USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 751 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 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 23:sc= -4.81! USER MOD Single : A 4 ASN : amide:sc= -4.45! C(o=-4.5!,f=-15!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 10 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.77) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.154 (180deg=-0.872) USER MOD Single : A 22 THR OG1 : rot 80:sc= 0.714 USER MOD Single : A 24 THR OG1 : rot -83:sc= 0.974 USER MOD Single : A 29 SER OG : rot -24:sc= 0.244! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -5.72! C(o=-6.5!,f=-5.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 28:sc= 0.0273 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 62 THR OG1 : rot -157:sc= -0.912 USER MOD Single : A 65 THR OG1 : rot 85:sc= -5.55! USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 69 LYS NZ :NH3+ -120:sc= -0.725 (180deg=-2.38!) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0545 X(o=-0.054,f=-0.27) USER MOD Single : A 75 ASN :FLIP amide:sc= 1.14 F(o=-0.048,f=1.1) USER MOD Single : A 76 MET CE :methyl 162:sc= -0.0407 (180deg=-0.675) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 172:sc= -0.714 USER MOD Single : A 92 GLN : amide:sc= -0.0047 X(o=-0.0047,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -8.664 8.485 7.325 1.00 0.00 N ATOM 50 CA ASN A 4 -8.505 7.917 5.997 1.00 0.00 C ATOM 51 C ASN A 4 -8.849 6.427 6.041 1.00 0.00 C ATOM 52 O ASN A 4 -9.086 5.872 7.112 1.00 0.00 O ATOM 53 CB ASN A 4 -7.062 8.055 5.508 1.00 0.00 C ATOM 54 CG ASN A 4 -6.972 7.826 3.998 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.804 6.715 3.521 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.092 8.935 3.274 1.00 0.00 N ATOM 0 HA ASN A 4 -9.168 8.454 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.685 9.048 5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.428 7.336 6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.045 8.887 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.231 9.833 3.736 1.00 0.00 H new ATOM 63 N ASP A 5 -8.867 5.822 4.862 1.00 0.00 N ATOM 64 CA ASP A 5 -9.179 4.407 4.752 1.00 0.00 C ATOM 65 C ASP A 5 -7.883 3.597 4.832 1.00 0.00 C ATOM 66 O ASP A 5 -7.832 2.567 5.504 1.00 0.00 O ATOM 67 CB ASP A 5 -9.850 4.094 3.413 1.00 0.00 C ATOM 68 CG ASP A 5 -10.979 5.047 3.017 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.030 6.200 3.472 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.842 4.558 2.193 1.00 0.00 O ATOM 0 H ASP A 5 -8.671 6.286 3.975 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.857 4.146 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.091 4.109 2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.248 3.080 3.451 1.00 0.00 H new ATOM 76 N ILE A 6 -6.869 4.091 4.138 1.00 0.00 N ATOM 77 CA ILE A 6 -5.578 3.426 4.123 1.00 0.00 C ATOM 78 C ILE A 6 -4.517 4.393 3.594 1.00 0.00 C ATOM 79 O ILE A 6 -4.785 5.179 2.686 1.00 0.00 O ATOM 80 CB ILE A 6 -5.660 2.115 3.338 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.286 1.449 3.238 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.291 2.337 1.962 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.092 0.421 4.355 1.00 0.00 C ATOM 0 H ILE A 6 -6.915 4.945 3.582 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.281 3.148 5.134 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.311 1.431 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.184 0.961 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.505 2.207 3.297 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.337 1.389 1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.299 2.734 2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.687 3.046 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.108 -0.037 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.170 0.916 5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.860 -0.349 4.278 1.00 0.00 H new ATOM 95 N THR A 7 -3.334 4.305 4.184 1.00 0.00 N ATOM 96 CA THR A 7 -2.231 5.162 3.784 1.00 0.00 C ATOM 97 C THR A 7 -1.140 4.341 3.095 1.00 0.00 C ATOM 98 O THR A 7 -1.136 3.113 3.178 1.00 0.00 O ATOM 99 CB THR A 7 -1.738 5.909 5.025 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.901 4.969 6.083 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.656 7.070 5.413 1.00 0.00 C ATOM 0 H THR A 7 -3.115 3.653 4.937 1.00 0.00 H new ATOM 0 HA THR A 7 -2.551 5.900 3.049 1.00 0.00 H new ATOM 0 HB THR A 7 -0.732 6.287 4.845 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.603 5.370 6.926 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.261 7.566 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.708 7.783 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.655 6.689 5.626 1.00 0.00 H new ATOM 109 N PHE A 8 -0.239 5.051 2.432 1.00 0.00 N ATOM 110 CA PHE A 8 0.855 4.403 1.729 1.00 0.00 C ATOM 111 C PHE A 8 2.043 5.355 1.567 1.00 0.00 C ATOM 112 O PHE A 8 1.875 6.494 1.134 1.00 0.00 O ATOM 113 CB PHE A 8 0.332 4.018 0.344 1.00 0.00 C ATOM 114 CG PHE A 8 -1.059 3.382 0.358 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.167 4.170 0.403 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.188 2.029 0.327 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.458 3.580 0.416 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.479 1.438 0.340 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.587 2.226 0.385 1.00 0.00 C ATOM 0 H PHE A 8 -0.244 6.069 2.367 1.00 0.00 H new ATOM 0 HA PHE A 8 1.195 3.533 2.291 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.307 4.909 -0.284 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.033 3.323 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.064 5.245 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.308 1.403 0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.338 4.206 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.581 0.363 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.569 1.777 0.396 1.00 0.00 H new ATOM 129 N PHE A 9 3.216 4.852 1.924 1.00 0.00 N ATOM 130 CA PHE A 9 4.430 5.643 1.824 1.00 0.00 C ATOM 131 C PHE A 9 4.407 6.528 0.576 1.00 0.00 C ATOM 132 O PHE A 9 3.691 6.238 -0.382 1.00 0.00 O ATOM 133 CB PHE A 9 5.597 4.660 1.715 1.00 0.00 C ATOM 134 CG PHE A 9 6.975 5.316 1.814 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.155 6.403 2.611 1.00 0.00 C ATOM 136 CD2 PHE A 9 8.021 4.812 1.106 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.434 7.012 2.704 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.301 5.421 1.198 1.00 0.00 C ATOM 139 CZ PHE A 9 9.480 6.508 1.995 1.00 0.00 C ATOM 0 H PHE A 9 3.351 3.907 2.283 1.00 0.00 H new ATOM 0 HA PHE A 9 4.524 6.291 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.504 3.913 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.525 4.131 0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.324 6.803 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.878 3.948 0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.577 7.875 3.337 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.131 5.021 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.453 6.971 2.065 1.00 0.00 H new ATOM 149 N GLN A 10 5.197 7.590 0.627 1.00 0.00 N ATOM 150 CA GLN A 10 5.276 8.519 -0.487 1.00 0.00 C ATOM 151 C GLN A 10 5.510 7.761 -1.795 1.00 0.00 C ATOM 152 O GLN A 10 4.786 7.957 -2.769 1.00 0.00 O ATOM 153 CB GLN A 10 6.371 9.562 -0.255 1.00 0.00 C ATOM 154 CG GLN A 10 6.351 10.631 -1.349 1.00 0.00 C ATOM 155 CD GLN A 10 7.766 10.930 -1.850 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.599 10.050 -1.998 1.00 0.00 O ATOM 157 NE2 GLN A 10 7.990 12.216 -2.101 1.00 0.00 N ATOM 0 H GLN A 10 5.789 7.828 1.423 1.00 0.00 H new ATOM 0 HA GLN A 10 4.326 9.048 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.231 10.031 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.345 9.074 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.731 10.295 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.898 11.544 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.248 12.901 -1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.904 12.518 -2.439 1.00 0.00 H new ATOM 166 N ARG A 11 6.526 6.910 -1.775 1.00 0.00 N ATOM 167 CA ARG A 11 6.865 6.121 -2.947 1.00 0.00 C ATOM 168 C ARG A 11 5.615 5.437 -3.506 1.00 0.00 C ATOM 169 O ARG A 11 5.378 5.460 -4.713 1.00 0.00 O ATOM 170 CB ARG A 11 7.912 5.057 -2.611 1.00 0.00 C ATOM 171 CG ARG A 11 9.197 5.700 -2.084 1.00 0.00 C ATOM 172 CD ARG A 11 10.377 4.733 -2.189 1.00 0.00 C ATOM 173 NE ARG A 11 11.572 5.445 -2.696 1.00 0.00 N ATOM 174 CZ ARG A 11 11.753 5.796 -3.987 1.00 0.00 C ATOM 175 NH1 ARG A 11 10.817 5.503 -4.914 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.859 6.430 -4.328 1.00 0.00 N ATOM 0 H ARG A 11 7.125 6.750 -0.965 1.00 0.00 H new ATOM 0 HA ARG A 11 7.278 6.798 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.512 4.371 -1.865 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.134 4.467 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.413 6.606 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.059 5.999 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.590 4.298 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.124 3.909 -2.856 1.00 0.00 H new ATOM 0 HE ARG A 11 12.304 5.685 -2.028 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.965 5.013 -4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.961 5.772 -5.887 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.561 6.647 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.012 6.703 -5.299 1.00 0.00 H new ATOM 189 N PHE A 12 4.849 4.845 -2.602 1.00 0.00 N ATOM 190 CA PHE A 12 3.629 4.157 -2.990 1.00 0.00 C ATOM 191 C PHE A 12 2.628 5.127 -3.620 1.00 0.00 C ATOM 192 O PHE A 12 1.857 4.745 -4.498 1.00 0.00 O ATOM 193 CB PHE A 12 3.021 3.572 -1.714 1.00 0.00 C ATOM 194 CG PHE A 12 2.393 2.189 -1.901 1.00 0.00 C ATOM 195 CD1 PHE A 12 1.621 1.934 -2.992 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.607 1.214 -0.977 1.00 0.00 C ATOM 197 CE1 PHE A 12 1.039 0.651 -3.165 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.024 -0.069 -1.150 1.00 0.00 C ATOM 199 CZ PHE A 12 1.252 -0.323 -2.241 1.00 0.00 C ATOM 0 H PHE A 12 5.049 4.827 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 12 3.855 3.384 -3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.797 3.507 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.261 4.257 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.451 2.708 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.221 1.416 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.427 0.449 -4.031 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.193 -0.843 -0.416 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.808 -1.299 -2.373 1.00 0.00 H new ATOM 209 N GLN A 13 2.674 6.364 -3.147 1.00 0.00 N ATOM 210 CA GLN A 13 1.780 7.392 -3.653 1.00 0.00 C ATOM 211 C GLN A 13 2.094 7.693 -5.120 1.00 0.00 C ATOM 212 O GLN A 13 1.206 7.651 -5.970 1.00 0.00 O ATOM 213 CB GLN A 13 1.866 8.660 -2.802 1.00 0.00 C ATOM 214 CG GLN A 13 0.645 8.793 -1.890 1.00 0.00 C ATOM 215 CD GLN A 13 -0.279 9.915 -2.371 1.00 0.00 C ATOM 216 OE1 GLN A 13 -0.222 11.042 -1.908 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.131 9.543 -3.322 1.00 0.00 N ATOM 0 H GLN A 13 3.316 6.677 -2.419 1.00 0.00 H new ATOM 0 HA GLN A 13 0.757 7.021 -3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.774 8.636 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.937 9.533 -3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.098 7.850 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.969 8.996 -0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.125 8.582 -3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.790 10.218 -3.709 1.00 0.00 H new ATOM 226 N ASP A 14 3.361 7.990 -5.372 1.00 0.00 N ATOM 227 CA ASP A 14 3.803 8.297 -6.721 1.00 0.00 C ATOM 228 C ASP A 14 3.441 7.136 -7.649 1.00 0.00 C ATOM 229 O ASP A 14 2.927 7.351 -8.746 1.00 0.00 O ATOM 230 CB ASP A 14 5.320 8.489 -6.773 1.00 0.00 C ATOM 231 CG ASP A 14 5.915 8.562 -8.181 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.958 9.634 -8.802 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.352 7.441 -8.647 1.00 0.00 O ATOM 0 H ASP A 14 4.095 8.024 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 14 3.312 9.218 -7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.574 9.405 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.794 7.667 -6.237 1.00 0.00 H new ATOM 239 N ASP A 15 3.723 5.932 -7.176 1.00 0.00 N ATOM 240 CA ASP A 15 3.433 4.736 -7.949 1.00 0.00 C ATOM 241 C ASP A 15 1.945 4.712 -8.304 1.00 0.00 C ATOM 242 O ASP A 15 1.580 4.426 -9.443 1.00 0.00 O ATOM 243 CB ASP A 15 3.750 3.472 -7.148 1.00 0.00 C ATOM 244 CG ASP A 15 3.767 2.177 -7.964 1.00 0.00 C ATOM 245 OD1 ASP A 15 3.077 1.203 -7.630 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.541 2.194 -8.996 1.00 0.00 O ATOM 0 H ASP A 15 4.150 5.758 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 15 4.050 4.757 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.722 3.596 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.014 3.371 -6.350 1.00 0.00 H new ATOM 252 N ILE A 16 1.127 5.015 -7.307 1.00 0.00 N ATOM 253 CA ILE A 16 -0.313 5.031 -7.499 1.00 0.00 C ATOM 254 C ILE A 16 -0.671 6.088 -8.547 1.00 0.00 C ATOM 255 O ILE A 16 -1.477 5.833 -9.440 1.00 0.00 O ATOM 256 CB ILE A 16 -1.030 5.223 -6.162 1.00 0.00 C ATOM 257 CG1 ILE A 16 -0.859 3.994 -5.266 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.504 5.577 -6.375 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.062 4.356 -3.794 1.00 0.00 C ATOM 0 H ILE A 16 1.434 5.251 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.657 4.071 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.569 6.065 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.575 3.225 -5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.136 3.573 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.990 5.708 -5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.577 6.502 -6.946 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.996 4.773 -6.922 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.935 3.465 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.329 5.107 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.067 4.754 -3.652 1.00 0.00 H new ATOM 271 N LEU A 17 -0.055 7.252 -8.401 1.00 0.00 N ATOM 272 CA LEU A 17 -0.299 8.348 -9.324 1.00 0.00 C ATOM 273 C LEU A 17 0.060 7.904 -10.743 1.00 0.00 C ATOM 274 O LEU A 17 -0.472 8.436 -11.717 1.00 0.00 O ATOM 275 CB LEU A 17 0.441 9.607 -8.867 1.00 0.00 C ATOM 276 CG LEU A 17 1.521 10.131 -9.816 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.910 11.007 -10.911 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.621 10.862 -9.044 1.00 0.00 C ATOM 0 H LEU A 17 0.612 7.460 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.356 8.612 -9.331 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.292 10.398 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.902 9.403 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 17 1.986 9.278 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.699 11.367 -11.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.193 10.422 -11.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.402 11.857 -10.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.376 11.224 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.189 11.706 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.083 10.177 -8.333 1.00 0.00 H new ATOM 290 N ALA A 18 0.960 6.934 -10.816 1.00 0.00 N ATOM 291 CA ALA A 18 1.396 6.413 -12.100 1.00 0.00 C ATOM 292 C ALA A 18 0.458 5.284 -12.532 1.00 0.00 C ATOM 293 O ALA A 18 0.754 4.554 -13.477 1.00 0.00 O ATOM 294 CB ALA A 18 2.852 5.954 -11.996 1.00 0.00 C ATOM 0 H ALA A 18 1.399 6.495 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 18 1.352 7.189 -12.865 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.180 5.563 -12.959 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.481 6.799 -11.714 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.934 5.173 -11.240 1.00 0.00 H new ATOM 300 N GLY A 19 -0.654 5.176 -11.820 1.00 0.00 N ATOM 301 CA GLY A 19 -1.637 4.148 -12.119 1.00 0.00 C ATOM 302 C GLY A 19 -1.084 2.755 -11.812 1.00 0.00 C ATOM 303 O GLY A 19 -0.795 2.438 -10.660 1.00 0.00 O ATOM 0 H GLY A 19 -0.896 5.783 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.540 4.322 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.922 4.207 -13.169 1.00 0.00 H new ATOM 307 N ARG A 20 -0.954 1.960 -12.865 1.00 0.00 N ATOM 308 CA ARG A 20 -0.441 0.608 -12.723 1.00 0.00 C ATOM 309 C ARG A 20 -1.056 -0.067 -11.495 1.00 0.00 C ATOM 310 O ARG A 20 -0.558 0.089 -10.382 1.00 0.00 O ATOM 311 CB ARG A 20 1.083 0.609 -12.586 1.00 0.00 C ATOM 312 CG ARG A 20 1.731 -0.257 -13.668 1.00 0.00 C ATOM 313 CD ARG A 20 2.656 0.577 -14.556 1.00 0.00 C ATOM 314 NE ARG A 20 3.187 -0.256 -15.658 1.00 0.00 N ATOM 315 CZ ARG A 20 4.258 -1.070 -15.544 1.00 0.00 C ATOM 316 NH1 ARG A 20 4.923 -1.167 -14.373 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.645 -1.770 -16.594 1.00 0.00 N ATOM 0 H ARG A 20 -1.195 2.227 -13.820 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.714 0.054 -13.621 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.458 1.630 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.363 0.237 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.298 -1.063 -13.203 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.957 -0.722 -14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.112 1.429 -14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.478 0.978 -13.963 1.00 0.00 H new ATOM 0 HE ARG A 20 2.714 -0.212 -16.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.617 -0.623 -13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.731 -1.784 -14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.137 -1.691 -17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.452 -2.390 -16.525 1.00 0.00 H new ATOM 330 N LYS A 21 -2.131 -0.802 -11.741 1.00 0.00 N ATOM 331 CA LYS A 21 -2.819 -1.502 -10.669 1.00 0.00 C ATOM 332 C LYS A 21 -1.788 -2.070 -9.692 1.00 0.00 C ATOM 333 O LYS A 21 -0.795 -2.664 -10.108 1.00 0.00 O ATOM 334 CB LYS A 21 -3.770 -2.555 -11.241 1.00 0.00 C ATOM 335 CG LYS A 21 -5.046 -1.905 -11.782 1.00 0.00 C ATOM 336 CD LYS A 21 -5.175 -2.124 -13.291 1.00 0.00 C ATOM 337 CE LYS A 21 -4.776 -0.865 -14.064 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.555 -1.113 -14.864 1.00 0.00 N ATOM 0 H LYS A 21 -2.542 -0.928 -12.666 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.446 -0.812 -10.105 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.271 -3.105 -12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.026 -3.278 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.915 -2.324 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.034 -0.837 -11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.543 -2.958 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.202 -2.396 -13.536 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.592 -0.560 -14.720 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.602 -0.044 -13.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.043 -0.218 -15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.943 -1.788 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.820 -1.507 -15.789 1.00 0.00 H new ATOM 351 N THR A 22 -2.060 -1.869 -8.411 1.00 0.00 N ATOM 352 CA THR A 22 -1.168 -2.354 -7.372 1.00 0.00 C ATOM 353 C THR A 22 -1.973 -2.932 -6.206 1.00 0.00 C ATOM 354 O THR A 22 -3.076 -2.470 -5.918 1.00 0.00 O ATOM 355 CB THR A 22 -0.248 -1.202 -6.962 1.00 0.00 C ATOM 356 OG1 THR A 22 0.678 -1.098 -8.040 1.00 0.00 O ATOM 357 CG2 THR A 22 0.624 -1.550 -5.754 1.00 0.00 C ATOM 0 H THR A 22 -2.885 -1.377 -8.069 1.00 0.00 H new ATOM 0 HA THR A 22 -0.546 -3.172 -7.735 1.00 0.00 H new ATOM 0 HB THR A 22 -0.848 -0.321 -6.734 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.263 -0.611 -8.782 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.257 -0.699 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.013 -1.790 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.250 -2.410 -5.993 1.00 0.00 H new ATOM 365 N ILE A 23 -1.390 -3.936 -5.566 1.00 0.00 N ATOM 366 CA ILE A 23 -2.039 -4.582 -4.439 1.00 0.00 C ATOM 367 C ILE A 23 -1.480 -4.007 -3.136 1.00 0.00 C ATOM 368 O ILE A 23 -0.338 -3.553 -3.093 1.00 0.00 O ATOM 369 CB ILE A 23 -1.910 -6.103 -4.545 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.167 -6.502 -5.822 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.279 -6.779 -4.443 1.00 0.00 C ATOM 372 CD1 ILE A 23 -1.308 -8.001 -6.093 1.00 0.00 C ATOM 0 H ILE A 23 -0.475 -4.317 -5.807 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.109 -4.375 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.315 -6.455 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.560 -5.937 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.112 -6.243 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.158 -7.859 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.735 -6.534 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.920 -6.426 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.771 -8.258 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.892 -8.563 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.362 -8.252 -6.210 1.00 0.00 H new ATOM 384 N THR A 24 -2.311 -4.045 -2.105 1.00 0.00 N ATOM 385 CA THR A 24 -1.914 -3.534 -0.804 1.00 0.00 C ATOM 386 C THR A 24 -1.929 -4.654 0.237 1.00 0.00 C ATOM 387 O THR A 24 -2.375 -5.765 -0.047 1.00 0.00 O ATOM 388 CB THR A 24 -2.839 -2.366 -0.453 1.00 0.00 C ATOM 389 OG1 THR A 24 -4.107 -2.979 -0.239 1.00 0.00 O ATOM 390 CG2 THR A 24 -3.073 -1.428 -1.639 1.00 0.00 C ATOM 0 H THR A 24 -3.258 -4.422 -2.144 1.00 0.00 H new ATOM 0 HA THR A 24 -0.889 -3.163 -0.821 1.00 0.00 H new ATOM 0 HB THR A 24 -2.413 -1.802 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.558 -3.106 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.736 -0.617 -1.336 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.120 -1.014 -1.969 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.530 -1.984 -2.458 1.00 0.00 H new ATOM 398 N ILE A 25 -1.436 -4.325 1.422 1.00 0.00 N ATOM 399 CA ILE A 25 -1.386 -5.290 2.507 1.00 0.00 C ATOM 400 C ILE A 25 -1.975 -4.660 3.771 1.00 0.00 C ATOM 401 O ILE A 25 -1.574 -3.567 4.169 1.00 0.00 O ATOM 402 CB ILE A 25 0.038 -5.819 2.689 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.600 -6.346 1.368 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.094 -6.873 3.797 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.430 -5.274 0.658 1.00 0.00 C ATOM 0 H ILE A 25 -1.067 -3.403 1.655 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.996 -6.161 2.270 1.00 0.00 H new ATOM 0 HB ILE A 25 0.673 -4.990 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.218 -7.224 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.218 -6.665 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.117 -7.233 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.237 -6.431 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.558 -7.707 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.818 -5.675 -0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.803 -4.407 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.261 -4.975 1.297 1.00 0.00 H new ATOM 417 N ARG A 26 -2.916 -5.376 4.367 1.00 0.00 N ATOM 418 CA ARG A 26 -3.564 -4.901 5.578 1.00 0.00 C ATOM 419 C ARG A 26 -3.448 -5.948 6.688 1.00 0.00 C ATOM 420 O ARG A 26 -3.002 -7.068 6.445 1.00 0.00 O ATOM 421 CB ARG A 26 -5.042 -4.595 5.328 1.00 0.00 C ATOM 422 CG ARG A 26 -5.370 -4.654 3.835 1.00 0.00 C ATOM 423 CD ARG A 26 -4.864 -3.404 3.113 1.00 0.00 C ATOM 424 NE ARG A 26 -5.570 -2.206 3.620 1.00 0.00 N ATOM 425 CZ ARG A 26 -6.734 -1.743 3.115 1.00 0.00 C ATOM 426 NH1 ARG A 26 -7.332 -2.376 2.083 1.00 0.00 N ATOM 427 NH2 ARG A 26 -7.277 -0.664 3.645 1.00 0.00 N ATOM 0 H ARG A 26 -3.246 -6.282 4.034 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.061 -3.984 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.662 -5.311 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.283 -3.606 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.916 -5.542 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.448 -4.746 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.790 -3.295 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.025 -3.504 2.040 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.151 -1.698 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.905 -3.210 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.211 -2.020 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.818 -0.192 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.156 -0.301 3.275 1.00 0.00 H new ATOM 440 N ASP A 27 -3.857 -5.545 7.882 1.00 0.00 N ATOM 441 CA ASP A 27 -3.804 -6.435 9.030 1.00 0.00 C ATOM 442 C ASP A 27 -5.227 -6.830 9.430 1.00 0.00 C ATOM 443 O ASP A 27 -6.092 -5.970 9.589 1.00 0.00 O ATOM 444 CB ASP A 27 -3.150 -5.747 10.230 1.00 0.00 C ATOM 445 CG ASP A 27 -3.136 -6.570 11.519 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.827 -7.593 11.631 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.365 -6.115 12.448 1.00 0.00 O ATOM 0 H ASP A 27 -4.226 -4.615 8.080 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.217 -7.310 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.123 -5.492 9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.672 -4.809 10.421 1.00 0.00 H new ATOM 453 N GLU A 28 -5.425 -8.131 9.581 1.00 0.00 N ATOM 454 CA GLU A 28 -6.728 -8.651 9.959 1.00 0.00 C ATOM 455 C GLU A 28 -7.217 -7.975 11.242 1.00 0.00 C ATOM 456 O GLU A 28 -8.413 -7.738 11.406 1.00 0.00 O ATOM 457 CB GLU A 28 -6.686 -10.171 10.121 1.00 0.00 C ATOM 458 CG GLU A 28 -7.980 -10.692 10.750 1.00 0.00 C ATOM 459 CD GLU A 28 -9.196 -10.293 9.911 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.270 -10.639 8.723 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.085 -9.598 10.536 1.00 0.00 O ATOM 0 H GLU A 28 -4.705 -8.841 9.448 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.434 -8.424 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.536 -10.640 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.836 -10.450 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.935 -11.777 10.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.084 -10.294 11.760 1.00 0.00 H new ATOM 469 N SER A 29 -6.267 -7.685 12.118 1.00 0.00 N ATOM 470 CA SER A 29 -6.586 -7.041 13.381 1.00 0.00 C ATOM 471 C SER A 29 -7.182 -5.655 13.127 1.00 0.00 C ATOM 472 O SER A 29 -7.733 -5.036 14.036 1.00 0.00 O ATOM 473 CB SER A 29 -5.347 -6.931 14.272 1.00 0.00 C ATOM 474 OG SER A 29 -5.571 -6.083 15.395 1.00 0.00 O ATOM 0 H SER A 29 -5.276 -7.884 11.979 1.00 0.00 H new ATOM 0 HA SER A 29 -7.321 -7.655 13.901 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.060 -7.924 14.619 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.513 -6.545 13.687 1.00 0.00 H new ATOM 0 HG SER A 29 -6.290 -5.450 15.189 1.00 0.00 H new ATOM 480 N GLU A 30 -7.051 -5.208 11.887 1.00 0.00 N ATOM 481 CA GLU A 30 -7.569 -3.907 11.501 1.00 0.00 C ATOM 482 C GLU A 30 -8.601 -4.057 10.381 1.00 0.00 C ATOM 483 O GLU A 30 -9.009 -3.069 9.772 1.00 0.00 O ATOM 484 CB GLU A 30 -6.436 -2.968 11.081 1.00 0.00 C ATOM 485 CG GLU A 30 -5.849 -2.240 12.292 1.00 0.00 C ATOM 486 CD GLU A 30 -6.620 -0.951 12.583 1.00 0.00 C ATOM 487 OE1 GLU A 30 -6.992 -0.226 11.648 1.00 0.00 O ATOM 488 OE2 GLU A 30 -6.831 -0.712 13.833 1.00 0.00 O ATOM 0 H GLU A 30 -6.593 -5.724 11.136 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.062 -3.463 12.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.653 -3.538 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.810 -2.240 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.882 -2.893 13.164 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.800 -2.007 12.108 1.00 0.00 H new ATOM 496 N SER A 31 -8.993 -5.300 10.144 1.00 0.00 N ATOM 497 CA SER A 31 -9.969 -5.592 9.108 1.00 0.00 C ATOM 498 C SER A 31 -11.031 -4.491 9.064 1.00 0.00 C ATOM 499 O SER A 31 -11.576 -4.107 10.098 1.00 0.00 O ATOM 500 CB SER A 31 -10.627 -6.954 9.340 1.00 0.00 C ATOM 501 OG SER A 31 -12.038 -6.844 9.507 1.00 0.00 O ATOM 0 H SER A 31 -8.652 -6.117 10.652 1.00 0.00 H new ATOM 0 HA SER A 31 -9.451 -5.627 8.150 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.412 -7.609 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.193 -7.421 10.224 1.00 0.00 H new ATOM 0 HG SER A 31 -12.421 -7.735 9.651 1.00 0.00 H new ATOM 507 N HIS A 32 -11.292 -4.013 7.856 1.00 0.00 N ATOM 508 CA HIS A 32 -12.278 -2.963 7.664 1.00 0.00 C ATOM 509 C HIS A 32 -12.946 -3.131 6.298 1.00 0.00 C ATOM 510 O HIS A 32 -13.524 -4.178 6.010 1.00 0.00 O ATOM 511 CB HIS A 32 -11.645 -1.582 7.849 1.00 0.00 C ATOM 512 CG HIS A 32 -10.422 -1.348 6.993 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.389 -2.177 6.669 1.00 0.00 N flip ATOM 514 CD2 HIS A 32 -10.167 -0.141 6.366 1.00 0.00 C flip ATOM 515 CE1 HIS A 32 -8.549 -1.513 5.885 1.00 0.00 C flip ATOM 516 NE2 HIS A 32 -9.029 -0.250 5.697 1.00 0.00 N flip ATOM 0 H HIS A 32 -10.838 -4.333 7.001 1.00 0.00 H new ATOM 0 HA HIS A 32 -13.056 -3.046 8.423 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.389 -0.819 7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.372 -1.456 8.897 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.790 0.740 6.414 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.636 -1.908 5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.589 0.482 5.139 1.00 0.00 H new ATOM 524 N PHE A 33 -12.845 -2.084 5.493 1.00 0.00 N ATOM 525 CA PHE A 33 -13.433 -2.102 4.164 1.00 0.00 C ATOM 526 C PHE A 33 -13.144 -3.427 3.455 1.00 0.00 C ATOM 527 O PHE A 33 -12.414 -4.268 3.977 1.00 0.00 O ATOM 528 CB PHE A 33 -12.787 -0.963 3.374 1.00 0.00 C ATOM 529 CG PHE A 33 -13.372 0.418 3.680 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.976 0.649 4.877 1.00 0.00 C ATOM 531 CD2 PHE A 33 -13.287 1.412 2.757 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.519 1.930 5.161 1.00 0.00 C ATOM 533 CE2 PHE A 33 -13.830 2.693 3.042 1.00 0.00 C ATOM 534 CZ PHE A 33 -14.434 2.925 4.238 1.00 0.00 C ATOM 0 H PHE A 33 -12.365 -1.217 5.735 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.515 -1.986 4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.718 -0.948 3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -12.898 -1.165 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.042 -0.141 5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -12.807 1.228 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.000 2.114 6.110 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -13.763 3.483 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.846 3.899 4.455 1.00 0.00 H new ATOM 544 N LYS A 34 -13.731 -3.570 2.276 1.00 0.00 N ATOM 545 CA LYS A 34 -13.546 -4.778 1.490 1.00 0.00 C ATOM 546 C LYS A 34 -13.522 -4.416 0.004 1.00 0.00 C ATOM 547 O LYS A 34 -13.360 -3.249 -0.352 1.00 0.00 O ATOM 548 CB LYS A 34 -14.606 -5.821 1.852 1.00 0.00 C ATOM 549 CG LYS A 34 -16.002 -5.348 1.441 1.00 0.00 C ATOM 550 CD LYS A 34 -16.749 -4.744 2.632 1.00 0.00 C ATOM 551 CE LYS A 34 -17.400 -5.836 3.483 1.00 0.00 C ATOM 552 NZ LYS A 34 -18.851 -5.584 3.628 1.00 0.00 N ATOM 0 H LYS A 34 -14.335 -2.869 1.846 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.586 -5.239 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.377 -6.765 1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.583 -6.011 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.919 -4.607 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.570 -6.187 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.057 -4.165 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.513 -4.053 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.238 -6.810 3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.930 -5.868 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.277 -6.334 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.999 -4.664 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.298 -5.577 2.689 1.00 0.00 H new ATOM 565 N THR A 35 -13.685 -5.437 -0.824 1.00 0.00 N ATOM 566 CA THR A 35 -13.684 -5.241 -2.264 1.00 0.00 C ATOM 567 C THR A 35 -14.997 -4.597 -2.715 1.00 0.00 C ATOM 568 O THR A 35 -16.003 -4.671 -2.011 1.00 0.00 O ATOM 569 CB THR A 35 -13.411 -6.593 -2.925 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.250 -7.078 -2.258 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.972 -6.453 -4.384 1.00 0.00 C ATOM 0 H THR A 35 -13.819 -6.403 -0.525 1.00 0.00 H new ATOM 0 HA THR A 35 -12.898 -4.550 -2.569 1.00 0.00 H new ATOM 0 HB THR A 35 -14.308 -7.210 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.004 -7.953 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.791 -7.442 -4.806 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.756 -5.953 -4.953 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.056 -5.864 -4.433 1.00 0.00 H new ATOM 579 N GLY A 36 -14.944 -3.981 -3.887 1.00 0.00 N ATOM 580 CA GLY A 36 -16.117 -3.325 -4.441 1.00 0.00 C ATOM 581 C GLY A 36 -16.400 -2.007 -3.718 1.00 0.00 C ATOM 582 O GLY A 36 -17.494 -1.455 -3.831 1.00 0.00 O ATOM 0 H GLY A 36 -14.108 -3.922 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.965 -3.136 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.981 -3.984 -4.355 1.00 0.00 H new ATOM 586 N ASP A 37 -15.396 -1.540 -2.990 1.00 0.00 N ATOM 587 CA ASP A 37 -15.524 -0.297 -2.249 1.00 0.00 C ATOM 588 C ASP A 37 -14.416 0.666 -2.681 1.00 0.00 C ATOM 589 O ASP A 37 -13.694 0.396 -3.640 1.00 0.00 O ATOM 590 CB ASP A 37 -15.381 -0.536 -0.744 1.00 0.00 C ATOM 591 CG ASP A 37 -16.640 -0.250 0.078 1.00 0.00 C ATOM 592 OD1 ASP A 37 -17.622 0.309 -0.432 1.00 0.00 O ATOM 593 OD2 ASP A 37 -16.585 -0.633 1.309 1.00 0.00 O ATOM 0 H ASP A 37 -14.490 -2.000 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.510 0.119 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.087 -1.573 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.570 0.087 -0.368 1.00 0.00 H new ATOM 599 N VAL A 38 -14.317 1.769 -1.954 1.00 0.00 N ATOM 600 CA VAL A 38 -13.310 2.773 -2.250 1.00 0.00 C ATOM 601 C VAL A 38 -12.211 2.717 -1.187 1.00 0.00 C ATOM 602 O VAL A 38 -12.479 2.399 -0.029 1.00 0.00 O ATOM 603 CB VAL A 38 -13.963 4.152 -2.363 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.192 5.192 -1.547 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.086 4.583 -3.825 1.00 0.00 C ATOM 0 H VAL A 38 -14.918 1.989 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.841 2.570 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.969 4.081 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.677 6.163 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.180 4.896 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.169 5.259 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.553 5.566 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.095 4.628 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.698 3.862 -4.367 1.00 0.00 H new ATOM 615 N LEU A 39 -10.998 3.030 -1.618 1.00 0.00 N ATOM 616 CA LEU A 39 -9.858 3.019 -0.717 1.00 0.00 C ATOM 617 C LEU A 39 -9.101 4.342 -0.844 1.00 0.00 C ATOM 618 O LEU A 39 -8.407 4.572 -1.833 1.00 0.00 O ATOM 619 CB LEU A 39 -8.988 1.786 -0.969 1.00 0.00 C ATOM 620 CG LEU A 39 -9.479 0.479 -0.343 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.762 -0.726 -0.955 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.341 0.515 1.181 1.00 0.00 C ATOM 0 H LEU A 39 -10.780 3.293 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.191 2.940 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.902 1.640 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.985 1.991 -0.594 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.540 0.370 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.130 -1.642 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.955 -0.758 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.689 -0.638 -0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.697 -0.426 1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.294 0.659 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.934 1.338 1.581 1.00 0.00 H new ATOM 634 N ARG A 40 -9.260 5.178 0.171 1.00 0.00 N ATOM 635 CA ARG A 40 -8.600 6.472 0.186 1.00 0.00 C ATOM 636 C ARG A 40 -7.094 6.298 0.397 1.00 0.00 C ATOM 637 O ARG A 40 -6.669 5.536 1.264 1.00 0.00 O ATOM 638 CB ARG A 40 -9.163 7.365 1.293 1.00 0.00 C ATOM 639 CG ARG A 40 -9.355 8.800 0.797 1.00 0.00 C ATOM 640 CD ARG A 40 -10.739 9.331 1.176 1.00 0.00 C ATOM 641 NE ARG A 40 -10.605 10.580 1.959 1.00 0.00 N ATOM 642 CZ ARG A 40 -11.613 11.451 2.171 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.841 11.217 1.661 1.00 0.00 N ATOM 644 NH2 ARG A 40 -11.381 12.536 2.886 1.00 0.00 N ATOM 0 H ARG A 40 -9.837 4.984 0.990 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.783 6.948 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.117 6.965 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.487 7.360 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.585 9.442 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.233 8.834 -0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.325 9.517 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.278 8.583 1.758 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.694 10.795 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.013 10.376 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.597 11.881 1.827 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.451 12.705 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.132 13.205 3.056 1.00 0.00 H new ATOM 657 N VAL A 41 -6.329 7.017 -0.412 1.00 0.00 N ATOM 658 CA VAL A 41 -4.880 6.951 -0.325 1.00 0.00 C ATOM 659 C VAL A 41 -4.337 8.314 0.112 1.00 0.00 C ATOM 660 O VAL A 41 -4.828 9.352 -0.329 1.00 0.00 O ATOM 661 CB VAL A 41 -4.297 6.474 -1.656 1.00 0.00 C ATOM 662 CG1 VAL A 41 -4.943 5.160 -2.098 1.00 0.00 C ATOM 663 CG2 VAL A 41 -4.445 7.548 -2.736 1.00 0.00 C ATOM 0 H VAL A 41 -6.685 7.648 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.575 6.223 0.427 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.233 6.291 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.511 4.843 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.763 4.394 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.017 5.305 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.022 7.183 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.501 7.777 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.917 8.450 -2.427 1.00 0.00 H new ATOM 673 N GLY A 42 -3.331 8.266 0.973 1.00 0.00 N ATOM 674 CA GLY A 42 -2.717 9.483 1.474 1.00 0.00 C ATOM 675 C GLY A 42 -1.195 9.342 1.539 1.00 0.00 C ATOM 676 O GLY A 42 -0.585 8.744 0.654 1.00 0.00 O ATOM 0 H GLY A 42 -2.926 7.403 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.981 10.320 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.108 9.710 2.466 1.00 0.00 H new ATOM 680 N ARG A 43 -0.625 9.904 2.596 1.00 0.00 N ATOM 681 CA ARG A 43 0.814 9.848 2.788 1.00 0.00 C ATOM 682 C ARG A 43 1.149 9.812 4.280 1.00 0.00 C ATOM 683 O ARG A 43 0.553 10.541 5.072 1.00 0.00 O ATOM 684 CB ARG A 43 1.502 11.055 2.146 1.00 0.00 C ATOM 685 CG ARG A 43 2.802 10.640 1.454 1.00 0.00 C ATOM 686 CD ARG A 43 3.765 11.824 1.342 1.00 0.00 C ATOM 687 NE ARG A 43 3.680 12.419 -0.010 1.00 0.00 N ATOM 688 CZ ARG A 43 4.180 13.630 -0.337 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.806 14.386 0.590 1.00 0.00 N ATOM 690 NH2 ARG A 43 4.048 14.064 -1.576 1.00 0.00 N ATOM 0 H ARG A 43 -1.134 10.400 3.328 1.00 0.00 H new ATOM 0 HA ARG A 43 1.178 8.939 2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.832 11.518 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.715 11.805 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.275 9.833 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.581 10.251 0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.521 12.574 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.785 11.494 1.540 1.00 0.00 H new ATOM 0 HE ARG A 43 3.215 11.881 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.904 14.044 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.181 15.300 0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.574 13.487 -2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.420 14.977 -1.839 1.00 0.00 H new ATOM 813 N CYS A 51 -5.601 11.255 -2.476 1.00 0.00 N ATOM 814 CA CYS A 51 -6.596 10.920 -3.481 1.00 0.00 C ATOM 815 C CYS A 51 -7.354 9.676 -3.011 1.00 0.00 C ATOM 816 O CYS A 51 -7.124 9.186 -1.907 1.00 0.00 O ATOM 817 CB CYS A 51 -5.963 10.715 -4.858 1.00 0.00 C ATOM 818 SG CYS A 51 -4.800 12.081 -5.221 1.00 0.00 S ATOM 0 HA CYS A 51 -7.294 11.749 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.437 9.761 -4.887 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.739 10.674 -5.622 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.332 12.560 -4.107 1.00 0.00 H new ATOM 824 N THR A 52 -8.241 9.202 -3.873 1.00 0.00 N ATOM 825 CA THR A 52 -9.034 8.026 -3.560 1.00 0.00 C ATOM 826 C THR A 52 -8.931 6.998 -4.688 1.00 0.00 C ATOM 827 O THR A 52 -8.675 7.355 -5.837 1.00 0.00 O ATOM 828 CB THR A 52 -10.468 8.482 -3.282 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.311 9.710 -2.576 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.190 7.570 -2.288 1.00 0.00 C ATOM 0 H THR A 52 -8.428 9.611 -4.788 1.00 0.00 H new ATOM 0 HA THR A 52 -8.660 7.523 -2.669 1.00 0.00 H new ATOM 0 HB THR A 52 -11.027 8.513 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.193 10.077 -2.357 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.203 7.938 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.232 6.557 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.650 7.564 -1.341 1.00 0.00 H new ATOM 838 N ILE A 53 -9.137 5.741 -4.322 1.00 0.00 N ATOM 839 CA ILE A 53 -9.071 4.659 -5.289 1.00 0.00 C ATOM 840 C ILE A 53 -10.168 3.638 -4.981 1.00 0.00 C ATOM 841 O ILE A 53 -10.843 3.736 -3.957 1.00 0.00 O ATOM 842 CB ILE A 53 -7.664 4.059 -5.326 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.545 2.882 -4.355 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.604 5.129 -5.061 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.079 2.510 -4.122 1.00 0.00 C ATOM 0 H ILE A 53 -9.350 5.448 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.259 5.035 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.485 3.670 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.014 3.140 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.083 2.022 -4.753 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.613 4.676 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.672 5.906 -5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.770 5.570 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.022 1.671 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.620 2.229 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.549 3.365 -3.702 1.00 0.00 H new ATOM 857 N GLU A 54 -10.311 2.680 -5.885 1.00 0.00 N ATOM 858 CA GLU A 54 -11.314 1.642 -5.723 1.00 0.00 C ATOM 859 C GLU A 54 -10.654 0.261 -5.718 1.00 0.00 C ATOM 860 O GLU A 54 -9.667 0.039 -6.418 1.00 0.00 O ATOM 861 CB GLU A 54 -12.382 1.735 -6.815 1.00 0.00 C ATOM 862 CG GLU A 54 -13.731 1.221 -6.308 1.00 0.00 C ATOM 863 CD GLU A 54 -14.801 1.326 -7.396 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.450 2.375 -7.528 1.00 0.00 O ATOM 865 OE2 GLU A 54 -14.948 0.269 -8.121 1.00 0.00 O ATOM 0 H GLU A 54 -9.749 2.601 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.809 1.790 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.483 2.770 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.071 1.154 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.632 0.183 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.038 1.796 -5.434 1.00 0.00 H new ATOM 873 N VAL A 55 -11.224 -0.630 -4.921 1.00 0.00 N ATOM 874 CA VAL A 55 -10.703 -1.982 -4.816 1.00 0.00 C ATOM 875 C VAL A 55 -11.094 -2.773 -6.066 1.00 0.00 C ATOM 876 O VAL A 55 -12.117 -2.492 -6.688 1.00 0.00 O ATOM 877 CB VAL A 55 -11.192 -2.632 -3.520 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.107 -3.524 -2.912 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.658 -1.574 -2.518 1.00 0.00 C ATOM 0 H VAL A 55 -12.042 -0.442 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.614 -1.969 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.047 -3.263 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.479 -3.974 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.843 -4.310 -3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.224 -2.924 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.000 -2.063 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.830 -0.906 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.476 -0.999 -2.951 1.00 0.00 H new ATOM 889 N THR A 56 -10.259 -3.748 -6.396 1.00 0.00 N ATOM 890 CA THR A 56 -10.505 -4.581 -7.560 1.00 0.00 C ATOM 891 C THR A 56 -10.515 -6.059 -7.165 1.00 0.00 C ATOM 892 O THR A 56 -11.401 -6.809 -7.575 1.00 0.00 O ATOM 893 CB THR A 56 -9.451 -4.242 -8.616 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.709 -5.163 -9.673 1.00 0.00 O ATOM 895 CG2 THR A 56 -8.032 -4.587 -8.159 1.00 0.00 C ATOM 0 H THR A 56 -9.412 -3.979 -5.877 1.00 0.00 H new ATOM 0 HA THR A 56 -11.488 -4.384 -7.987 1.00 0.00 H new ATOM 0 HB THR A 56 -9.507 -3.180 -8.856 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.071 -5.012 -10.401 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.323 -4.327 -8.945 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.794 -4.026 -7.255 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.966 -5.655 -7.950 1.00 0.00 H new ATOM 903 N ALA A 57 -9.521 -6.434 -6.375 1.00 0.00 N ATOM 904 CA ALA A 57 -9.404 -7.809 -5.920 1.00 0.00 C ATOM 905 C ALA A 57 -8.748 -7.831 -4.537 1.00 0.00 C ATOM 906 O ALA A 57 -8.250 -6.809 -4.067 1.00 0.00 O ATOM 907 CB ALA A 57 -8.619 -8.623 -6.950 1.00 0.00 C ATOM 0 H ALA A 57 -8.788 -5.810 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.389 -8.266 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.531 -9.654 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.142 -8.601 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.624 -8.195 -7.070 1.00 0.00 H new ATOM 913 N THR A 58 -8.769 -9.006 -3.926 1.00 0.00 N ATOM 914 CA THR A 58 -8.183 -9.174 -2.607 1.00 0.00 C ATOM 915 C THR A 58 -7.627 -10.590 -2.447 1.00 0.00 C ATOM 916 O THR A 58 -8.150 -11.536 -3.033 1.00 0.00 O ATOM 917 CB THR A 58 -9.248 -8.818 -1.567 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.176 -7.398 -1.469 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.883 -9.308 -0.164 1.00 0.00 C ATOM 0 H THR A 58 -9.183 -9.851 -4.320 1.00 0.00 H new ATOM 0 HA THR A 58 -7.333 -8.507 -2.464 1.00 0.00 H new ATOM 0 HB THR A 58 -10.204 -9.249 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.783 -7.033 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.671 -9.030 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.773 -10.392 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.944 -8.851 0.148 1.00 0.00 H new ATOM 927 N SER A 59 -6.573 -10.691 -1.650 1.00 0.00 N ATOM 928 CA SER A 59 -5.940 -11.976 -1.405 1.00 0.00 C ATOM 929 C SER A 59 -5.188 -11.943 -0.073 1.00 0.00 C ATOM 930 O SER A 59 -5.010 -10.879 0.517 1.00 0.00 O ATOM 931 CB SER A 59 -4.989 -12.347 -2.544 1.00 0.00 C ATOM 932 OG SER A 59 -4.762 -11.252 -3.428 1.00 0.00 O ATOM 0 H SER A 59 -6.142 -9.904 -1.166 1.00 0.00 H new ATOM 0 HA SER A 59 -6.718 -12.738 -1.356 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.038 -12.681 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.404 -13.185 -3.104 1.00 0.00 H new ATOM 0 HG SER A 59 -4.148 -11.528 -4.140 1.00 0.00 H new ATOM 938 N THR A 60 -4.765 -13.122 0.360 1.00 0.00 N ATOM 939 CA THR A 60 -4.036 -13.241 1.611 1.00 0.00 C ATOM 940 C THR A 60 -2.576 -13.615 1.343 1.00 0.00 C ATOM 941 O THR A 60 -2.277 -14.757 0.998 1.00 0.00 O ATOM 942 CB THR A 60 -4.770 -14.254 2.492 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.439 -15.102 1.562 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.904 -13.616 3.297 1.00 0.00 C ATOM 0 H THR A 60 -4.913 -14.002 -0.133 1.00 0.00 H new ATOM 0 HA THR A 60 -4.004 -12.290 2.142 1.00 0.00 H new ATOM 0 HB THR A 60 -4.061 -14.724 3.173 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.939 -15.790 2.048 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.392 -14.378 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.498 -12.840 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.631 -13.175 2.615 1.00 0.00 H new ATOM 952 N VAL A 61 -1.706 -12.630 1.513 1.00 0.00 N ATOM 953 CA VAL A 61 -0.286 -12.841 1.294 1.00 0.00 C ATOM 954 C VAL A 61 0.508 -11.794 2.079 1.00 0.00 C ATOM 955 O VAL A 61 -0.073 -10.883 2.667 1.00 0.00 O ATOM 956 CB VAL A 61 0.021 -12.824 -0.205 1.00 0.00 C ATOM 957 CG1 VAL A 61 1.015 -13.927 -0.574 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.262 -12.944 -1.029 1.00 0.00 C ATOM 0 H VAL A 61 -1.958 -11.684 1.800 1.00 0.00 H new ATOM 0 HA VAL A 61 0.016 -13.821 1.663 1.00 0.00 H new ATOM 0 HB VAL A 61 0.482 -11.865 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.216 -13.893 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.945 -13.777 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.593 -14.898 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.015 -12.929 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.764 -13.880 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.922 -12.108 -0.798 1.00 0.00 H new ATOM 968 N THR A 62 1.822 -11.959 2.062 1.00 0.00 N ATOM 969 CA THR A 62 2.701 -11.039 2.764 1.00 0.00 C ATOM 970 C THR A 62 2.762 -9.697 2.033 1.00 0.00 C ATOM 971 O THR A 62 1.814 -9.315 1.349 1.00 0.00 O ATOM 972 CB THR A 62 4.067 -11.712 2.914 1.00 0.00 C ATOM 973 OG1 THR A 62 3.756 -13.044 3.315 1.00 0.00 O ATOM 974 CG2 THR A 62 4.872 -11.148 4.086 1.00 0.00 C ATOM 0 H THR A 62 2.300 -12.716 1.573 1.00 0.00 H new ATOM 0 HA THR A 62 2.322 -10.813 3.761 1.00 0.00 H new ATOM 0 HB THR A 62 4.635 -11.590 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.527 -13.435 3.778 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.832 -11.660 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.038 -10.082 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.320 -11.300 5.013 1.00 0.00 H new ATOM 982 N LEU A 63 3.887 -9.017 2.203 1.00 0.00 N ATOM 983 CA LEU A 63 4.084 -7.725 1.569 1.00 0.00 C ATOM 984 C LEU A 63 4.991 -7.895 0.348 1.00 0.00 C ATOM 985 O LEU A 63 4.553 -7.711 -0.786 1.00 0.00 O ATOM 986 CB LEU A 63 4.601 -6.703 2.583 1.00 0.00 C ATOM 987 CG LEU A 63 5.766 -7.162 3.462 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.036 -6.367 3.149 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.396 -7.090 4.945 1.00 0.00 C ATOM 0 H LEU A 63 4.671 -9.337 2.771 1.00 0.00 H new ATOM 0 HA LEU A 63 3.135 -7.328 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.910 -5.808 2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.774 -6.414 3.232 1.00 0.00 H new ATOM 0 HG LEU A 63 5.975 -8.207 3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.849 -6.713 3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.308 -6.513 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.857 -5.308 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.242 -7.422 5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.144 -6.063 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.538 -7.734 5.138 1.00 0.00 H new ATOM 1001 N ASP A 64 6.240 -8.243 0.623 1.00 0.00 N ATOM 1002 CA ASP A 64 7.213 -8.439 -0.438 1.00 0.00 C ATOM 1003 C ASP A 64 6.739 -9.567 -1.356 1.00 0.00 C ATOM 1004 O ASP A 64 7.347 -9.824 -2.394 1.00 0.00 O ATOM 1005 CB ASP A 64 8.577 -8.834 0.131 1.00 0.00 C ATOM 1006 CG ASP A 64 9.763 -8.048 -0.429 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.209 -7.055 0.164 1.00 0.00 O ATOM 1008 OD2 ASP A 64 10.241 -8.499 -1.539 1.00 0.00 O ATOM 0 H ASP A 64 6.600 -8.394 1.565 1.00 0.00 H new ATOM 0 HA ASP A 64 7.309 -7.501 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.554 -8.705 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.740 -9.895 -0.060 1.00 0.00 H new ATOM 1014 N THR A 65 5.658 -10.211 -0.941 1.00 0.00 N ATOM 1015 CA THR A 65 5.095 -11.306 -1.713 1.00 0.00 C ATOM 1016 C THR A 65 4.312 -10.766 -2.912 1.00 0.00 C ATOM 1017 O THR A 65 3.794 -11.537 -3.717 1.00 0.00 O ATOM 1018 CB THR A 65 4.249 -12.163 -0.770 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.713 -11.228 0.163 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.098 -13.102 0.089 1.00 0.00 C ATOM 0 H THR A 65 5.157 -9.995 -0.079 1.00 0.00 H new ATOM 0 HA THR A 65 5.878 -11.937 -2.134 1.00 0.00 H new ATOM 0 HB THR A 65 3.538 -12.748 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.897 -10.829 -0.206 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.448 -13.687 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.664 -13.773 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.787 -12.516 0.697 1.00 0.00 H new ATOM 1028 N LEU A 66 4.251 -9.445 -2.991 1.00 0.00 N ATOM 1029 CA LEU A 66 3.540 -8.793 -4.078 1.00 0.00 C ATOM 1030 C LEU A 66 3.779 -7.284 -4.005 1.00 0.00 C ATOM 1031 O LEU A 66 4.027 -6.641 -5.025 1.00 0.00 O ATOM 1032 CB LEU A 66 2.060 -9.182 -4.059 1.00 0.00 C ATOM 1033 CG LEU A 66 1.315 -8.925 -2.748 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.097 -7.427 -2.526 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.002 -9.709 -2.701 1.00 0.00 C ATOM 0 H LEU A 66 4.682 -8.809 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 66 3.923 -9.131 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.552 -8.638 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.981 -10.243 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 66 1.934 -9.285 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.565 -7.272 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.062 -6.921 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.509 -7.019 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.508 -9.509 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.635 -9.402 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.212 -10.776 -2.780 1.00 0.00 H new ATOM 1047 N THR A 67 3.697 -6.761 -2.790 1.00 0.00 N ATOM 1048 CA THR A 67 3.902 -5.340 -2.572 1.00 0.00 C ATOM 1049 C THR A 67 5.100 -4.842 -3.384 1.00 0.00 C ATOM 1050 O THR A 67 6.041 -5.595 -3.634 1.00 0.00 O ATOM 1051 CB THR A 67 4.051 -5.109 -1.067 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.532 -3.798 -0.863 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.514 -5.002 -0.632 1.00 0.00 C ATOM 0 H THR A 67 3.491 -7.297 -1.947 1.00 0.00 H new ATOM 0 HA THR A 67 3.048 -4.760 -2.922 1.00 0.00 H new ATOM 0 HB THR A 67 3.570 -5.924 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.589 -3.568 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.562 -4.838 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.037 -5.925 -0.883 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.987 -4.166 -1.148 1.00 0.00 H new ATOM 1061 N GLU A 68 5.027 -3.578 -3.772 1.00 0.00 N ATOM 1062 CA GLU A 68 6.093 -2.971 -4.551 1.00 0.00 C ATOM 1063 C GLU A 68 7.450 -3.252 -3.901 1.00 0.00 C ATOM 1064 O GLU A 68 8.482 -3.212 -4.569 1.00 0.00 O ATOM 1065 CB GLU A 68 5.865 -1.467 -4.715 1.00 0.00 C ATOM 1066 CG GLU A 68 5.162 -1.161 -6.039 1.00 0.00 C ATOM 1067 CD GLU A 68 6.108 -0.455 -7.012 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.217 0.780 -6.985 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.745 -1.237 -7.817 1.00 0.00 O ATOM 0 H GLU A 68 4.246 -2.957 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 68 6.088 -3.416 -5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.264 -1.094 -3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.821 -0.944 -4.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.801 -2.087 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.290 -0.534 -5.855 1.00 0.00 H new ATOM 1077 N LYS A 69 7.404 -3.530 -2.607 1.00 0.00 N ATOM 1078 CA LYS A 69 8.617 -3.817 -1.860 1.00 0.00 C ATOM 1079 C LYS A 69 9.441 -4.861 -2.616 1.00 0.00 C ATOM 1080 O LYS A 69 10.668 -4.869 -2.531 1.00 0.00 O ATOM 1081 CB LYS A 69 8.279 -4.222 -0.424 1.00 0.00 C ATOM 1082 CG LYS A 69 9.524 -4.185 0.464 1.00 0.00 C ATOM 1083 CD LYS A 69 9.798 -2.766 0.965 1.00 0.00 C ATOM 1084 CE LYS A 69 8.583 -2.199 1.701 1.00 0.00 C ATOM 1085 NZ LYS A 69 7.984 -1.085 0.932 1.00 0.00 N ATOM 0 H LYS A 69 6.546 -3.563 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 69 9.234 -2.922 -1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.521 -3.550 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.852 -5.225 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.389 -4.855 1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.385 -4.550 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.661 -2.772 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.050 -2.122 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.842 -2.984 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.880 -1.848 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.005 -0.217 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.526 -0.936 0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.999 -1.318 0.693 1.00 0.00 H new ATOM 1098 N HIS A 70 8.734 -5.717 -3.338 1.00 0.00 N ATOM 1099 CA HIS A 70 9.385 -6.763 -4.108 1.00 0.00 C ATOM 1100 C HIS A 70 10.255 -6.133 -5.197 1.00 0.00 C ATOM 1101 O HIS A 70 11.440 -6.445 -5.307 1.00 0.00 O ATOM 1102 CB HIS A 70 8.354 -7.746 -4.668 1.00 0.00 C ATOM 1103 CG HIS A 70 8.924 -8.736 -5.656 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.593 -8.730 -7.000 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.806 -9.762 -5.482 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.251 -9.712 -7.597 1.00 0.00 C ATOM 1107 NE2 HIS A 70 10.002 -10.351 -6.655 1.00 0.00 N ATOM 0 H HIS A 70 7.716 -5.708 -3.406 1.00 0.00 H new ATOM 0 HA HIS A 70 10.040 -7.343 -3.459 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.902 -8.293 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.556 -7.183 -5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.267 -10.047 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.202 -9.963 -8.646 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.613 -11.150 -6.824 1.00 0.00 H new ATOM 1115 N ALA A 71 9.635 -5.257 -5.973 1.00 0.00 N ATOM 1116 CA ALA A 71 10.338 -4.579 -7.049 1.00 0.00 C ATOM 1117 C ALA A 71 11.515 -3.794 -6.467 1.00 0.00 C ATOM 1118 O ALA A 71 12.607 -3.794 -7.034 1.00 0.00 O ATOM 1119 CB ALA A 71 9.362 -3.685 -7.814 1.00 0.00 C ATOM 0 H ALA A 71 8.652 -5.001 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 71 10.742 -5.301 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.890 -3.177 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.561 -4.295 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.938 -2.945 -7.135 1.00 0.00 H new ATOM 1125 N GLU A 72 11.254 -3.143 -5.343 1.00 0.00 N ATOM 1126 CA GLU A 72 12.278 -2.355 -4.679 1.00 0.00 C ATOM 1127 C GLU A 72 13.418 -3.258 -4.204 1.00 0.00 C ATOM 1128 O GLU A 72 14.590 -2.929 -4.383 1.00 0.00 O ATOM 1129 CB GLU A 72 11.687 -1.559 -3.513 1.00 0.00 C ATOM 1130 CG GLU A 72 12.413 -0.224 -3.337 1.00 0.00 C ATOM 1131 CD GLU A 72 11.844 0.557 -2.150 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.691 0.330 -1.755 1.00 0.00 O ATOM 1133 OE2 GLU A 72 12.646 1.426 -1.635 1.00 0.00 O ATOM 0 H GLU A 72 10.348 -3.145 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 72 12.681 -1.641 -5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.627 -1.380 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.762 -2.142 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.477 -0.402 -3.183 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.317 0.369 -4.247 1.00 0.00 H new ATOM 1141 N GLN A 73 13.035 -4.378 -3.610 1.00 0.00 N ATOM 1142 CA GLN A 73 14.011 -5.331 -3.108 1.00 0.00 C ATOM 1143 C GLN A 73 14.995 -5.715 -4.215 1.00 0.00 C ATOM 1144 O GLN A 73 16.187 -5.879 -3.961 1.00 0.00 O ATOM 1145 CB GLN A 73 13.322 -6.570 -2.533 1.00 0.00 C ATOM 1146 CG GLN A 73 14.017 -7.040 -1.254 1.00 0.00 C ATOM 1147 CD GLN A 73 14.432 -8.508 -1.363 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.727 -9.340 -1.910 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.612 -8.780 -0.813 1.00 0.00 N ATOM 0 H GLN A 73 12.062 -4.648 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 73 14.569 -4.858 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.277 -6.344 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.331 -7.371 -3.272 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.896 -6.423 -1.066 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.348 -6.910 -0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.152 -8.036 -0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 73 15.977 -9.732 -0.834 1.00 0.00 H new ATOM 1158 N GLU A 74 14.459 -5.847 -5.420 1.00 0.00 N ATOM 1159 CA GLU A 74 15.275 -6.208 -6.566 1.00 0.00 C ATOM 1160 C GLU A 74 15.770 -4.950 -7.283 1.00 0.00 C ATOM 1161 O GLU A 74 16.137 -5.004 -8.456 1.00 0.00 O ATOM 1162 CB GLU A 74 14.503 -7.117 -7.524 1.00 0.00 C ATOM 1163 CG GLU A 74 15.236 -7.256 -8.860 1.00 0.00 C ATOM 1164 CD GLU A 74 14.932 -8.605 -9.515 1.00 0.00 C ATOM 1165 OE1 GLU A 74 15.465 -9.638 -9.083 1.00 0.00 O ATOM 1166 OE2 GLU A 74 14.110 -8.556 -10.507 1.00 0.00 O ATOM 0 H GLU A 74 13.470 -5.710 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 74 16.142 -6.764 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.373 -8.101 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.506 -6.710 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.938 -6.448 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.310 -7.159 -8.701 1.00 0.00 H new ATOM 1174 N ASN A 75 15.764 -3.848 -6.548 1.00 0.00 N ATOM 1175 CA ASN A 75 16.208 -2.579 -7.099 1.00 0.00 C ATOM 1176 C ASN A 75 17.109 -1.874 -6.083 1.00 0.00 C ATOM 1177 O ASN A 75 18.270 -1.587 -6.372 1.00 0.00 O ATOM 1178 CB ASN A 75 15.020 -1.661 -7.395 1.00 0.00 C ATOM 1179 CG ASN A 75 14.583 -1.783 -8.856 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.432 -1.238 -9.722 1.00 0.00 O flip ATOM 1181 ND2 ASN A 75 13.544 -2.337 -9.176 1.00 0.00 N flip ATOM 0 H ASN A 75 15.459 -3.807 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 75 16.745 -2.783 -8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.187 -1.916 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.291 -0.628 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.937 -2.735 -8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.283 -2.402 -10.160 1.00 0.00 H new ATOM 1188 N MET A 76 16.540 -1.615 -4.915 1.00 0.00 N ATOM 1189 CA MET A 76 17.277 -0.949 -3.855 1.00 0.00 C ATOM 1190 C MET A 76 17.968 -1.966 -2.945 1.00 0.00 C ATOM 1191 O MET A 76 17.817 -3.173 -3.129 1.00 0.00 O ATOM 1192 CB MET A 76 16.318 -0.092 -3.027 1.00 0.00 C ATOM 1193 CG MET A 76 15.506 0.845 -3.924 1.00 0.00 C ATOM 1194 SD MET A 76 16.563 2.119 -4.591 1.00 0.00 S ATOM 1195 CE MET A 76 16.308 1.852 -6.337 1.00 0.00 C ATOM 0 H MET A 76 15.577 -1.854 -4.679 1.00 0.00 H new ATOM 0 HA MET A 76 18.041 -0.319 -4.310 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.644 -0.736 -2.463 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.882 0.493 -2.300 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.048 0.279 -4.735 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.695 1.296 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 76 16.625 2.736 -6.890 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.892 0.991 -6.663 1.00 0.00 H new ATOM 0 HE3 MET A 76 15.251 1.666 -6.526 1.00 0.00 H new ATOM 1205 N THR A 77 18.712 -1.442 -1.982 1.00 0.00 N ATOM 1206 CA THR A 77 19.427 -2.289 -1.043 1.00 0.00 C ATOM 1207 C THR A 77 18.501 -2.723 0.095 1.00 0.00 C ATOM 1208 O THR A 77 17.325 -2.365 0.114 1.00 0.00 O ATOM 1209 CB THR A 77 20.663 -1.526 -0.564 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.291 -2.421 0.351 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.305 -0.309 0.292 1.00 0.00 C ATOM 0 H THR A 77 18.835 -0.441 -1.832 1.00 0.00 H new ATOM 0 HA THR A 77 19.761 -3.212 -1.518 1.00 0.00 H new ATOM 0 HB THR A 77 21.247 -1.204 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.103 -2.006 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.218 0.197 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.692 0.378 -0.291 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.750 -0.634 1.172 1.00 0.00 H new ATOM 1219 N LEU A 78 19.068 -3.488 1.017 1.00 0.00 N ATOM 1220 CA LEU A 78 18.308 -3.974 2.156 1.00 0.00 C ATOM 1221 C LEU A 78 17.997 -2.805 3.093 1.00 0.00 C ATOM 1222 O LEU A 78 16.920 -2.749 3.684 1.00 0.00 O ATOM 1223 CB LEU A 78 19.044 -5.129 2.838 1.00 0.00 C ATOM 1224 CG LEU A 78 18.651 -6.536 2.385 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.871 -7.312 1.884 1.00 0.00 C ATOM 1226 CD2 LEU A 78 17.914 -7.284 3.497 1.00 0.00 C ATOM 0 H LEU A 78 20.044 -3.783 0.998 1.00 0.00 H new ATOM 0 HA LEU A 78 17.352 -4.384 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.114 -5.001 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.878 -5.055 3.913 1.00 0.00 H new ATOM 0 HG LEU A 78 17.961 -6.444 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.564 -8.309 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 78 20.316 -6.785 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.604 -7.396 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.646 -8.281 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 78 18.561 -7.366 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.009 -6.738 3.765 1.00 0.00 H new ATOM 1238 N THR A 79 18.959 -1.900 3.198 1.00 0.00 N ATOM 1239 CA THR A 79 18.801 -0.735 4.052 1.00 0.00 C ATOM 1240 C THR A 79 17.572 0.073 3.630 1.00 0.00 C ATOM 1241 O THR A 79 16.699 0.356 4.449 1.00 0.00 O ATOM 1242 CB THR A 79 20.102 0.067 4.003 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.831 -0.384 5.141 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.882 1.558 4.268 1.00 0.00 C ATOM 0 H THR A 79 19.851 -1.950 2.706 1.00 0.00 H new ATOM 0 HA THR A 79 18.620 -1.025 5.087 1.00 0.00 H new ATOM 0 HB THR A 79 20.571 -0.063 3.028 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.691 0.084 5.185 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.837 2.081 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 79 19.208 1.966 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.443 1.691 5.257 1.00 0.00 H new ATOM 1252 N GLU A 80 17.544 0.423 2.352 1.00 0.00 N ATOM 1253 CA GLU A 80 16.437 1.193 1.811 1.00 0.00 C ATOM 1254 C GLU A 80 15.119 0.443 2.015 1.00 0.00 C ATOM 1255 O GLU A 80 14.142 1.018 2.493 1.00 0.00 O ATOM 1256 CB GLU A 80 16.663 1.513 0.332 1.00 0.00 C ATOM 1257 CG GLU A 80 16.826 3.019 0.115 1.00 0.00 C ATOM 1258 CD GLU A 80 16.642 3.384 -1.359 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.642 2.988 -1.975 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.584 4.107 -1.863 1.00 0.00 O ATOM 0 H GLU A 80 18.270 0.187 1.676 1.00 0.00 H new ATOM 0 HA GLU A 80 16.381 2.139 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.552 0.992 -0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.821 1.146 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.097 3.558 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.814 3.333 0.450 1.00 0.00 H new ATOM 1268 N LEU A 81 15.135 -0.828 1.642 1.00 0.00 N ATOM 1269 CA LEU A 81 13.953 -1.662 1.778 1.00 0.00 C ATOM 1270 C LEU A 81 13.418 -1.552 3.208 1.00 0.00 C ATOM 1271 O LEU A 81 12.224 -1.340 3.413 1.00 0.00 O ATOM 1272 CB LEU A 81 14.257 -3.097 1.344 1.00 0.00 C ATOM 1273 CG LEU A 81 14.127 -3.387 -0.152 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.737 -3.930 -0.487 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.475 -2.150 -0.983 1.00 0.00 C ATOM 0 H LEU A 81 15.947 -1.301 1.246 1.00 0.00 H new ATOM 0 HA LEU A 81 13.162 -1.313 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.273 -3.342 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.588 -3.768 1.883 1.00 0.00 H new ATOM 0 HG LEU A 81 14.847 -4.163 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.672 -4.128 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.565 -4.855 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.982 -3.195 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.374 -2.384 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.798 -1.336 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.501 -1.848 -0.774 1.00 0.00 H new ATOM 1287 N LYS A 82 14.328 -1.702 4.159 1.00 0.00 N ATOM 1288 CA LYS A 82 13.963 -1.622 5.563 1.00 0.00 C ATOM 1289 C LYS A 82 13.448 -0.215 5.872 1.00 0.00 C ATOM 1290 O LYS A 82 12.576 -0.042 6.722 1.00 0.00 O ATOM 1291 CB LYS A 82 15.134 -2.056 6.447 1.00 0.00 C ATOM 1292 CG LYS A 82 14.644 -2.876 7.642 1.00 0.00 C ATOM 1293 CD LYS A 82 15.528 -4.105 7.863 1.00 0.00 C ATOM 1294 CE LYS A 82 14.679 -5.352 8.119 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.503 -6.125 6.869 1.00 0.00 N ATOM 0 H LYS A 82 15.317 -1.879 3.985 1.00 0.00 H new ATOM 0 HA LYS A 82 13.152 -2.315 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.838 -2.646 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.673 -1.177 6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.646 -2.256 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.614 -3.190 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.160 -4.264 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.192 -3.932 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.157 -5.975 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.706 -5.062 8.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.925 -6.968 7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.027 -5.533 6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.433 -6.418 6.508 1.00 0.00 H new ATOM 1308 N LYS A 83 14.010 0.755 5.166 1.00 0.00 N ATOM 1309 CA LYS A 83 13.618 2.142 5.354 1.00 0.00 C ATOM 1310 C LYS A 83 12.144 2.306 4.980 1.00 0.00 C ATOM 1311 O LYS A 83 11.355 2.830 5.765 1.00 0.00 O ATOM 1312 CB LYS A 83 14.556 3.073 4.583 1.00 0.00 C ATOM 1313 CG LYS A 83 14.928 4.295 5.425 1.00 0.00 C ATOM 1314 CD LYS A 83 14.065 5.502 5.051 1.00 0.00 C ATOM 1315 CE LYS A 83 13.746 6.351 6.283 1.00 0.00 C ATOM 1316 NZ LYS A 83 14.416 7.667 6.192 1.00 0.00 N ATOM 0 H LYS A 83 14.734 0.608 4.463 1.00 0.00 H new ATOM 0 HA LYS A 83 13.715 2.427 6.402 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.459 2.533 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.076 3.396 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.799 4.065 6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.981 4.536 5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.585 6.110 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.138 5.162 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.668 6.490 6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.072 5.832 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.189 8.231 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.445 7.529 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.085 8.167 5.342 1.00 0.00 H new ATOM 1329 N VAL A 84 11.816 1.850 3.780 1.00 0.00 N ATOM 1330 CA VAL A 84 10.451 1.940 3.292 1.00 0.00 C ATOM 1331 C VAL A 84 9.546 1.059 4.156 1.00 0.00 C ATOM 1332 O VAL A 84 8.411 1.429 4.451 1.00 0.00 O ATOM 1333 CB VAL A 84 10.400 1.575 1.807 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.340 2.465 0.992 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.726 0.095 1.595 1.00 0.00 C ATOM 0 H VAL A 84 12.473 1.417 3.131 1.00 0.00 H new ATOM 0 HA VAL A 84 10.083 2.963 3.374 1.00 0.00 H new ATOM 0 HB VAL A 84 9.384 1.748 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.285 2.185 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.044 3.508 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.362 2.337 1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.683 -0.138 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.727 -0.115 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 84 10.001 -0.518 2.130 1.00 0.00 H new ATOM 1345 N ILE A 85 10.082 -0.092 4.536 1.00 0.00 N ATOM 1346 CA ILE A 85 9.338 -1.029 5.360 1.00 0.00 C ATOM 1347 C ILE A 85 8.899 -0.331 6.649 1.00 0.00 C ATOM 1348 O ILE A 85 7.796 -0.565 7.141 1.00 0.00 O ATOM 1349 CB ILE A 85 10.154 -2.301 5.596 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.086 -3.230 4.383 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.715 -3.003 6.882 1.00 0.00 C ATOM 1352 CD1 ILE A 85 10.573 -4.636 4.741 1.00 0.00 C ATOM 0 H ILE A 85 11.023 -0.397 4.288 1.00 0.00 H new ATOM 0 HA ILE A 85 8.432 -1.351 4.847 1.00 0.00 H new ATOM 0 HB ILE A 85 11.199 -2.017 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.061 -3.279 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.696 -2.825 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.311 -3.904 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.859 -2.333 7.730 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.661 -3.273 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.514 -5.276 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.606 -4.587 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.946 -5.048 5.532 1.00 0.00 H new ATOM 1364 N ALA A 86 9.785 0.512 7.159 1.00 0.00 N ATOM 1365 CA ALA A 86 9.503 1.245 8.381 1.00 0.00 C ATOM 1366 C ALA A 86 8.499 2.360 8.081 1.00 0.00 C ATOM 1367 O ALA A 86 7.654 2.681 8.916 1.00 0.00 O ATOM 1368 CB ALA A 86 10.810 1.779 8.970 1.00 0.00 C ATOM 0 H ALA A 86 10.699 0.704 6.748 1.00 0.00 H new ATOM 0 HA ALA A 86 9.054 0.589 9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.598 2.329 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.476 0.945 9.193 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.288 2.444 8.251 1.00 0.00 H new ATOM 1374 N ASP A 87 8.626 2.921 6.888 1.00 0.00 N ATOM 1375 CA ASP A 87 7.741 3.994 6.468 1.00 0.00 C ATOM 1376 C ASP A 87 6.350 3.422 6.187 1.00 0.00 C ATOM 1377 O ASP A 87 5.348 4.124 6.313 1.00 0.00 O ATOM 1378 CB ASP A 87 8.248 4.656 5.185 1.00 0.00 C ATOM 1379 CG ASP A 87 8.545 6.152 5.303 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.630 6.975 5.456 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.794 6.467 5.230 1.00 0.00 O ATOM 0 H ASP A 87 9.328 2.653 6.199 1.00 0.00 H new ATOM 0 HA ASP A 87 7.707 4.735 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.156 4.145 4.865 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.506 4.509 4.400 1.00 0.00 H new ATOM 1387 N ILE A 88 6.333 2.152 5.810 1.00 0.00 N ATOM 1388 CA ILE A 88 5.081 1.477 5.510 1.00 0.00 C ATOM 1389 C ILE A 88 4.560 0.793 6.776 1.00 0.00 C ATOM 1390 O ILE A 88 3.444 1.065 7.217 1.00 0.00 O ATOM 1391 CB ILE A 88 5.257 0.525 4.325 1.00 0.00 C ATOM 1392 CG1 ILE A 88 4.019 0.537 3.425 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.606 -0.886 4.802 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.392 0.218 1.976 1.00 0.00 C ATOM 0 H ILE A 88 7.166 1.572 5.705 1.00 0.00 H new ATOM 0 HA ILE A 88 4.324 2.197 5.201 1.00 0.00 H new ATOM 0 HB ILE A 88 6.096 0.877 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.295 -0.193 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.539 1.514 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.726 -1.542 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.536 -0.859 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.805 -1.264 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.495 0.233 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.098 0.963 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.850 -0.770 1.927 1.00 0.00 H new ATOM 1406 N TYR A 89 5.391 -0.081 7.323 1.00 0.00 N ATOM 1407 CA TYR A 89 5.027 -0.805 8.529 1.00 0.00 C ATOM 1408 C TYR A 89 5.904 -2.047 8.708 1.00 0.00 C ATOM 1409 O TYR A 89 6.544 -2.501 7.762 1.00 0.00 O ATOM 1410 CB TYR A 89 3.575 -1.245 8.335 1.00 0.00 C ATOM 1411 CG TYR A 89 3.297 -1.892 6.977 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.941 -3.061 6.624 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.402 -1.307 6.104 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.679 -3.669 5.346 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.140 -1.916 4.826 1.00 0.00 C ATOM 1416 CZ TYR A 89 2.791 -3.067 4.510 1.00 0.00 C ATOM 1417 OH TYR A 89 2.544 -3.642 3.303 1.00 0.00 O ATOM 0 H TYR A 89 6.315 -0.304 6.954 1.00 0.00 H new ATOM 0 HA TYR A 89 5.159 -0.176 9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.312 -1.951 9.123 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.925 -0.378 8.453 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.641 -3.519 7.307 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.898 -0.392 6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.177 -4.583 5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.442 -1.469 4.134 1.00 0.00 H new ATOM 0 HH TYR A 89 1.799 -3.179 2.866 1.00 0.00 H new ATOM 1427 N PRO A 90 5.904 -2.574 9.962 1.00 0.00 N ATOM 1428 CA PRO A 90 6.692 -3.754 10.278 1.00 0.00 C ATOM 1429 C PRO A 90 6.040 -5.016 9.710 1.00 0.00 C ATOM 1430 O PRO A 90 6.288 -5.385 8.563 1.00 0.00 O ATOM 1431 CB PRO A 90 6.790 -3.767 11.794 1.00 0.00 C ATOM 1432 CG PRO A 90 5.672 -2.865 12.292 1.00 0.00 C ATOM 1433 CD PRO A 90 5.158 -2.063 11.108 1.00 0.00 C ATOM 0 HA PRO A 90 7.685 -3.730 9.829 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.678 -4.779 12.184 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.762 -3.403 12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.869 -3.458 12.729 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.038 -2.200 13.074 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.085 -2.198 10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.330 -0.996 11.248 1.00 0.00 H new ATOM 1441 N GLY A 91 5.218 -5.643 10.538 1.00 0.00 N ATOM 1442 CA GLY A 91 4.528 -6.856 10.133 1.00 0.00 C ATOM 1443 C GLY A 91 5.360 -7.648 9.122 1.00 0.00 C ATOM 1444 O GLY A 91 5.213 -7.467 7.915 1.00 0.00 O ATOM 0 H GLY A 91 5.014 -5.334 11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.327 -7.474 11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.563 -6.601 9.695 1.00 0.00 H new ATOM 1448 N GLN A 92 6.215 -8.509 9.653 1.00 0.00 N ATOM 1449 CA GLN A 92 7.071 -9.330 8.813 1.00 0.00 C ATOM 1450 C GLN A 92 6.510 -10.749 8.710 1.00 0.00 C ATOM 1451 O GLN A 92 7.253 -11.724 8.821 1.00 0.00 O ATOM 1452 CB GLN A 92 8.507 -9.344 9.340 1.00 0.00 C ATOM 1453 CG GLN A 92 9.337 -10.421 8.640 1.00 0.00 C ATOM 1454 CD GLN A 92 10.757 -9.924 8.360 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.990 -9.077 7.514 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.689 -10.496 9.116 1.00 0.00 N ATOM 0 H GLN A 92 6.334 -8.656 10.655 1.00 0.00 H new ATOM 0 HA GLN A 92 7.091 -8.895 7.814 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.965 -8.368 9.183 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.502 -9.525 10.415 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.377 -11.315 9.262 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.856 -10.705 7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.425 -11.199 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.668 -10.232 9.006 1.00 0.00 H new ATOM 1465 N THR A 93 5.204 -10.822 8.500 1.00 0.00 N ATOM 1466 CA THR A 93 4.535 -12.106 8.381 1.00 0.00 C ATOM 1467 C THR A 93 3.297 -11.983 7.490 1.00 0.00 C ATOM 1468 O THR A 93 2.692 -10.915 7.406 1.00 0.00 O ATOM 1469 CB THR A 93 4.220 -12.608 9.792 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.220 -11.710 10.264 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.388 -12.406 10.759 1.00 0.00 C ATOM 0 H THR A 93 4.591 -10.012 8.409 1.00 0.00 H new ATOM 0 HA THR A 93 5.176 -12.841 7.894 1.00 0.00 H new ATOM 0 HB THR A 93 3.961 -13.666 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 93 2.956 -11.963 11.173 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.112 -12.779 11.745 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.259 -12.951 10.396 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.626 -11.344 10.826 1.00 0.00 H new ATOM 1479 N GLN A 94 2.958 -13.090 6.846 1.00 0.00 N ATOM 1480 CA GLN A 94 1.804 -13.119 5.964 1.00 0.00 C ATOM 1481 C GLN A 94 0.678 -12.255 6.535 1.00 0.00 C ATOM 1482 O GLN A 94 0.515 -12.164 7.751 1.00 0.00 O ATOM 1483 CB GLN A 94 1.328 -14.554 5.730 1.00 0.00 C ATOM 1484 CG GLN A 94 2.204 -15.260 4.693 1.00 0.00 C ATOM 1485 CD GLN A 94 2.317 -16.755 4.996 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.979 -17.177 5.930 1.00 0.00 O ATOM 1487 NE2 GLN A 94 1.635 -17.530 4.157 1.00 0.00 N ATOM 0 H GLN A 94 3.462 -13.974 6.918 1.00 0.00 H new ATOM 0 HA GLN A 94 2.099 -12.707 4.999 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.353 -15.107 6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.292 -14.547 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.782 -15.118 3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.197 -14.811 4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.101 -17.111 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.646 -18.543 4.275 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.071 -11.641 5.631 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.177 -10.788 6.029 1.00 0.00 C ATOM 1498 C PHE A 95 -2.180 -10.620 4.885 1.00 0.00 C ATOM 1499 O PHE A 95 -2.002 -11.190 3.810 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.585 -9.421 6.377 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.084 -9.308 7.818 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -0.898 -9.656 8.850 1.00 0.00 C ATOM 1503 CD2 PHE A 95 1.176 -8.860 8.067 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -0.434 -9.551 10.188 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.641 -8.756 9.405 1.00 0.00 C ATOM 1506 CZ PHE A 95 0.826 -9.103 10.437 1.00 0.00 C ATOM 0 H PHE A 95 0.067 -11.718 4.623 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.703 -11.231 6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.242 -9.211 5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.341 -8.655 6.205 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.898 -10.012 8.652 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.823 -8.583 7.247 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.081 -9.827 11.007 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.642 -8.401 9.603 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.179 -9.023 11.454 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.212 -9.834 5.156 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.242 -9.583 4.163 1.00 0.00 C ATOM 1518 C TYR A 96 -3.748 -8.608 3.093 1.00 0.00 C ATOM 1519 O TYR A 96 -2.994 -7.683 3.392 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.409 -8.944 4.919 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.674 -9.804 4.954 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -7.537 -9.806 3.876 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -6.953 -10.577 6.062 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -8.727 -10.615 3.908 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.143 -11.386 6.095 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.972 -11.365 5.016 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.096 -12.130 5.047 1.00 0.00 O ATOM 0 H TYR A 96 -3.357 -9.363 6.049 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.525 -10.509 3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.095 -8.736 5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.646 -7.986 4.457 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.319 -9.200 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.278 -10.575 6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.410 -10.626 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.373 -11.996 6.956 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.140 -12.612 5.899 1.00 0.00 H new ATOM 1537 N VAL A 97 -4.192 -8.848 1.868 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.804 -8.003 0.752 1.00 0.00 C ATOM 1539 C VAL A 97 -5.053 -7.598 -0.034 1.00 0.00 C ATOM 1540 O VAL A 97 -5.887 -8.442 -0.358 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.762 -8.719 -0.109 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.481 -7.937 -1.394 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.473 -8.962 0.678 1.00 0.00 C ATOM 0 H VAL A 97 -4.817 -9.616 1.624 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.335 -7.087 1.112 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.170 -9.690 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.737 -8.468 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.402 -7.839 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.104 -6.946 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.749 -9.472 0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.060 -8.007 1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.690 -9.580 1.549 1.00 0.00 H new ATOM 1553 N ILE A 98 -5.142 -6.307 -0.316 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.275 -5.780 -1.058 1.00 0.00 C ATOM 1555 C ILE A 98 -5.767 -5.033 -2.293 1.00 0.00 C ATOM 1556 O ILE A 98 -4.932 -4.137 -2.182 1.00 0.00 O ATOM 1557 CB ILE A 98 -7.162 -4.929 -0.147 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.182 -5.489 1.277 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.571 -4.791 -0.728 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.648 -6.946 1.287 1.00 0.00 C ATOM 0 H ILE A 98 -4.448 -5.610 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.909 -6.592 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.736 -3.927 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.185 -5.419 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.845 -4.887 1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.181 -4.182 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.516 -4.314 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -9.021 -5.779 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.653 -7.319 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.654 -7.009 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.969 -7.549 0.684 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.294 -5.429 -3.443 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.905 -4.809 -4.697 1.00 0.00 C ATOM 1574 C GLU A 99 -6.896 -3.705 -5.074 1.00 0.00 C ATOM 1575 O GLU A 99 -8.041 -3.715 -4.624 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.794 -5.850 -5.813 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.696 -5.471 -6.809 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.500 -6.572 -7.854 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.271 -7.736 -7.492 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.595 -6.183 -9.080 1.00 0.00 O ATOM 0 H GLU A 99 -6.987 -6.172 -3.532 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.921 -4.358 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.578 -6.828 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.748 -5.934 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.957 -4.536 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.761 -5.299 -6.277 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.420 -2.781 -5.895 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.250 -1.673 -6.337 1.00 0.00 C ATOM 1590 C PHE A 100 -6.889 -1.252 -7.763 1.00 0.00 C ATOM 1591 O PHE A 100 -5.860 -1.667 -8.295 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.979 -0.504 -5.388 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.532 -0.007 -5.412 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -5.060 0.660 -6.499 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.718 -0.232 -4.345 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.717 1.122 -6.521 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.376 0.230 -4.367 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.903 0.897 -5.454 1.00 0.00 C ATOM 0 H PHE A 100 -5.470 -2.777 -6.266 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.299 -1.968 -6.329 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.641 0.322 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.231 -0.808 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.706 0.838 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.093 -0.762 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.342 1.652 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.730 0.052 -3.520 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.882 1.248 -5.470 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.755 -0.433 -8.341 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.539 0.049 -9.695 1.00 0.00 C ATOM 1610 C LYS A 101 -7.878 1.540 -9.760 1.00 0.00 C ATOM 1611 O LYS A 101 -8.861 1.984 -9.169 1.00 0.00 O ATOM 1612 CB LYS A 101 -8.320 -0.803 -10.697 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.247 0.065 -11.550 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.733 -0.699 -12.783 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.353 0.252 -13.809 1.00 0.00 C ATOM 1616 NZ LYS A 101 -9.490 0.356 -15.007 1.00 0.00 N ATOM 0 H LYS A 101 -8.607 -0.091 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.490 -0.053 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.625 -1.341 -11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.906 -1.552 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.103 0.383 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.721 0.968 -11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.898 -1.234 -13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.467 -1.447 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.341 -0.107 -14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.489 1.238 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.925 1.005 -15.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.555 0.720 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.382 -0.584 -15.440 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.044 2.272 -10.485 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.243 3.703 -10.636 1.00 0.00 C ATOM 1631 C CYS A 102 -8.068 3.943 -11.902 1.00 0.00 C ATOM 1632 O CYS A 102 -7.686 3.510 -12.987 1.00 0.00 O ATOM 1633 CB CYS A 102 -5.912 4.458 -10.670 1.00 0.00 C ATOM 1634 SG CYS A 102 -6.183 6.178 -11.235 1.00 0.00 S ATOM 0 H CYS A 102 -6.229 1.901 -10.974 1.00 0.00 H new ATOM 0 HA CYS A 102 -7.784 4.091 -9.773 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.460 4.459 -9.678 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.215 3.953 -11.338 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.048 6.811 -11.259 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.185 4.633 -11.719 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.067 4.936 -12.833 1.00 0.00 C ATOM 1642 C LEU A 103 -9.469 6.078 -13.656 1.00 0.00 C ATOM 1643 O LEU A 103 -9.185 7.149 -13.122 1.00 0.00 O ATOM 1644 CB LEU A 103 -11.486 5.215 -12.332 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.040 4.228 -11.304 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.045 4.911 -10.374 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -12.639 2.999 -11.991 1.00 0.00 C ATOM 0 H LEU A 103 -9.499 4.990 -10.817 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.152 4.076 -13.497 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.506 6.213 -11.895 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.157 5.229 -13.191 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.213 3.880 -10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.424 4.187 -9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.554 5.728 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.874 5.306 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.026 2.313 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.450 3.309 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.868 2.498 -12.576 1.00 0.00 H new