATOM 1173 CZ ARG A 76 -3.058 9.282 -7.817 1.00 0.00 C ATOM 1174 NH1 ARG A 76 -2.677 8.562 -8.863 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -4.139 10.047 -7.902 1.00 0.00 N ATOM 0 H ARG A 76 -0.105 6.041 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.336 4.192 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.495 6.479 -6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.759 5.747 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.493 6.743 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.511 6.951 -4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.515 8.889 -5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.600 8.397 -7.443 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.679 9.806 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.846 7.973 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.215 8.597 -9.729 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.435 10.603 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.674 10.079 -8.770 1.00 0.00 H new ATOM 1189 N LEU A 77 1.898 3.908 -5.784 1.00 0.00 N ATOM 1190 CA LEU A 77 3.026 3.100 -6.234 1.00 0.00 C ATOM 1191 C LEU A 77 2.900 1.663 -5.736 1.00 0.00 C ATOM 1192 O LEU A 77 3.396 0.730 -6.368 1.00 0.00 O ATOM 1193 CB LEU A 77 4.342 3.708 -5.745 1.00 0.00 C ATOM 1194 CG LEU A 77 5.606 2.900 -6.042 1.00 0.00 C ATOM 1195 CD1 LEU A 77 5.956 2.983 -7.520 1.00 0.00 C ATOM 1196 CD2 LEU A 77 6.766 3.392 -5.189 1.00 0.00 C ATOM 0 H LEU A 77 2.109 4.529 -5.003 1.00 0.00 H new ATOM 0 HA LEU A 77 3.021 3.089 -7.324 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.452 4.695 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.273 3.854 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 77 5.415 1.856 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.858 2.402 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.133 2.583 -8.112 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.128 4.024 -7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.657 2.806 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.958 4.442 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.515 3.281 -4.134 1.00 0.00 H new ATOM 1208 N VAL A 78 2.231 1.493 -4.600 1.00 0.00 N ATOM 1209 CA VAL A 78 2.037 0.170 -4.018 1.00 0.00 C ATOM 1210 C VAL A 78 1.196 -0.714 -4.932 1.00 0.00 C ATOM 1211 O VAL A 78 1.517 -1.882 -5.151 1.00 0.00 O ATOM 1212 CB VAL A 78 1.356 0.258 -2.639 1.00 0.00 C ATOM 1213 CG1 VAL A 78 0.954 -1.126 -2.153 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.273 0.939 -1.635 1.00 0.00 C ATOM 0 H VAL A 78 1.814 2.255 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 78 3.026 -0.272 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 78 0.452 0.859 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.475 -1.044 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.258 -1.573 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.841 -1.754 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.776 0.993 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.196 0.367 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.506 1.947 -1.980 1.00 0.00 H new ATOM 1224 N PHE A 79 0.118 -0.148 -5.466 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.770 -0.885 -6.357 1.00 0.00 C ATOM 1226 C PHE A 79 -0.220 -0.903 -7.780 1.00 0.00 C ATOM 1227 O PHE A 79 -0.610 -1.736 -8.598 1.00 0.00 O ATOM 1228 CB PHE A 79 -2.168 -0.264 -6.346 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.625 0.159 -4.980 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -2.711 -0.761 -3.947 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.968 1.478 -4.727 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.132 -0.374 -2.689 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.390 1.871 -3.471 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.471 0.944 -2.450 1.00 0.00 C ATOM 0 H PHE A 79 -0.161 0.818 -5.297 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.834 -1.912 -5.998 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.177 0.602 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.879 -0.983 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.446 -1.792 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.905 2.207 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.196 -1.101 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.656 2.902 -3.288 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.799 1.249 -1.467 1.00 0.00 H new ATOM 1244 N ASP A 80 0.688 0.024 -8.069 1.00 0.00 N ATOM 1245 CA ASP A 80 1.292 0.116 -9.393 1.00 0.00 C ATOM 1246 C ASP A 80 2.410 -0.910 -9.552 1.00 0.00 C ATOM 1247 O ASP A 80 2.534 -1.551 -10.595 1.00 0.00 O ATOM 1248 CB ASP A 80 1.838 1.524 -9.631 1.00 0.00 C ATOM 1249 CG ASP A 80 3.032 1.533 -10.564 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.824 1.479 -11.794 1.00 0.00 O ATOM 1251 OD2 ASP A 80 4.176 1.592 -10.065 1.00 0.00 O ATOM 0 H ASP A 80 1.021 0.722 -7.404 1.00 0.00 H new ATOM 0 HA ASP A 80 0.520 -0.096 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.050 2.150 -10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.124 1.966 -8.676 1.00 0.00 H new ATOM 1256 N ASN A 81 3.223 -1.059 -8.510 1.00 0.00 N ATOM 1257 CA ASN A 81 4.332 -2.005 -8.535 1.00 0.00 C ATOM 1258 C ASN A 81 3.821 -3.443 -8.500 1.00 0.00 C ATOM 1259 O ASN A 81 4.282 -4.295 -9.260 1.00 0.00 O ATOM 1260 CB ASN A 81 5.270 -1.756 -7.352 1.00 0.00 C ATOM 1261 CG ASN A 81 6.066 -0.475 -7.507 1.00 0.00 C ATOM 1262 OD1 ASN A 81 5.974 0.208 -8.527 1.00 0.00 O ATOM 1263 ND2 ASN A 81 6.855 -0.143 -6.491 1.00 0.00 N ATOM 0 H ASN A 81 3.134 -0.537 -7.639 1.00 0.00 H new ATOM 0 HA ASN A 81 4.883 -1.856 -9.464 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.687 -1.709 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.956 -2.597 -7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.416 0.708 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.900 -0.739 -5.664 1.00 0.00 H new ATOM 1270 N CYS A 82 2.868 -3.704 -7.612 1.00 0.00 N ATOM 1271 CA CYS A 82 2.294 -5.038 -7.477 1.00 0.00 C ATOM 1272 C CYS A 82 1.818 -5.565 -8.827 1.00 0.00 C ATOM 1273 O CYS A 82 2.013 -6.736 -9.150 1.00 0.00 O ATOM 1274 CB CYS A 82 1.131 -5.017 -6.484 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.467 -4.615 -7.228 1.00 0.00 S ATOM 0 H CYS A 82 2.477 -3.010 -6.975 1.00 0.00 H new ATOM 0 HA CYS A 82 3.070 -5.705 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.061 -5.992 -6.003 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.349 -4.290 -5.701 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.384 -3.473 -7.844 1.00 0.00 H new ATOM 1281 N GLU A 83 1.190 -4.692 -9.609 1.00 0.00 N ATOM 1282 CA GLU A 83 0.684 -5.071 -10.922 1.00 0.00 C ATOM 1283 C GLU A 83 1.832 -5.366 -11.884 1.00 0.00 C ATOM 1284 O GLU A 83 1.699 -6.183 -12.796 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.200 -3.959 -11.493 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.641 -4.207 -12.925 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.739 -5.248 -13.026 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.474 -5.431 -12.033 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -1.864 -5.879 -14.096 1.00 0.00 O ATOM 0 H GLU A 83 1.020 -3.719 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 83 0.088 -5.976 -10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.083 -3.849 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.343 -3.015 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.992 -3.271 -13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.217 -4.531 -13.514 1.00 0.00 H new ATOM 1296 N THR A 84 2.960 -4.695 -11.673 1.00 0.00 N ATOM 1297 CA THR A 84 4.131 -4.884 -12.520 1.00 0.00 C ATOM 1298 C THR A 84 4.808 -6.219 -12.233 1.00 0.00 C ATOM 1299 O THR A 84 5.265 -6.904 -13.148 1.00 0.00 O ATOM 1300 CB THR A 84 5.154 -3.749 -12.325 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.622 -2.518 -12.826 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.460 -4.070 -13.037 1.00 0.00 C ATOM 0 H THR A 84 3.087 -4.016 -10.923 1.00 0.00 H new ATOM 0 HA THR A 84 3.780 -4.873 -13.552 1.00 0.00 H new ATOM 0 HB THR A 84 5.354 -3.650 -11.258 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.968 -2.161 -12.189 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.167 -3.254 -12.885 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.878 -4.992 -12.633 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.272 -4.194 -14.104 1.00 0.00 H new ATOM 1310 N PHE A 85 4.870 -6.584 -10.957 1.00 0.00 N ATOM 1311 CA PHE A 85 5.492 -7.838 -10.549 1.00 0.00 C ATOM 1312 C PHE A 85 4.522 -9.004 -10.710 1.00 0.00 C ATOM 1313 O PHE A 85 4.836 -10.001 -11.358 1.00 0.00 O ATOM 1314 CB PHE A 85 5.964 -7.749 -9.096 1.00 0.00 C ATOM 1315 CG PHE A 85 6.908 -8.849 -8.704 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.123 -9.001 -9.351 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.579 -9.732 -7.688 1.00 0.00 C ATOM 1318 CE1 PHE A 85 8.995 -10.012 -8.993 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.447 -10.745 -7.325 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.655 -10.886 -7.979 1.00 0.00 C ATOM 0 H PHE A 85 4.497 -6.029 -10.187 1.00 0.00 H new ATOM 0 HA PHE A 85 6.353 -8.014 -11.193 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.454 -6.788 -8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.095 -7.775 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.393 -8.321 -10.145 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.635 -9.628 -7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.940 -10.118 -9.505 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.180 -11.426 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.333 -11.678 -7.698 1.00 0.00 H new ATOM 1330 N ASN A 86 3.341 -8.870 -10.114 1.00 0.00 N ATOM 1331 CA ASN A 86 2.324 -9.913 -10.190 1.00 0.00 C ATOM 1332 C ASN A 86 1.629 -9.897 -11.548 1.00 0.00 C ATOM 1333 O ASN A 86 1.608 -8.875 -12.233 1.00 0.00 O ATOM 1334 CB ASN A 86 1.293 -9.731 -9.074 1.00 0.00 C ATOM 1335 CG ASN A 86 1.907 -9.858 -7.694 1.00 0.00 C ATOM 1336 OD1 ASN A 86 1.785 -10.895 -7.041 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.571 -8.801 -7.242 1.00 0.00 N ATOM 0 H ASN A 86 3.065 -8.050 -9.574 1.00 0.00 H new ATOM 0 HA ASN A 86 2.817 -10.877 -10.066 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.825 -8.751 -9.172 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.504 -10.474 -9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.005 -8.828 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.647 -7.962 -7.817 1.00 0.00 H new ATOM 1383 N SER A 90 -3.302 -12.891 -11.134 1.00 0.00 N ATOM 1384 CA SER A 90 -2.765 -13.392 -9.873 1.00 0.00 C ATOM 1385 C SER A 90 -3.545 -12.829 -8.689 1.00 0.00 C ATOM 1386 O SER A 90 -3.946 -11.665 -8.693 1.00 0.00 O ATOM 1387 CB SER A 90 -1.285 -13.027 -9.744 1.00 0.00 C ATOM 1388 OG SER A 90 -0.997 -11.818 -10.426 1.00 0.00 O ATOM 0 HA SER A 90 -2.866 -14.477 -9.869 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.023 -12.926 -8.691 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.672 -13.832 -10.149 1.00 0.00 H new ATOM 0 HG SER A 90 -1.735 -11.601 -11.033 1.00 0.00 H new ATOM 1394 N ASP A 91 -3.757 -13.664 -7.678 1.00 0.00 N ATOM 1395 CA ASP A 91 -4.488 -13.250 -6.485 1.00 0.00 C ATOM 1396 C ASP A 91 -4.126 -11.821 -6.094 1.00 0.00 C ATOM 1397 O ASP A 91 -4.996 -10.955 -5.996 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.190 -14.200 -5.324 1.00 0.00 C ATOM 1399 CG ASP A 91 -4.477 -15.648 -5.672 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -3.636 -16.273 -6.352 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -5.542 -16.156 -5.265 1.00 0.00 O ATOM 0 H ASP A 91 -3.433 -14.631 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.554 -13.287 -6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.144 -14.099 -5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.788 -13.912 -4.460 1.00 0.00 H new ATOM 1406 N ILE A 92 -2.838 -11.582 -5.871 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.362 -10.257 -5.491 1.00 0.00 C ATOM 1408 C ILE A 92 -2.619 -9.242 -6.599 1.00 0.00 C ATOM 1409 O ILE A 92 -3.141 -8.156 -6.352 1.00 0.00 O ATOM 1410 CB ILE A 92 -0.858 -10.273 -5.163 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.605 -11.042 -3.865 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.325 -8.852 -5.055 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.836 -10.997 -3.406 1.00 0.00 C ATOM 0 H ILE A 92 -2.106 -12.288 -5.947 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.917 -9.965 -4.599 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.330 -10.779 -5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.241 -10.632 -3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.901 -12.082 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.740 -8.879 -4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.477 -8.334 -6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.856 -8.324 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.941 -11.563 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.476 -11.434 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.131 -9.962 -3.234 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.249 -9.604 -7.824 1.00 0.00 N ATOM 1426 CA GLY A 93 -2.448 -8.714 -8.953 1.00 0.00 C ATOM 1427 C GLY A 93 -3.846 -8.130 -8.990 1.00 0.00 C ATOM 1428 O GLY A 93 -4.021 -6.938 -9.246 1.00 0.00 O ATOM 0 H GLY A 93 -1.815 -10.498 -8.054 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.720 -7.904 -8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.260 -9.258 -9.879 1.00 0.00 H new ATOM 1432 N ARG A 94 -4.844 -8.970 -8.737 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.234 -8.529 -8.745 1.00 0.00 C ATOM 1434 C ARG A 94 -6.511 -7.580 -7.583 1.00 0.00 C ATOM 1435 O ARG A 94 -7.157 -6.546 -7.754 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.173 -9.735 -8.668 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.049 -10.681 -9.851 1.00 0.00 C ATOM 1438 CD ARG A 94 -8.316 -11.499 -10.045 1.00 0.00 C ATOM 1439 NE ARG A 94 -9.270 -10.829 -10.924 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.348 -11.421 -11.427 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -10.607 -12.689 -11.138 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.169 -10.745 -12.219 1.00 0.00 N ATOM 0 H ARG A 94 -4.716 -9.959 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.414 -7.995 -9.678 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.968 -10.286 -7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.202 -9.380 -8.604 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.842 -10.109 -10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.203 -11.350 -9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.059 -12.472 -10.464 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.782 -11.682 -9.077 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.100 -9.853 -11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.978 -13.212 -10.528 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.435 -13.141 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.973 -9.769 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.996 -11.201 -12.604 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.018 -7.938 -6.402 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.211 -7.118 -5.213 1.00 0.00 C ATOM 1458 C ALA A 95 -5.908 -5.652 -5.503 1.00 0.00 C ATOM 1459 O ALA A 95 -6.686 -4.766 -5.153 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.337 -7.625 -4.075 1.00 0.00 C ATOM 0 H ALA A 95 -5.482 -8.791 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.257 -7.194 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.491 -7.003 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.604 -8.656 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.289 -7.579 -4.373 1.00 0.00 H new ATOM 1466 N GLY A 96 -4.770 -5.403 -6.144 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.384 -4.042 -6.468 1.00 0.00 C ATOM 1468 C GLY A 96 -5.479 -3.286 -7.193 1.00 0.00 C ATOM 1469 O GLY A 96 -5.983 -2.278 -6.694 1.00 0.00 O ATOM 0 H GLY A 96 -4.109 -6.119 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.127 -3.512 -5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.487 -4.060 -7.088 1.00 0.00 H new ATOM 1473 N HIS A 97 -5.850 -3.770 -8.374 1.00 0.00 N ATOM 1474 CA HIS A 97 -6.893 -3.132 -9.169 1.00 0.00 C ATOM 1475 C HIS A 97 -8.073 -2.726 -8.292 1.00 0.00 C ATOM 1476 O HIS A 97 -8.642 -1.649 -8.460 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.366 -4.073 -10.278 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.385 -4.216 -11.401 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.404 -3.414 -12.523 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.351 -5.073 -11.570 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.425 -3.774 -13.334 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -4.771 -4.778 -12.779 1.00 0.00 N ATOM 0 H HIS A 97 -5.444 -4.602 -8.802 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.473 -2.233 -9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.562 -5.056 -9.850 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.311 -3.705 -10.677 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.069 -2.661 -12.699 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.040 -5.845 -10.882 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.198 -3.323 -14.289 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.436 -3.598 -7.356 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.549 -3.330 -6.453 1.00 0.00 C ATOM 1492 C ASN A 98 -9.214 -2.188 -5.499 1.00 0.00 C ATOM 1493 O ASN A 98 -9.956 -1.211 -5.399 1.00 0.00 O ATOM 1494 CB ASN A 98 -9.901 -4.589 -5.657 1.00 0.00 C ATOM 1495 CG ASN A 98 -10.867 -5.492 -6.399 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.440 -5.103 -7.417 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.051 -6.705 -5.892 1.00 0.00 N ATOM 0 H ASN A 98 -7.976 -4.495 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.409 -3.036 -7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.988 -5.142 -5.435 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.339 -4.301 -4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.689 -7.357 -6.349 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.555 -6.985 -5.046 1.00 0.00 H new ATOM 1504 N MET A 99 -8.092 -2.319 -4.800 1.00 0.00 N ATOM 1505 CA MET A 99 -7.657 -1.297 -3.855 1.00 0.00 C ATOM 1506 C MET A 99 -7.582 0.070 -4.528 1.00 0.00 C ATOM 1507 O MET A 99 -8.323 0.987 -4.176 1.00 0.00 O ATOM 1508 CB MET A 99 -6.294 -1.663 -3.265 1.00 0.00 C ATOM 1509 CG MET A 99 -6.323 -2.909 -2.395 1.00 0.00 C ATOM 1510 SD MET A 99 -7.566 -2.817 -1.092 1.00 0.00 S ATOM 1511 CE MET A 99 -7.010 -1.370 -0.194 1.00 0.00 C ATOM 0 H MET A 99 -7.467 -3.122 -4.870 1.00 0.00 H new ATOM 0 HA MET A 99 -8.391 -1.247 -3.051 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.584 -1.814 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.927 -0.825 -2.673 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.521 -3.780 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.341 -3.057 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.554 -1.295 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.943 -1.456 0.010 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.195 -0.478 -0.792 1.00 0.00 H new ATOM 1521 N ARG A 100 -6.683 0.198 -5.498 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.510 1.453 -6.220 1.00 0.00 C ATOM 1523 C ARG A 100 -7.845 2.176 -6.380 1.00 0.00 C ATOM 1524 O ARG A 100 -7.948 3.376 -6.126 1.00 0.00 O ATOM 1525 CB ARG A 100 -5.890 1.195 -7.594 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.721 2.452 -8.432 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.379 2.118 -9.875 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.219 1.236 -9.973 1.00 0.00 N ATOM 1529 CZ ARG A 100 -3.514 1.070 -11.086 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -3.850 1.721 -12.191 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.471 0.250 -11.096 1.00 0.00 N ATOM 0 H ARG A 100 -6.063 -0.552 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 100 -5.839 2.087 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.916 0.724 -7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.515 0.487 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.640 3.037 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.933 3.072 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.237 1.642 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.181 3.039 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.935 0.719 -9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.652 2.351 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.307 1.592 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.210 -0.254 -10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.930 0.123 -11.951 1.00 0.00 H new ATOM 1545 N LYS A 101 -8.865 1.437 -6.803 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.193 2.005 -6.997 1.00 0.00 C ATOM 1547 C LYS A 101 -10.700 2.654 -5.713 1.00 0.00 C ATOM 1548 O LYS A 101 -11.180 3.788 -5.726 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.173 0.921 -7.454 1.00 0.00 C ATOM 1550 CG LYS A 101 -10.891 0.398 -8.852 1.00 0.00 C ATOM 1551 CD LYS A 101 -11.630 -0.903 -9.119 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.071 -0.650 -9.534 1.00 0.00 C ATOM 1553 NZ LYS A 101 -13.680 -1.846 -10.180 1.00 0.00 N ATOM 0 H LYS A 101 -8.797 0.442 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.123 2.772 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.137 0.090 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.186 1.322 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.189 1.145 -9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.819 0.241 -8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.117 -1.460 -9.903 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.612 -1.524 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.658 -0.372 -8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.108 0.193 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.662 -1.633 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.135 -2.097 -11.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.668 -2.644 -9.514 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.589 1.929 -4.605 1.00 0.00 N ATOM 1568 CA TYR A 102 -11.037 2.435 -3.313 1.00 0.00 C ATOM 1569 C TYR A 102 -10.209 3.642 -2.884 1.00 0.00 C ATOM 1570 O TYR A 102 -10.746 4.631 -2.384 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.944 1.336 -2.252 1.00 0.00 C ATOM 1572 CG TYR A 102 -11.217 1.826 -0.848 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -12.174 2.803 -0.606 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.518 1.312 0.237 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -12.427 3.254 0.675 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.765 1.755 1.521 1.00 0.00 C ATOM 1577 CZ TYR A 102 -11.720 2.727 1.735 1.00 0.00 C ATOM 1578 OH TYR A 102 -11.968 3.173 3.013 1.00 0.00 O ATOM 0 H TYR A 102 -10.193 0.990 -4.576 1.00 0.00 H new ATOM 0 HA TYR A 102 -12.076 2.747 -3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.654 0.546 -2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.949 0.893 -2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.730 3.217 -1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.768 0.552 0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -13.174 4.015 0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.214 1.343 2.353 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.264 2.423 3.570 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.898 3.554 -3.083 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.995 4.639 -2.718 1.00 0.00 C ATOM 1590 C PHE A 103 -8.504 5.975 -3.251 1.00 0.00 C ATOM 1591 O PHE A 103 -8.515 6.976 -2.536 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.589 4.364 -3.257 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.627 5.494 -3.024 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.373 5.952 -1.742 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.977 6.097 -4.089 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.488 6.991 -1.525 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -4.090 7.136 -3.878 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.846 7.585 -2.594 1.00 0.00 C ATOM 0 H PHE A 103 -8.437 2.743 -3.495 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.956 4.694 -1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.198 3.462 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.651 4.165 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.872 5.492 -0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -5.165 5.751 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.298 7.338 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -3.588 7.597 -4.716 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.155 8.398 -2.427 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.925 5.980 -4.512 1.00 0.00 N ATOM 1609 CA GLU A 104 -9.434 7.193 -5.142 1.00 0.00 C ATOM 1610 C GLU A 104 -10.785 7.587 -4.551 1.00 0.00 C ATOM 1611 O GLU A 104 -10.891 8.570 -3.817 1.00 0.00 O ATOM 1612 CB GLU A 104 -9.565 6.993 -6.653 1.00 0.00 C ATOM 1613 CG GLU A 104 -8.231 6.850 -7.366 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.495 8.170 -7.495 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -7.442 8.919 -6.497 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.972 8.453 -8.593 1.00 0.00 O ATOM 0 H GLU A 104 -8.924 5.159 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.724 7.997 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.166 6.104 -6.842 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.105 7.839 -7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.606 6.141 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.397 6.432 -8.359 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.814 6.813 -4.876 1.00 0.00 N ATOM 1624 CA LYS A 105 -13.159 7.078 -4.378 1.00 0.00 C ATOM 1625 C LYS A 105 -13.121 7.528 -2.921 1.00 0.00 C ATOM 1626 O LYS A 105 -13.990 8.272 -2.467 1.00 0.00 O ATOM 1627 CB LYS A 105 -14.032 5.828 -4.515 1.00 0.00 C ATOM 1628 CG LYS A 105 -15.507 6.135 -4.707 1.00 0.00 C ATOM 1629 CD LYS A 105 -15.815 6.511 -6.147 1.00 0.00 C ATOM 1630 CE LYS A 105 -17.312 6.634 -6.383 1.00 0.00 C ATOM 1631 NZ LYS A 105 -17.831 7.969 -5.976 1.00 0.00 N ATOM 0 H LYS A 105 -11.743 5.996 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.589 7.881 -4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.679 5.239 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -13.911 5.211 -3.625 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.101 5.266 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.799 6.951 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.329 7.456 -6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.401 5.758 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.528 6.467 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -17.833 5.856 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -18.855 8.012 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -17.648 8.119 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.353 8.710 -6.527 1.00 0.00 H new ATOM 1645 N LYS A 106 -12.107 7.073 -2.193 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.953 7.430 -0.788 1.00 0.00 C ATOM 1647 C LYS A 106 -11.147 8.716 -0.638 1.00 0.00 C ATOM 1648 O LYS A 106 -11.496 9.590 0.155 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.268 6.295 -0.024 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.992 6.622 1.434 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.279 6.731 2.234 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.106 7.629 3.449 1.00 0.00 C ATOM 1653 NZ LYS A 106 -12.131 9.071 3.081 1.00 0.00 N ATOM 0 H LYS A 106 -11.379 6.456 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.946 7.594 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.894 5.404 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.327 6.052 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.357 5.849 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.441 7.560 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.071 7.126 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.594 5.738 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.899 7.424 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.162 7.396 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.427 9.586 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.907 9.175 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.077 9.461 3.268 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.069 8.826 -1.406 1.00 0.00 N ATOM 1668 CA TRP A 107 -9.214 10.007 -1.360 1.00 0.00 C ATOM 1669 C TRP A 107 -9.985 11.254 -1.780 1.00 0.00 C ATOM 1670 O TRP A 107 -9.933 12.285 -1.108 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.996 9.817 -2.265 1.00 0.00 C ATOM 1672 CG TRP A 107 -7.028 10.958 -2.206 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -7.098 12.131 -2.902 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.842 11.035 -1.407 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -6.028 12.932 -2.585 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -5.243 12.283 -1.669 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -5.229 10.172 -0.495 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -4.061 12.685 -1.052 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -4.056 10.573 0.117 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.483 11.821 -0.163 1.00 0.00 C ATOM 0 H TRP A 107 -9.766 8.112 -2.068 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.876 10.140 -0.332 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.482 8.899 -1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.333 9.689 -3.294 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.880 12.391 -3.600 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.847 13.859 -2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.664 9.209 -0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.616 13.645 -1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.573 9.913 0.823 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.567 12.106 0.333 1.00 0.00 H new ATOM 1691 N THR A 108 -10.702 11.153 -2.895 1.00 0.00 N ATOM 1692 CA THR A 108 -11.483 12.273 -3.405 1.00 0.00 C ATOM 1693 C THR A 108 -12.402 12.839 -2.327 1.00 0.00 C ATOM 1694 O THR A 108 -12.577 14.053 -2.222 1.00 0.00 O ATOM 1695 CB THR A 108 -12.333 11.858 -4.621 1.00 0.00 C ATOM 1696 OG1 THR A 108 -12.988 13.005 -5.175 1.00 0.00 O ATOM 1697 CG2 THR A 108 -13.368 10.816 -4.228 1.00 0.00 C ATOM 0 H THR A 108 -10.758 10.307 -3.462 1.00 0.00 H new ATOM 0 HA THR A 108 -10.772 13.040 -3.712 1.00 0.00 H new ATOM 0 HB THR A 108 -11.670 11.423 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 108 -13.525 12.733 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.956 10.539 -5.103 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.864 9.933 -3.835 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.027 11.228 -3.464 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.985 11.952 -1.529 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.884 12.363 -0.457 1.00 0.00 C ATOM 1707 C ASP A 109 -13.111 13.036 0.673 1.00 0.00 C ATOM 1708 O ASP A 109 -13.694 13.709 1.524 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.654 11.157 0.083 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.839 11.561 0.938 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.852 12.018 0.368 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -15.753 11.422 2.176 1.00 0.00 O ATOM 0 H ASP A 109 -12.851 10.944 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.593 13.083 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -15.003 10.549 -0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.981 10.534 0.672 1.00 0.00 H new ATOM 1717 N THR A 110 -11.795 12.850 0.676 1.00 0.00 N ATOM 1718 CA THR A 110 -10.942 13.437 1.702 1.00 0.00 C ATOM 1719 C THR A 110 -10.403 14.792 1.259 1.00 0.00 C ATOM 1720 O THR A 110 -10.781 15.830 1.804 1.00 0.00 O ATOM 1721 CB THR A 110 -9.758 12.513 2.044 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.200 11.152 2.104 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.131 12.907 3.373 1.00 0.00 C ATOM 0 H THR A 110 -11.296 12.297 -0.021 1.00 0.00 H new ATOM 0 HA THR A 110 -11.560 13.568 2.590 1.00 0.00 H new ATOM 0 HB THR A 110 -9.007 12.616 1.261 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.472 10.857 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.297 12.241 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.769 13.934 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.877 12.829 4.164 1.00 0.00 H new