USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 595 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 84 CYS SG : rot -129:sc= 0.623 USER MOD Set 1.2: A 87 CYS SG : rot 137:sc= 0.68 USER MOD Set 1.3: A 105 CYS SG : rot -42:sc= -0.49 USER MOD Set 1.4: A 108 CYS SG : rot 147:sc= 0.295 USER MOD Set 2.1: A 80 THR OG1 : rot -53:sc= 0.541 USER MOD Set 2.2: A 83 THR OG1 : rot 100:sc= 0.63 USER MOD Set 3.1: A 8 ASN :FLIP amide:sc= 1.58 F(o=-0.38,f=2.1) USER MOD Set 3.2: A 11 SER OG : rot 155:sc= 0.542 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.09) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= -0.829 X(o=-0.83,f=-0.4) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= -0.0148 (180deg=-0.0851) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0.551 (180deg=0.54) USER MOD Single : A 101 TYR OH : rot 82:sc= 0.351 USER MOD Single : A 102 THR OG1 : rot -83:sc= 1.95 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ASN A 8 12.708 8.506 -10.575 1.00 0.00 N ATOM 97 CA ASN A 8 13.475 9.548 -9.871 1.00 0.00 C ATOM 98 C ASN A 8 12.521 10.632 -9.314 1.00 0.00 C ATOM 99 O ASN A 8 12.294 11.685 -9.930 1.00 0.00 O ATOM 100 CB ASN A 8 14.591 10.141 -10.805 1.00 0.00 C ATOM 101 CG ASN A 8 14.083 10.692 -12.154 1.00 0.00 C ATOM 102 OD1 ASN A 8 14.771 11.685 -12.704 1.00 0.00 O flip ATOM 103 ND2 ASN A 8 13.091 10.215 -12.706 1.00 0.00 N flip ATOM 0 HA ASN A 8 13.987 9.104 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.103 10.942 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.331 9.365 -11.001 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.579 9.452 -12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.782 10.583 -13.606 1.00 0.00 H new ATOM 110 N VAL A 9 11.926 10.323 -8.142 1.00 0.00 N ATOM 111 CA VAL A 9 10.971 11.215 -7.453 1.00 0.00 C ATOM 112 C VAL A 9 11.696 12.454 -6.897 1.00 0.00 C ATOM 113 O VAL A 9 11.089 13.511 -6.773 1.00 0.00 O ATOM 114 CB VAL A 9 10.210 10.483 -6.278 1.00 0.00 C ATOM 115 CG1 VAL A 9 9.138 11.392 -5.632 1.00 0.00 C ATOM 116 CG2 VAL A 9 9.576 9.158 -6.746 1.00 0.00 C ATOM 0 H VAL A 9 12.095 9.447 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 9 10.233 11.520 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 9 10.959 10.253 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.638 10.851 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.614 12.285 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.405 11.682 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.062 8.685 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.861 9.359 -7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.356 8.492 -7.116 1.00 0.00 H new ATOM 126 N GLU A 10 13.002 12.299 -6.588 1.00 0.00 N ATOM 127 CA GLU A 10 13.864 13.382 -6.054 1.00 0.00 C ATOM 128 C GLU A 10 13.815 14.641 -6.944 1.00 0.00 C ATOM 129 O GLU A 10 13.802 15.779 -6.447 1.00 0.00 O ATOM 130 CB GLU A 10 15.321 12.876 -5.926 1.00 0.00 C ATOM 131 CG GLU A 10 16.294 13.877 -5.268 1.00 0.00 C ATOM 132 CD GLU A 10 17.757 13.422 -5.321 1.00 0.00 C ATOM 133 OE1 GLU A 10 18.166 12.590 -4.489 1.00 0.00 O ATOM 134 OE2 GLU A 10 18.519 13.899 -6.193 1.00 0.00 O ATOM 0 H GLU A 10 13.494 11.413 -6.702 1.00 0.00 H new ATOM 0 HA GLU A 10 13.485 13.659 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.322 11.954 -5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.694 12.627 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.203 14.843 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.004 14.025 -4.228 1.00 0.00 H new ATOM 141 N SER A 11 13.772 14.398 -8.265 1.00 0.00 N ATOM 142 CA SER A 11 13.634 15.442 -9.288 1.00 0.00 C ATOM 143 C SER A 11 12.318 16.224 -9.103 1.00 0.00 C ATOM 144 O SER A 11 12.291 17.460 -9.181 1.00 0.00 O ATOM 145 CB SER A 11 13.671 14.784 -10.683 1.00 0.00 C ATOM 146 OG SER A 11 14.813 13.957 -10.823 1.00 0.00 O ATOM 0 H SER A 11 13.833 13.457 -8.655 1.00 0.00 H new ATOM 0 HA SER A 11 14.458 16.148 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.768 14.192 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.679 15.555 -11.453 1.00 0.00 H new ATOM 0 HG SER A 11 14.635 13.265 -11.493 1.00 0.00 H new ATOM 152 N TYR A 12 11.234 15.472 -8.836 1.00 0.00 N ATOM 153 CA TYR A 12 9.897 16.039 -8.622 1.00 0.00 C ATOM 154 C TYR A 12 9.814 16.763 -7.258 1.00 0.00 C ATOM 155 O TYR A 12 9.135 17.768 -7.156 1.00 0.00 O ATOM 156 CB TYR A 12 8.800 14.943 -8.750 1.00 0.00 C ATOM 157 CG TYR A 12 8.760 14.256 -10.131 1.00 0.00 C ATOM 158 CD1 TYR A 12 8.806 15.007 -11.313 1.00 0.00 C ATOM 159 CD2 TYR A 12 8.674 12.864 -10.259 1.00 0.00 C ATOM 160 CE1 TYR A 12 8.772 14.396 -12.549 1.00 0.00 C ATOM 161 CE2 TYR A 12 8.637 12.258 -11.498 1.00 0.00 C ATOM 162 CZ TYR A 12 8.689 13.025 -12.636 1.00 0.00 C ATOM 163 OH TYR A 12 8.657 12.416 -13.873 1.00 0.00 O ATOM 0 H TYR A 12 11.264 14.455 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 12 9.716 16.780 -9.401 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.965 14.186 -7.983 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.827 15.392 -8.550 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.869 16.084 -11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 12 8.636 12.252 -9.370 1.00 0.00 H new ATOM 0 HE1 TYR A 12 8.810 14.993 -13.448 1.00 0.00 H new ATOM 0 HE2 TYR A 12 8.567 11.183 -11.573 1.00 0.00 H new ATOM 0 HH TYR A 12 8.599 11.445 -13.758 1.00 0.00 H new ATOM 173 N GLU A 13 10.555 16.269 -6.239 1.00 0.00 N ATOM 174 CA GLU A 13 10.566 16.866 -4.872 1.00 0.00 C ATOM 175 C GLU A 13 11.031 18.325 -4.919 1.00 0.00 C ATOM 176 O GLU A 13 10.328 19.243 -4.469 1.00 0.00 O ATOM 177 CB GLU A 13 11.510 16.082 -3.912 1.00 0.00 C ATOM 178 CG GLU A 13 11.129 14.616 -3.684 1.00 0.00 C ATOM 179 CD GLU A 13 11.940 13.928 -2.572 1.00 0.00 C ATOM 180 OE1 GLU A 13 11.654 14.179 -1.382 1.00 0.00 O ATOM 181 OE2 GLU A 13 12.848 13.126 -2.876 1.00 0.00 O ATOM 0 H GLU A 13 11.159 15.453 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 13 9.544 16.811 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.523 16.120 -4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.528 16.591 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.069 14.560 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.267 14.066 -4.615 1.00 0.00 H new ATOM 188 N LYS A 14 12.232 18.505 -5.484 1.00 0.00 N ATOM 189 CA LYS A 14 12.894 19.808 -5.551 1.00 0.00 C ATOM 190 C LYS A 14 12.120 20.778 -6.464 1.00 0.00 C ATOM 191 O LYS A 14 11.881 21.919 -6.067 1.00 0.00 O ATOM 192 CB LYS A 14 14.374 19.642 -6.010 1.00 0.00 C ATOM 193 CG LYS A 14 14.562 18.942 -7.375 1.00 0.00 C ATOM 194 CD LYS A 14 16.046 18.717 -7.747 1.00 0.00 C ATOM 195 CE LYS A 14 16.832 20.031 -7.898 1.00 0.00 C ATOM 196 NZ LYS A 14 18.274 19.789 -8.187 1.00 0.00 N ATOM 0 H LYS A 14 12.770 17.749 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 14 12.900 20.244 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.836 20.628 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.912 19.074 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.049 17.980 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.087 19.541 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.518 18.103 -6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.100 18.158 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.396 20.624 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.739 20.616 -6.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.767 20.700 -8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.698 19.245 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.365 19.253 -9.073 1.00 0.00 H new ATOM 210 N ILE A 15 11.672 20.295 -7.654 1.00 0.00 N ATOM 211 CA ILE A 15 11.013 21.156 -8.667 1.00 0.00 C ATOM 212 C ILE A 15 9.642 21.650 -8.151 1.00 0.00 C ATOM 213 O ILE A 15 9.225 22.769 -8.454 1.00 0.00 O ATOM 214 CB ILE A 15 10.876 20.437 -10.081 1.00 0.00 C ATOM 215 CG1 ILE A 15 10.728 21.483 -11.240 1.00 0.00 C ATOM 216 CG2 ILE A 15 9.698 19.423 -10.115 1.00 0.00 C ATOM 217 CD1 ILE A 15 10.710 20.887 -12.648 1.00 0.00 C ATOM 0 H ILE A 15 11.756 19.317 -7.932 1.00 0.00 H new ATOM 0 HA ILE A 15 11.656 22.022 -8.823 1.00 0.00 H new ATOM 0 HB ILE A 15 11.798 19.876 -10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.806 22.044 -11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.550 22.196 -11.174 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.646 18.959 -11.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.858 18.654 -9.359 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.763 19.944 -9.910 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.604 21.687 -13.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.642 20.351 -12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.871 20.197 -12.741 1.00 0.00 H new ATOM 229 N LEU A 16 8.970 20.803 -7.341 1.00 0.00 N ATOM 230 CA LEU A 16 7.703 21.158 -6.680 1.00 0.00 C ATOM 231 C LEU A 16 7.920 22.287 -5.668 1.00 0.00 C ATOM 232 O LEU A 16 7.148 23.246 -5.637 1.00 0.00 O ATOM 233 CB LEU A 16 7.070 19.922 -5.977 1.00 0.00 C ATOM 234 CG LEU A 16 6.306 18.926 -6.899 1.00 0.00 C ATOM 235 CD1 LEU A 16 5.817 17.685 -6.112 1.00 0.00 C ATOM 236 CD2 LEU A 16 5.147 19.634 -7.623 1.00 0.00 C ATOM 0 H LEU A 16 9.292 19.858 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 16 7.013 21.504 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.862 19.376 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.381 20.278 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 16 7.002 18.567 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.288 17.012 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.674 17.167 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.145 18.002 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.627 18.920 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.451 20.037 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.541 20.447 -8.233 1.00 0.00 H new ATOM 248 N ARG A 17 8.975 22.156 -4.849 1.00 0.00 N ATOM 249 CA ARG A 17 9.310 23.169 -3.839 1.00 0.00 C ATOM 250 C ARG A 17 9.679 24.502 -4.505 1.00 0.00 C ATOM 251 O ARG A 17 9.233 25.545 -4.064 1.00 0.00 O ATOM 252 CB ARG A 17 10.442 22.691 -2.902 1.00 0.00 C ATOM 253 CG ARG A 17 10.053 21.475 -2.035 1.00 0.00 C ATOM 254 CD ARG A 17 11.088 21.147 -0.950 1.00 0.00 C ATOM 255 NE ARG A 17 12.406 20.824 -1.521 1.00 0.00 N ATOM 256 CZ ARG A 17 13.016 19.626 -1.451 1.00 0.00 C ATOM 257 NH1 ARG A 17 12.421 18.584 -0.891 1.00 0.00 N ATOM 258 NH2 ARG A 17 14.224 19.482 -1.959 1.00 0.00 N ATOM 0 H ARG A 17 9.610 21.358 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 17 8.423 23.324 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.315 22.435 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.734 23.514 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.090 21.668 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.924 20.605 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.185 21.996 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.735 20.304 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 17 12.898 21.571 -2.011 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.483 18.680 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.901 17.685 -0.848 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.689 20.275 -2.401 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.693 18.578 -1.910 1.00 0.00 H new ATOM 272 N ASP A 18 10.456 24.435 -5.598 1.00 0.00 N ATOM 273 CA ASP A 18 10.860 25.623 -6.382 1.00 0.00 C ATOM 274 C ASP A 18 9.629 26.348 -6.974 1.00 0.00 C ATOM 275 O ASP A 18 9.590 27.585 -7.039 1.00 0.00 O ATOM 276 CB ASP A 18 11.836 25.217 -7.522 1.00 0.00 C ATOM 277 CG ASP A 18 13.221 24.747 -7.020 1.00 0.00 C ATOM 278 OD1 ASP A 18 13.820 25.449 -6.177 1.00 0.00 O ATOM 279 OD2 ASP A 18 13.721 23.693 -7.475 1.00 0.00 O ATOM 0 H ASP A 18 10.824 23.558 -5.967 1.00 0.00 H new ATOM 0 HA ASP A 18 11.369 26.310 -5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.382 24.418 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.972 26.067 -8.191 1.00 0.00 H new ATOM 284 N ARG A 19 8.622 25.553 -7.377 1.00 0.00 N ATOM 285 CA ARG A 19 7.385 26.068 -7.994 1.00 0.00 C ATOM 286 C ARG A 19 6.383 26.579 -6.949 1.00 0.00 C ATOM 287 O ARG A 19 5.597 27.481 -7.247 1.00 0.00 O ATOM 288 CB ARG A 19 6.749 25.008 -8.948 1.00 0.00 C ATOM 289 CG ARG A 19 7.191 25.155 -10.423 1.00 0.00 C ATOM 290 CD ARG A 19 8.714 25.059 -10.618 1.00 0.00 C ATOM 291 NE ARG A 19 9.124 25.420 -11.986 1.00 0.00 N ATOM 292 CZ ARG A 19 9.068 24.616 -13.061 1.00 0.00 C ATOM 293 NH1 ARG A 19 8.537 23.398 -12.982 1.00 0.00 N ATOM 294 NH2 ARG A 19 9.519 25.049 -14.228 1.00 0.00 N ATOM 0 H ARG A 19 8.642 24.537 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 19 7.660 26.931 -8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 19 7.013 24.011 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.663 25.088 -8.893 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.707 24.381 -11.018 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.843 26.115 -10.805 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.212 25.717 -9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.043 24.044 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 19 9.482 26.364 -12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.164 23.061 -12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.503 22.802 -13.809 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.907 25.989 -14.308 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.479 24.443 -15.047 1.00 0.00 H new ATOM 308 N GLN A 20 6.404 26.017 -5.733 1.00 0.00 N ATOM 309 CA GLN A 20 5.576 26.540 -4.630 1.00 0.00 C ATOM 310 C GLN A 20 6.238 27.800 -4.049 1.00 0.00 C ATOM 311 O GLN A 20 5.549 28.625 -3.500 1.00 0.00 O ATOM 312 CB GLN A 20 5.298 25.478 -3.515 1.00 0.00 C ATOM 313 CG GLN A 20 6.426 25.254 -2.490 1.00 0.00 C ATOM 314 CD GLN A 20 6.132 24.186 -1.422 1.00 0.00 C ATOM 315 OE1 GLN A 20 7.051 23.532 -0.927 1.00 0.00 O ATOM 316 NE2 GLN A 20 4.860 24.005 -1.052 1.00 0.00 N ATOM 0 H GLN A 20 6.977 25.210 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 20 4.600 26.796 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.399 25.776 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.079 24.525 -3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.332 24.971 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.634 26.199 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.120 24.562 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.629 23.310 -0.342 1.00 0.00 H new ATOM 325 N ARG A 21 7.581 27.936 -4.196 1.00 0.00 N ATOM 326 CA ARG A 21 8.328 29.141 -3.748 1.00 0.00 C ATOM 327 C ARG A 21 7.930 30.367 -4.587 1.00 0.00 C ATOM 328 O ARG A 21 7.607 31.426 -4.031 1.00 0.00 O ATOM 329 CB ARG A 21 9.871 28.912 -3.823 1.00 0.00 C ATOM 330 CG ARG A 21 10.431 27.989 -2.720 1.00 0.00 C ATOM 331 CD ARG A 21 11.874 27.532 -2.988 1.00 0.00 C ATOM 332 NE ARG A 21 12.343 26.598 -1.943 1.00 0.00 N ATOM 333 CZ ARG A 21 13.111 25.515 -2.148 1.00 0.00 C ATOM 334 NH1 ARG A 21 13.489 25.162 -3.372 1.00 0.00 N ATOM 335 NH2 ARG A 21 13.504 24.786 -1.118 1.00 0.00 N ATOM 0 H ARG A 21 8.171 27.222 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 21 8.064 29.327 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.116 28.486 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.373 29.878 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.394 28.512 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.790 27.112 -2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.930 27.048 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.532 28.400 -3.025 1.00 0.00 H new ATOM 0 HE ARG A 21 12.059 26.793 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.196 25.717 -4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.072 24.336 -3.507 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.224 25.047 -0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.087 23.963 -1.269 1.00 0.00 H new ATOM 349 N GLU A 22 7.948 30.203 -5.931 1.00 0.00 N ATOM 350 CA GLU A 22 7.562 31.275 -6.873 1.00 0.00 C ATOM 351 C GLU A 22 6.064 31.617 -6.733 1.00 0.00 C ATOM 352 O GLU A 22 5.687 32.790 -6.811 1.00 0.00 O ATOM 353 CB GLU A 22 7.926 30.902 -8.340 1.00 0.00 C ATOM 354 CG GLU A 22 7.273 29.618 -8.869 1.00 0.00 C ATOM 355 CD GLU A 22 7.745 29.211 -10.277 1.00 0.00 C ATOM 356 OE1 GLU A 22 8.867 28.669 -10.413 1.00 0.00 O ATOM 357 OE2 GLU A 22 7.001 29.426 -11.258 1.00 0.00 O ATOM 0 H GLU A 22 8.227 29.334 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 22 8.133 32.167 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.641 31.730 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.008 30.797 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.484 28.803 -8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.191 29.752 -8.884 1.00 0.00 H new ATOM 364 N LEU A 23 5.221 30.588 -6.499 1.00 0.00 N ATOM 365 CA LEU A 23 3.782 30.788 -6.247 1.00 0.00 C ATOM 366 C LEU A 23 3.547 31.494 -4.899 1.00 0.00 C ATOM 367 O LEU A 23 2.787 32.449 -4.852 1.00 0.00 O ATOM 368 CB LEU A 23 2.991 29.456 -6.307 1.00 0.00 C ATOM 369 CG LEU A 23 2.760 28.840 -7.721 1.00 0.00 C ATOM 370 CD1 LEU A 23 2.013 27.489 -7.617 1.00 0.00 C ATOM 371 CD2 LEU A 23 2.007 29.826 -8.651 1.00 0.00 C ATOM 0 H LEU A 23 5.515 29.611 -6.480 1.00 0.00 H new ATOM 0 HA LEU A 23 3.407 31.430 -7.044 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.517 28.721 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.018 29.617 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 23 3.737 28.652 -8.166 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.863 27.078 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.603 26.792 -7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.045 27.644 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.862 29.366 -9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.037 30.067 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.592 30.739 -8.763 1.00 0.00 H new ATOM 383 N TYR A 24 4.235 31.036 -3.826 1.00 0.00 N ATOM 384 CA TYR A 24 4.067 31.589 -2.454 1.00 0.00 C ATOM 385 C TYR A 24 4.376 33.094 -2.450 1.00 0.00 C ATOM 386 O TYR A 24 3.565 33.879 -1.988 1.00 0.00 O ATOM 387 CB TYR A 24 4.960 30.848 -1.387 1.00 0.00 C ATOM 388 CG TYR A 24 4.268 29.704 -0.604 1.00 0.00 C ATOM 389 CD1 TYR A 24 3.142 29.955 0.187 1.00 0.00 C ATOM 390 CD2 TYR A 24 4.751 28.387 -0.637 1.00 0.00 C ATOM 391 CE1 TYR A 24 2.530 28.936 0.907 1.00 0.00 C ATOM 392 CE2 TYR A 24 4.137 27.373 0.074 1.00 0.00 C ATOM 393 CZ TYR A 24 3.031 27.650 0.844 1.00 0.00 C ATOM 394 OH TYR A 24 2.429 26.636 1.557 1.00 0.00 O ATOM 0 H TYR A 24 4.917 30.280 -3.882 1.00 0.00 H new ATOM 0 HA TYR A 24 3.028 31.426 -2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.834 30.439 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.323 31.585 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.742 30.957 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.623 28.160 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.663 29.149 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.524 26.366 0.025 1.00 0.00 H new ATOM 0 HH TYR A 24 2.908 25.796 1.399 1.00 0.00 H new ATOM 404 N ARG A 25 5.535 33.471 -3.014 1.00 0.00 N ATOM 405 CA ARG A 25 5.986 34.880 -3.060 1.00 0.00 C ATOM 406 C ARG A 25 5.095 35.722 -4.007 1.00 0.00 C ATOM 407 O ARG A 25 4.952 36.932 -3.816 1.00 0.00 O ATOM 408 CB ARG A 25 7.477 34.974 -3.484 1.00 0.00 C ATOM 409 CG ARG A 25 7.752 34.652 -4.964 1.00 0.00 C ATOM 410 CD ARG A 25 9.232 34.792 -5.334 1.00 0.00 C ATOM 411 NE ARG A 25 9.454 34.675 -6.787 1.00 0.00 N ATOM 412 CZ ARG A 25 10.417 35.320 -7.477 1.00 0.00 C ATOM 413 NH1 ARG A 25 11.247 36.167 -6.869 1.00 0.00 N ATOM 414 NH2 ARG A 25 10.530 35.129 -8.784 1.00 0.00 N ATOM 0 H ARG A 25 6.185 32.816 -3.449 1.00 0.00 H new ATOM 0 HA ARG A 25 5.891 35.290 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.837 35.981 -3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.059 34.292 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.423 33.635 -5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.160 35.317 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.602 35.757 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.809 34.025 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 25 8.832 34.059 -7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.160 36.336 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.970 36.646 -7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.890 34.496 -9.264 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.257 35.615 -9.309 1.00 0.00 H new ATOM 428 N ARG A 26 4.507 35.061 -5.030 1.00 0.00 N ATOM 429 CA ARG A 26 3.561 35.701 -5.965 1.00 0.00 C ATOM 430 C ARG A 26 2.309 36.179 -5.216 1.00 0.00 C ATOM 431 O ARG A 26 1.997 37.368 -5.205 1.00 0.00 O ATOM 432 CB ARG A 26 3.171 34.709 -7.097 1.00 0.00 C ATOM 433 CG ARG A 26 2.016 35.178 -8.016 1.00 0.00 C ATOM 434 CD ARG A 26 1.656 34.150 -9.101 1.00 0.00 C ATOM 435 NE ARG A 26 2.752 33.960 -10.064 1.00 0.00 N ATOM 436 CZ ARG A 26 2.642 34.055 -11.401 1.00 0.00 C ATOM 437 NH1 ARG A 26 1.471 34.320 -11.974 1.00 0.00 N ATOM 438 NH2 ARG A 26 3.708 33.870 -12.157 1.00 0.00 N ATOM 0 H ARG A 26 4.675 34.075 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 26 4.046 36.568 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.051 34.521 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.890 33.758 -6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.134 35.380 -7.408 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.297 36.117 -8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.416 33.196 -8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.761 34.479 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 26 3.673 33.737 -9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.640 34.454 -11.398 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.404 34.389 -12.989 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.608 33.657 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.632 33.940 -13.172 1.00 0.00 H new ATOM 452 N LEU A 27 1.612 35.233 -4.566 1.00 0.00 N ATOM 453 CA LEU A 27 0.350 35.515 -3.858 1.00 0.00 C ATOM 454 C LEU A 27 0.595 36.119 -2.458 1.00 0.00 C ATOM 455 O LEU A 27 -0.342 36.570 -1.810 1.00 0.00 O ATOM 456 CB LEU A 27 -0.568 34.244 -3.842 1.00 0.00 C ATOM 457 CG LEU A 27 0.079 32.849 -3.525 1.00 0.00 C ATOM 458 CD1 LEU A 27 0.510 32.682 -2.054 1.00 0.00 C ATOM 459 CD2 LEU A 27 -0.839 31.689 -3.961 1.00 0.00 C ATOM 0 H LEU A 27 1.904 34.257 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.191 36.285 -4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.357 34.416 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.048 34.171 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 27 0.995 32.814 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.948 31.694 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.247 33.445 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.360 32.789 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.360 30.738 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.789 31.757 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.018 31.750 -5.034 1.00 0.00 H new ATOM 471 N HIS A 28 1.870 36.137 -2.021 1.00 0.00 N ATOM 472 CA HIS A 28 2.320 36.845 -0.803 1.00 0.00 C ATOM 473 C HIS A 28 3.213 38.011 -1.252 1.00 0.00 C ATOM 474 O HIS A 28 4.351 38.163 -0.801 1.00 0.00 O ATOM 475 CB HIS A 28 3.080 35.911 0.195 1.00 0.00 C ATOM 476 CG HIS A 28 2.234 35.020 1.063 1.00 0.00 C ATOM 477 ND1 HIS A 28 2.705 34.467 2.234 1.00 0.00 N ATOM 478 CD2 HIS A 28 0.958 34.588 0.941 1.00 0.00 C ATOM 479 CE1 HIS A 28 1.765 33.736 2.788 1.00 0.00 C ATOM 480 NE2 HIS A 28 0.692 33.788 2.019 1.00 0.00 N ATOM 0 H HIS A 28 2.626 35.655 -2.508 1.00 0.00 H new ATOM 0 HA HIS A 28 1.448 37.207 -0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.760 35.281 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.695 36.535 0.844 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.275 34.830 0.140 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.854 33.187 3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -0.191 33.310 2.199 1.00 0.00 H new ATOM 932 N LEU A 58 -4.462 36.074 -2.051 1.00 0.00 N ATOM 933 CA LEU A 58 -4.020 35.026 -2.992 1.00 0.00 C ATOM 934 C LEU A 58 -4.931 34.928 -4.233 1.00 0.00 C ATOM 935 O LEU A 58 -6.078 35.373 -4.202 1.00 0.00 O ATOM 936 CB LEU A 58 -3.979 33.643 -2.273 1.00 0.00 C ATOM 937 CG LEU A 58 -3.470 33.583 -0.791 1.00 0.00 C ATOM 938 CD1 LEU A 58 -3.163 32.133 -0.350 1.00 0.00 C ATOM 939 CD2 LEU A 58 -2.263 34.496 -0.537 1.00 0.00 C ATOM 0 HA LEU A 58 -3.022 35.304 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.987 33.229 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.350 32.980 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.289 33.960 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.813 32.133 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.068 31.530 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.391 31.712 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.956 34.412 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.438 34.197 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.536 35.529 -0.752 1.00 0.00 H new ATOM 951 N GLY A 59 -4.404 34.307 -5.309 1.00 0.00 N ATOM 952 CA GLY A 59 -5.189 34.017 -6.527 1.00 0.00 C ATOM 953 C GLY A 59 -5.718 32.582 -6.545 1.00 0.00 C ATOM 954 O GLY A 59 -5.184 31.731 -5.836 1.00 0.00 O ATOM 0 H GLY A 59 -3.434 33.996 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.026 34.712 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.567 34.184 -7.406 1.00 0.00 H new ATOM 958 N GLN A 60 -6.739 32.311 -7.387 1.00 0.00 N ATOM 959 CA GLN A 60 -7.451 31.010 -7.409 1.00 0.00 C ATOM 960 C GLN A 60 -6.519 29.854 -7.848 1.00 0.00 C ATOM 961 O GLN A 60 -6.214 28.960 -7.048 1.00 0.00 O ATOM 962 CB GLN A 60 -8.684 31.085 -8.349 1.00 0.00 C ATOM 963 CG GLN A 60 -9.695 32.205 -8.012 1.00 0.00 C ATOM 964 CD GLN A 60 -10.926 32.224 -8.931 1.00 0.00 C ATOM 965 OE1 GLN A 60 -10.858 31.832 -10.096 1.00 0.00 O ATOM 966 NE2 GLN A 60 -12.053 32.707 -8.429 1.00 0.00 N ATOM 0 H GLN A 60 -7.093 32.983 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.785 30.802 -6.393 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.334 31.227 -9.372 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.203 30.127 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.025 32.086 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.190 33.169 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.085 33.026 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.889 32.760 -9.011 1.00 0.00 H new ATOM 975 N VAL A 61 -6.041 29.920 -9.113 1.00 0.00 N ATOM 976 CA VAL A 61 -5.095 28.932 -9.694 1.00 0.00 C ATOM 977 C VAL A 61 -3.792 28.880 -8.877 1.00 0.00 C ATOM 978 O VAL A 61 -3.152 27.831 -8.784 1.00 0.00 O ATOM 979 CB VAL A 61 -4.793 29.260 -11.213 1.00 0.00 C ATOM 980 CG1 VAL A 61 -4.148 30.663 -11.392 1.00 0.00 C ATOM 981 CG2 VAL A 61 -3.933 28.151 -11.881 1.00 0.00 C ATOM 0 H VAL A 61 -6.300 30.662 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.565 27.950 -9.650 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.755 29.282 -11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.959 30.844 -12.450 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.825 31.426 -11.009 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.207 30.704 -10.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.747 28.413 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.983 28.061 -11.355 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.465 27.201 -11.835 1.00 0.00 H new ATOM 991 N GLY A 62 -3.439 30.027 -8.262 1.00 0.00 N ATOM 992 CA GLY A 62 -2.283 30.114 -7.385 1.00 0.00 C ATOM 993 C GLY A 62 -2.397 29.179 -6.191 1.00 0.00 C ATOM 994 O GLY A 62 -1.506 28.375 -5.967 1.00 0.00 O ATOM 0 H GLY A 62 -3.950 30.904 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.382 29.872 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.173 31.139 -7.032 1.00 0.00 H new ATOM 998 N GLN A 63 -3.538 29.260 -5.470 1.00 0.00 N ATOM 999 CA GLN A 63 -3.795 28.466 -4.242 1.00 0.00 C ATOM 1000 C GLN A 63 -3.992 26.981 -4.550 1.00 0.00 C ATOM 1001 O GLN A 63 -3.531 26.125 -3.801 1.00 0.00 O ATOM 1002 CB GLN A 63 -5.061 28.970 -3.514 1.00 0.00 C ATOM 1003 CG GLN A 63 -4.950 30.378 -2.950 1.00 0.00 C ATOM 1004 CD GLN A 63 -6.217 30.849 -2.235 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -7.100 31.459 -2.840 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -6.314 30.564 -0.943 1.00 0.00 N ATOM 0 H GLN A 63 -4.309 29.878 -5.722 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.916 28.591 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.901 28.936 -4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.293 28.284 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.113 30.417 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.722 31.069 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.563 30.057 -0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.140 30.852 -0.418 1.00 0.00 H new ATOM 1015 N ASP A 64 -4.716 26.707 -5.640 1.00 0.00 N ATOM 1016 CA ASP A 64 -5.103 25.336 -6.037 1.00 0.00 C ATOM 1017 C ASP A 64 -3.876 24.539 -6.438 1.00 0.00 C ATOM 1018 O ASP A 64 -3.716 23.380 -6.039 1.00 0.00 O ATOM 1019 CB ASP A 64 -6.143 25.342 -7.192 1.00 0.00 C ATOM 1020 CG ASP A 64 -7.546 25.770 -6.724 1.00 0.00 C ATOM 1021 OD1 ASP A 64 -8.115 25.086 -5.841 1.00 0.00 O ATOM 1022 OD2 ASP A 64 -8.089 26.769 -7.231 1.00 0.00 O ATOM 0 H ASP A 64 -5.054 27.427 -6.278 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.572 24.863 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.804 26.018 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.199 24.346 -7.631 1.00 0.00 H new ATOM 1027 N GLU A 65 -3.004 25.183 -7.220 1.00 0.00 N ATOM 1028 CA GLU A 65 -1.745 24.577 -7.646 1.00 0.00 C ATOM 1029 C GLU A 65 -0.779 24.459 -6.451 1.00 0.00 C ATOM 1030 O GLU A 65 -0.090 23.459 -6.319 1.00 0.00 O ATOM 1031 CB GLU A 65 -1.116 25.396 -8.792 1.00 0.00 C ATOM 1032 CG GLU A 65 0.043 24.686 -9.513 1.00 0.00 C ATOM 1033 CD GLU A 65 0.537 25.415 -10.775 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -0.152 25.340 -11.821 1.00 0.00 O ATOM 1035 OE2 GLU A 65 1.609 26.058 -10.738 1.00 0.00 O ATOM 0 H GLU A 65 -3.151 26.129 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.944 23.573 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.891 25.634 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.754 26.343 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.877 24.577 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.276 23.681 -9.788 1.00 0.00 H new ATOM 1042 N LEU A 66 -0.787 25.489 -5.586 1.00 0.00 N ATOM 1043 CA LEU A 66 0.039 25.566 -4.354 1.00 0.00 C ATOM 1044 C LEU A 66 -0.250 24.376 -3.415 1.00 0.00 C ATOM 1045 O LEU A 66 0.664 23.733 -2.884 1.00 0.00 O ATOM 1046 CB LEU A 66 -0.309 26.885 -3.613 1.00 0.00 C ATOM 1047 CG LEU A 66 0.709 27.440 -2.580 1.00 0.00 C ATOM 1048 CD1 LEU A 66 2.039 27.810 -3.255 1.00 0.00 C ATOM 1049 CD2 LEU A 66 0.103 28.651 -1.833 1.00 0.00 C ATOM 0 H LEU A 66 -1.377 26.310 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 66 1.092 25.537 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.472 27.656 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.258 26.736 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 66 0.922 26.658 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.732 28.196 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.468 26.924 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.862 28.573 -4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.825 29.032 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.142 29.435 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.802 28.341 -1.311 1.00 0.00 H new ATOM 1061 N ARG A 67 -1.557 24.124 -3.239 1.00 0.00 N ATOM 1062 CA ARG A 67 -2.096 23.115 -2.315 1.00 0.00 C ATOM 1063 C ARG A 67 -1.915 21.708 -2.908 1.00 0.00 C ATOM 1064 O ARG A 67 -1.729 20.741 -2.169 1.00 0.00 O ATOM 1065 CB ARG A 67 -3.594 23.424 -2.035 1.00 0.00 C ATOM 1066 CG ARG A 67 -4.220 22.679 -0.836 1.00 0.00 C ATOM 1067 CD ARG A 67 -5.684 23.089 -0.603 1.00 0.00 C ATOM 1068 NE ARG A 67 -6.246 22.512 0.630 1.00 0.00 N ATOM 1069 CZ ARG A 67 -7.415 21.859 0.732 1.00 0.00 C ATOM 1070 NH1 ARG A 67 -8.162 21.604 -0.340 1.00 0.00 N ATOM 1071 NH2 ARG A 67 -7.826 21.458 1.921 1.00 0.00 N ATOM 0 H ARG A 67 -2.284 24.628 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.553 23.149 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.700 24.496 -1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.169 23.183 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.168 21.604 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.638 22.885 0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.749 24.176 -0.553 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.286 22.772 -1.455 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.698 22.618 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.850 21.906 -1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.047 21.106 -0.239 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.258 21.645 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.712 20.961 2.013 1.00 0.00 H new ATOM 1085 N ALA A 68 -1.972 21.627 -4.257 1.00 0.00 N ATOM 1086 CA ALA A 68 -1.706 20.388 -5.012 1.00 0.00 C ATOM 1087 C ALA A 68 -0.221 19.995 -4.908 1.00 0.00 C ATOM 1088 O ALA A 68 0.101 18.811 -4.779 1.00 0.00 O ATOM 1089 CB ALA A 68 -2.119 20.560 -6.484 1.00 0.00 C ATOM 0 H ALA A 68 -2.205 22.423 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.301 19.585 -4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.917 19.638 -7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.183 20.788 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.550 21.376 -6.929 1.00 0.00 H new ATOM 1095 N ILE A 69 0.668 21.011 -4.959 1.00 0.00 N ATOM 1096 CA ILE A 69 2.121 20.832 -4.778 1.00 0.00 C ATOM 1097 C ILE A 69 2.403 20.319 -3.359 1.00 0.00 C ATOM 1098 O ILE A 69 3.135 19.352 -3.177 1.00 0.00 O ATOM 1099 CB ILE A 69 2.920 22.177 -5.036 1.00 0.00 C ATOM 1100 CG1 ILE A 69 2.873 22.591 -6.545 1.00 0.00 C ATOM 1101 CG2 ILE A 69 4.381 22.073 -4.549 1.00 0.00 C ATOM 1102 CD1 ILE A 69 3.498 23.941 -6.882 1.00 0.00 C ATOM 0 H ILE A 69 0.395 21.979 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 69 2.463 20.102 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 69 2.426 22.956 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.378 21.822 -7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.832 22.603 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.897 23.013 -4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.394 21.866 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.885 21.266 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.410 24.126 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.981 24.728 -6.334 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.551 23.935 -6.601 1.00 0.00 H new ATOM 1114 N ASP A 70 1.778 20.979 -2.377 1.00 0.00 N ATOM 1115 CA ASP A 70 1.933 20.654 -0.950 1.00 0.00 C ATOM 1116 C ASP A 70 1.406 19.231 -0.650 1.00 0.00 C ATOM 1117 O ASP A 70 1.986 18.502 0.164 1.00 0.00 O ATOM 1118 CB ASP A 70 1.186 21.717 -0.103 1.00 0.00 C ATOM 1119 CG ASP A 70 1.439 21.581 1.409 1.00 0.00 C ATOM 1120 OD1 ASP A 70 2.542 21.960 1.860 1.00 0.00 O ATOM 1121 OD2 ASP A 70 0.549 21.095 2.146 1.00 0.00 O ATOM 0 H ASP A 70 1.145 21.760 -2.549 1.00 0.00 H new ATOM 0 HA ASP A 70 2.991 20.670 -0.688 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.494 22.711 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.116 21.636 -0.294 1.00 0.00 H new ATOM 1126 N ALA A 71 0.329 18.848 -1.356 1.00 0.00 N ATOM 1127 CA ALA A 71 -0.293 17.515 -1.244 1.00 0.00 C ATOM 1128 C ALA A 71 0.613 16.433 -1.850 1.00 0.00 C ATOM 1129 O ALA A 71 0.743 15.341 -1.296 1.00 0.00 O ATOM 1130 CB ALA A 71 -1.661 17.512 -1.938 1.00 0.00 C ATOM 0 H ALA A 71 -0.139 19.458 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.430 17.289 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.112 16.523 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.310 18.250 -1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.535 17.760 -2.992 1.00 0.00 H new ATOM 1136 N ALA A 72 1.244 16.770 -2.987 1.00 0.00 N ATOM 1137 CA ALA A 72 2.146 15.866 -3.716 1.00 0.00 C ATOM 1138 C ALA A 72 3.430 15.609 -2.908 1.00 0.00 C ATOM 1139 O ALA A 72 3.871 14.469 -2.804 1.00 0.00 O ATOM 1140 CB ALA A 72 2.469 16.444 -5.097 1.00 0.00 C ATOM 0 H ALA A 72 1.141 17.684 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 72 1.645 14.908 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.138 15.766 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.547 16.564 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.953 17.414 -4.981 1.00 0.00 H new ATOM 1146 N LEU A 73 3.985 16.687 -2.319 1.00 0.00 N ATOM 1147 CA LEU A 73 5.170 16.635 -1.427 1.00 0.00 C ATOM 1148 C LEU A 73 4.889 15.779 -0.179 1.00 0.00 C ATOM 1149 O LEU A 73 5.754 15.022 0.282 1.00 0.00 O ATOM 1150 CB LEU A 73 5.585 18.073 -1.011 1.00 0.00 C ATOM 1151 CG LEU A 73 6.203 18.953 -2.142 1.00 0.00 C ATOM 1152 CD1 LEU A 73 6.357 20.419 -1.692 1.00 0.00 C ATOM 1153 CD2 LEU A 73 7.555 18.370 -2.623 1.00 0.00 C ATOM 0 H LEU A 73 3.622 17.631 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 73 5.990 16.170 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.707 18.585 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.306 18.002 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 73 5.514 18.940 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.790 21.005 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.379 20.825 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.011 20.466 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.964 19.002 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.254 18.334 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.400 17.363 -3.010 1.00 0.00 H new ATOM 1165 N ALA A 74 3.657 15.916 0.344 1.00 0.00 N ATOM 1166 CA ALA A 74 3.163 15.121 1.479 1.00 0.00 C ATOM 1167 C ALA A 74 3.071 13.624 1.097 1.00 0.00 C ATOM 1168 O ALA A 74 3.366 12.752 1.915 1.00 0.00 O ATOM 1169 CB ALA A 74 1.796 15.656 1.945 1.00 0.00 C ATOM 0 H ALA A 74 2.974 16.585 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 74 3.868 15.213 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.439 15.060 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.899 16.696 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.081 15.591 1.125 1.00 0.00 H new ATOM 1175 N ARG A 75 2.672 13.353 -0.169 1.00 0.00 N ATOM 1176 CA ARG A 75 2.595 11.981 -0.730 1.00 0.00 C ATOM 1177 C ARG A 75 3.992 11.379 -0.939 1.00 0.00 C ATOM 1178 O ARG A 75 4.140 10.168 -0.875 1.00 0.00 O ATOM 1179 CB ARG A 75 1.807 11.962 -2.072 1.00 0.00 C ATOM 1180 CG ARG A 75 0.304 12.239 -1.925 1.00 0.00 C ATOM 1181 CD ARG A 75 -0.423 12.366 -3.276 1.00 0.00 C ATOM 1182 NE ARG A 75 -1.835 12.731 -3.077 1.00 0.00 N ATOM 1183 CZ ARG A 75 -2.400 13.907 -3.409 1.00 0.00 C ATOM 1184 NH1 ARG A 75 -1.713 14.846 -4.063 1.00 0.00 N ATOM 1185 NH2 ARG A 75 -3.662 14.138 -3.082 1.00 0.00 N ATOM 0 H ARG A 75 2.394 14.078 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 75 2.061 11.371 -0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.238 12.705 -2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.941 10.989 -2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.153 11.435 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.164 13.158 -1.356 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.069 13.120 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.359 11.423 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.440 12.030 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.740 14.680 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.161 15.730 -4.305 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.198 13.428 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.099 15.026 -3.329 1.00 0.00 H new ATOM 1199 N ILE A 76 5.007 12.222 -1.192 1.00 0.00 N ATOM 1200 CA ILE A 76 6.401 11.745 -1.352 1.00 0.00 C ATOM 1201 C ILE A 76 6.942 11.274 0.009 1.00 0.00 C ATOM 1202 O ILE A 76 7.544 10.200 0.112 1.00 0.00 O ATOM 1203 CB ILE A 76 7.353 12.843 -1.951 1.00 0.00 C ATOM 1204 CG1 ILE A 76 6.774 13.382 -3.296 1.00 0.00 C ATOM 1205 CG2 ILE A 76 8.779 12.269 -2.148 1.00 0.00 C ATOM 1206 CD1 ILE A 76 7.455 14.604 -3.890 1.00 0.00 C ATOM 0 H ILE A 76 4.895 13.231 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 76 6.382 10.917 -2.061 1.00 0.00 H new ATOM 0 HB ILE A 76 7.418 13.676 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.815 12.578 -4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.721 13.620 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.428 13.040 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.175 11.941 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.739 11.422 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.961 14.879 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.391 15.434 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.502 14.376 -4.089 1.00 0.00 H new ATOM 1218 N ALA A 77 6.679 12.091 1.048 1.00 0.00 N ATOM 1219 CA ALA A 77 7.049 11.776 2.441 1.00 0.00 C ATOM 1220 C ALA A 77 6.245 10.567 2.974 1.00 0.00 C ATOM 1221 O ALA A 77 6.712 9.843 3.859 1.00 0.00 O ATOM 1222 CB ALA A 77 6.845 13.015 3.331 1.00 0.00 C ATOM 0 H ALA A 77 6.204 12.988 0.945 1.00 0.00 H new ATOM 0 HA ALA A 77 8.103 11.500 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.120 12.775 4.358 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.471 13.830 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.799 13.319 3.297 1.00 0.00 H new ATOM 1228 N SER A 78 5.035 10.371 2.416 1.00 0.00 N ATOM 1229 CA SER A 78 4.172 9.213 2.717 1.00 0.00 C ATOM 1230 C SER A 78 4.567 7.992 1.849 1.00 0.00 C ATOM 1231 O SER A 78 4.205 6.860 2.170 1.00 0.00 O ATOM 1232 CB SER A 78 2.688 9.601 2.488 1.00 0.00 C ATOM 1233 OG SER A 78 1.795 8.537 2.799 1.00 0.00 O ATOM 0 H SER A 78 4.626 11.016 1.739 1.00 0.00 H new ATOM 0 HA SER A 78 4.306 8.930 3.761 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.443 10.468 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.549 9.896 1.448 1.00 0.00 H new ATOM 0 HG SER A 78 0.872 8.828 2.641 1.00 0.00 H new ATOM 1239 N GLY A 79 5.306 8.244 0.750 1.00 0.00 N ATOM 1240 CA GLY A 79 5.760 7.191 -0.171 1.00 0.00 C ATOM 1241 C GLY A 79 4.709 6.771 -1.200 1.00 0.00 C ATOM 1242 O GLY A 79 4.917 5.808 -1.936 1.00 0.00 O ATOM 0 H GLY A 79 5.603 9.182 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.649 7.540 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.055 6.317 0.409 1.00 0.00 H new ATOM 1246 N THR A 80 3.585 7.505 -1.254 1.00 0.00 N ATOM 1247 CA THR A 80 2.458 7.232 -2.170 1.00 0.00 C ATOM 1248 C THR A 80 2.326 8.369 -3.220 1.00 0.00 C ATOM 1249 O THR A 80 1.225 8.700 -3.692 1.00 0.00 O ATOM 1250 CB THR A 80 1.132 7.028 -1.354 1.00 0.00 C ATOM 1251 OG1 THR A 80 0.051 6.668 -2.232 1.00 0.00 O ATOM 1252 CG2 THR A 80 0.740 8.274 -0.539 1.00 0.00 C ATOM 0 H THR A 80 3.429 8.316 -0.656 1.00 0.00 H new ATOM 0 HA THR A 80 2.654 6.308 -2.714 1.00 0.00 H new ATOM 0 HB THR A 80 1.322 6.219 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.013 7.323 -2.958 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.184 8.077 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.535 8.511 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.591 9.118 -1.213 1.00 0.00 H new ATOM 1260 N PHE A 81 3.472 8.976 -3.581 1.00 0.00 N ATOM 1261 CA PHE A 81 3.547 9.925 -4.705 1.00 0.00 C ATOM 1262 C PHE A 81 3.233 9.219 -6.035 1.00 0.00 C ATOM 1263 O PHE A 81 3.592 8.051 -6.233 1.00 0.00 O ATOM 1264 CB PHE A 81 4.938 10.601 -4.780 1.00 0.00 C ATOM 1265 CG PHE A 81 5.074 11.612 -5.939 1.00 0.00 C ATOM 1266 CD1 PHE A 81 4.429 12.850 -5.882 1.00 0.00 C ATOM 1267 CD2 PHE A 81 5.812 11.310 -7.088 1.00 0.00 C ATOM 1268 CE1 PHE A 81 4.525 13.749 -6.927 1.00 0.00 C ATOM 1269 CE2 PHE A 81 5.898 12.210 -8.135 1.00 0.00 C ATOM 1270 CZ PHE A 81 5.259 13.430 -8.052 1.00 0.00 C ATOM 0 H PHE A 81 4.362 8.824 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 81 2.800 10.699 -4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.135 11.113 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.701 9.831 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.847 13.108 -5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.322 10.361 -7.159 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.024 14.704 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.466 11.957 -9.018 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.333 14.135 -8.867 1.00 0.00 H new ATOM 1280 N GLY A 82 2.600 9.972 -6.949 1.00 0.00 N ATOM 1281 CA GLY A 82 2.188 9.454 -8.242 1.00 0.00 C ATOM 1282 C GLY A 82 0.999 8.528 -8.127 1.00 0.00 C ATOM 1283 O GLY A 82 0.904 7.532 -8.838 1.00 0.00 O ATOM 0 H GLY A 82 2.365 10.954 -6.803 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.939 10.284 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.020 8.920 -8.701 1.00 0.00 H new ATOM 1287 N THR A 83 0.081 8.863 -7.217 1.00 0.00 N ATOM 1288 CA THR A 83 -1.153 8.107 -7.006 1.00 0.00 C ATOM 1289 C THR A 83 -2.366 9.027 -7.218 1.00 0.00 C ATOM 1290 O THR A 83 -2.534 10.027 -6.501 1.00 0.00 O ATOM 1291 CB THR A 83 -1.195 7.485 -5.573 1.00 0.00 C ATOM 1292 OG1 THR A 83 -0.012 6.703 -5.357 1.00 0.00 O ATOM 1293 CG2 THR A 83 -2.441 6.601 -5.346 1.00 0.00 C ATOM 0 H THR A 83 0.175 9.672 -6.603 1.00 0.00 H new ATOM 0 HA THR A 83 -1.185 7.291 -7.728 1.00 0.00 H new ATOM 0 HB THR A 83 -1.246 8.310 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.634 7.224 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.419 6.195 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.342 7.201 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.443 5.783 -6.066 1.00 0.00 H new ATOM 1301 N CYS A 84 -3.182 8.709 -8.244 1.00 0.00 N ATOM 1302 CA CYS A 84 -4.494 9.334 -8.440 1.00 0.00 C ATOM 1303 C CYS A 84 -5.414 8.899 -7.305 1.00 0.00 C ATOM 1304 O CYS A 84 -5.892 7.768 -7.312 1.00 0.00 O ATOM 1305 CB CYS A 84 -5.136 8.951 -9.798 1.00 0.00 C ATOM 1306 SG CYS A 84 -6.730 9.804 -10.079 1.00 0.00 S ATOM 0 H CYS A 84 -2.946 8.015 -8.953 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.355 10.415 -8.442 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.447 9.198 -10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.293 7.873 -9.832 1.00 0.00 H new ATOM 0 HG CYS A 84 -7.635 8.933 -10.415 1.00 0.00 H new ATOM 1311 N VAL A 85 -5.614 9.796 -6.330 1.00 0.00 N ATOM 1312 CA VAL A 85 -6.434 9.536 -5.130 1.00 0.00 C ATOM 1313 C VAL A 85 -7.918 9.278 -5.488 1.00 0.00 C ATOM 1314 O VAL A 85 -8.603 8.502 -4.816 1.00 0.00 O ATOM 1315 CB VAL A 85 -6.305 10.719 -4.097 1.00 0.00 C ATOM 1316 CG1 VAL A 85 -4.835 10.881 -3.641 1.00 0.00 C ATOM 1317 CG2 VAL A 85 -6.868 12.057 -4.660 1.00 0.00 C ATOM 0 H VAL A 85 -5.209 10.732 -6.348 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.050 8.628 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.913 10.463 -3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.764 11.702 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.497 9.959 -3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.207 11.096 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.757 12.842 -3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.318 12.333 -5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.923 11.934 -4.903 1.00 0.00 H new ATOM 1327 N LYS A 86 -8.376 9.910 -6.594 1.00 0.00 N ATOM 1328 CA LYS A 86 -9.750 9.745 -7.123 1.00 0.00 C ATOM 1329 C LYS A 86 -9.933 8.359 -7.809 1.00 0.00 C ATOM 1330 O LYS A 86 -11.052 7.928 -8.079 1.00 0.00 O ATOM 1331 CB LYS A 86 -10.079 10.920 -8.093 1.00 0.00 C ATOM 1332 CG LYS A 86 -11.568 11.026 -8.513 1.00 0.00 C ATOM 1333 CD LYS A 86 -11.890 12.302 -9.334 1.00 0.00 C ATOM 1334 CE LYS A 86 -11.683 13.604 -8.548 1.00 0.00 C ATOM 1335 NZ LYS A 86 -12.457 13.644 -7.277 1.00 0.00 N ATOM 0 H LYS A 86 -7.803 10.549 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.455 9.774 -6.292 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.783 11.856 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.471 10.811 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.835 10.148 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.191 11.012 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.261 12.320 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.924 12.253 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.623 13.723 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.975 14.449 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.359 14.583 -6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.461 13.457 -7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.093 12.920 -6.626 1.00 0.00 H new ATOM 1349 N CYS A 87 -8.809 7.670 -8.075 1.00 0.00 N ATOM 1350 CA CYS A 87 -8.797 6.290 -8.627 1.00 0.00 C ATOM 1351 C CYS A 87 -8.286 5.272 -7.592 1.00 0.00 C ATOM 1352 O CYS A 87 -8.592 4.082 -7.687 1.00 0.00 O ATOM 1353 CB CYS A 87 -7.905 6.227 -9.887 1.00 0.00 C ATOM 1354 SG CYS A 87 -8.635 6.970 -11.368 1.00 0.00 S ATOM 0 H CYS A 87 -7.876 8.050 -7.915 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.824 6.032 -8.887 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.961 6.728 -9.673 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.671 5.184 -10.098 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.738 7.683 -11.983 1.00 0.00 H new ATOM 1359 N GLY A 88 -7.506 5.755 -6.608 1.00 0.00 N ATOM 1360 CA GLY A 88 -6.706 4.886 -5.737 1.00 0.00 C ATOM 1361 C GLY A 88 -5.606 4.125 -6.495 1.00 0.00 C ATOM 1362 O GLY A 88 -5.109 3.110 -6.012 1.00 0.00 O ATOM 0 H GLY A 88 -7.415 6.749 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.249 5.489 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.364 4.169 -5.245 1.00 0.00 H new ATOM 1366 N LYS A 89 -5.222 4.638 -7.689 1.00 0.00 N ATOM 1367 CA LYS A 89 -4.297 3.953 -8.628 1.00 0.00 C ATOM 1368 C LYS A 89 -3.128 4.885 -9.011 1.00 0.00 C ATOM 1369 O LYS A 89 -3.067 6.013 -8.550 1.00 0.00 O ATOM 1370 CB LYS A 89 -5.046 3.516 -9.919 1.00 0.00 C ATOM 1371 CG LYS A 89 -6.253 2.570 -9.712 1.00 0.00 C ATOM 1372 CD LYS A 89 -6.803 2.009 -11.049 1.00 0.00 C ATOM 1373 CE LYS A 89 -7.211 3.108 -12.046 1.00 0.00 C ATOM 1374 NZ LYS A 89 -7.632 2.539 -13.350 1.00 0.00 N ATOM 0 H LYS A 89 -5.546 5.543 -8.030 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.906 3.069 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.395 4.411 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.333 3.024 -10.581 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.955 1.742 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.047 3.107 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.045 1.374 -11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.666 1.376 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.027 3.696 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.374 3.789 -12.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.899 3.310 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.845 1.999 -13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.447 1.909 -13.207 1.00 0.00 H new ATOM 1388 N ARG A 90 -2.245 4.396 -9.900 1.00 0.00 N ATOM 1389 CA ARG A 90 -1.038 5.112 -10.368 1.00 0.00 C ATOM 1390 C ARG A 90 -1.400 6.278 -11.334 1.00 0.00 C ATOM 1391 O ARG A 90 -2.457 6.268 -11.985 1.00 0.00 O ATOM 1392 CB ARG A 90 -0.095 4.076 -11.061 1.00 0.00 C ATOM 1393 CG ARG A 90 1.244 4.618 -11.620 1.00 0.00 C ATOM 1394 CD ARG A 90 2.183 5.198 -10.544 1.00 0.00 C ATOM 1395 NE ARG A 90 2.578 4.204 -9.533 1.00 0.00 N ATOM 1396 CZ ARG A 90 2.906 4.471 -8.256 1.00 0.00 C ATOM 1397 NH1 ARG A 90 2.820 5.707 -7.768 1.00 0.00 N ATOM 1398 NH2 ARG A 90 3.303 3.491 -7.461 1.00 0.00 N ATOM 0 H ARG A 90 -2.350 3.474 -10.323 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.531 5.565 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.131 3.288 -10.343 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.643 3.613 -11.881 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.760 3.813 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.031 5.392 -12.358 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.077 5.595 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.689 6.035 -10.050 1.00 0.00 H new ATOM 0 HE ARG A 90 2.605 3.227 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.501 6.470 -8.365 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.073 5.891 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.360 2.537 -7.817 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.553 3.690 -6.492 1.00 0.00 H new ATOM 1412 N ILE A 91 -0.526 7.301 -11.361 1.00 0.00 N ATOM 1413 CA ILE A 91 -0.551 8.412 -12.337 1.00 0.00 C ATOM 1414 C ILE A 91 0.364 8.062 -13.540 1.00 0.00 C ATOM 1415 O ILE A 91 1.368 7.357 -13.366 1.00 0.00 O ATOM 1416 CB ILE A 91 -0.030 9.756 -11.674 1.00 0.00 C ATOM 1417 CG1 ILE A 91 -0.906 10.201 -10.466 1.00 0.00 C ATOM 1418 CG2 ILE A 91 0.060 10.907 -12.697 1.00 0.00 C ATOM 1419 CD1 ILE A 91 -2.246 10.790 -10.836 1.00 0.00 C ATOM 0 H ILE A 91 0.237 7.382 -10.689 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.579 8.555 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 91 0.972 9.534 -11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.070 9.340 -9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.350 10.936 -9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.421 11.808 -12.200 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.750 10.632 -13.495 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.927 11.096 -13.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.783 11.070 -9.930 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.096 11.674 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.827 10.052 -11.389 1.00 0.00 H new ATOM 1431 N SER A 92 0.024 8.572 -14.742 1.00 0.00 N ATOM 1432 CA SER A 92 0.864 8.415 -15.950 1.00 0.00 C ATOM 1433 C SER A 92 2.215 9.147 -15.762 1.00 0.00 C ATOM 1434 O SER A 92 2.259 10.206 -15.123 1.00 0.00 O ATOM 1435 CB SER A 92 0.128 8.971 -17.197 1.00 0.00 C ATOM 1436 OG SER A 92 -1.145 8.368 -17.348 1.00 0.00 O ATOM 0 H SER A 92 -0.833 9.100 -14.903 1.00 0.00 H new ATOM 0 HA SER A 92 1.056 7.353 -16.102 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.014 10.051 -17.104 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.728 8.789 -18.089 1.00 0.00 H new ATOM 0 HG SER A 92 -1.590 8.736 -18.140 1.00 0.00 H new ATOM 1442 N GLU A 93 3.300 8.581 -16.325 1.00 0.00 N ATOM 1443 CA GLU A 93 4.655 9.172 -16.250 1.00 0.00 C ATOM 1444 C GLU A 93 4.670 10.587 -16.858 1.00 0.00 C ATOM 1445 O GLU A 93 5.272 11.509 -16.299 1.00 0.00 O ATOM 1446 CB GLU A 93 5.677 8.276 -16.996 1.00 0.00 C ATOM 1447 CG GLU A 93 7.125 8.810 -16.973 1.00 0.00 C ATOM 1448 CD GLU A 93 8.090 7.998 -17.847 1.00 0.00 C ATOM 1449 OE1 GLU A 93 8.197 8.295 -19.056 1.00 0.00 O ATOM 1450 OE2 GLU A 93 8.734 7.055 -17.338 1.00 0.00 O ATOM 0 H GLU A 93 3.265 7.704 -16.844 1.00 0.00 H new ATOM 0 HA GLU A 93 4.935 9.238 -15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 93 5.662 7.281 -16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.359 8.167 -18.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.127 9.847 -17.310 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.488 8.808 -15.945 1.00 0.00 H new ATOM 1457 N ASP A 94 3.987 10.727 -18.006 1.00 0.00 N ATOM 1458 CA ASP A 94 3.888 11.998 -18.745 1.00 0.00 C ATOM 1459 C ASP A 94 3.063 13.035 -17.984 1.00 0.00 C ATOM 1460 O ASP A 94 3.349 14.233 -18.052 1.00 0.00 O ATOM 1461 CB ASP A 94 3.323 11.765 -20.160 1.00 0.00 C ATOM 1462 CG ASP A 94 4.309 10.972 -21.021 1.00 0.00 C ATOM 1463 OD1 ASP A 94 5.243 11.584 -21.583 1.00 0.00 O ATOM 1464 OD2 ASP A 94 4.191 9.733 -21.105 1.00 0.00 O ATOM 0 H ASP A 94 3.485 9.958 -18.450 1.00 0.00 H new ATOM 0 HA ASP A 94 4.896 12.401 -18.843 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.378 11.226 -20.094 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.111 12.724 -20.633 1.00 0.00 H new ATOM 1469 N ARG A 95 2.059 12.555 -17.246 1.00 0.00 N ATOM 1470 CA ARG A 95 1.254 13.398 -16.351 1.00 0.00 C ATOM 1471 C ARG A 95 2.112 13.883 -15.158 1.00 0.00 C ATOM 1472 O ARG A 95 1.885 14.969 -14.666 1.00 0.00 O ATOM 1473 CB ARG A 95 0.009 12.622 -15.847 1.00 0.00 C ATOM 1474 CG ARG A 95 -0.925 13.413 -14.893 1.00 0.00 C ATOM 1475 CD ARG A 95 -1.873 14.387 -15.601 1.00 0.00 C ATOM 1476 NE ARG A 95 -2.701 15.135 -14.640 1.00 0.00 N ATOM 1477 CZ ARG A 95 -3.407 16.243 -14.922 1.00 0.00 C ATOM 1478 NH1 ARG A 95 -3.398 16.779 -16.137 1.00 0.00 N ATOM 1479 NH2 ARG A 95 -4.119 16.819 -13.973 1.00 0.00 N ATOM 0 H ARG A 95 1.780 11.574 -17.250 1.00 0.00 H new ATOM 0 HA ARG A 95 0.911 14.269 -16.909 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.571 12.299 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.346 11.721 -15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.517 12.705 -14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.313 13.971 -14.184 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.293 15.086 -16.204 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.518 13.835 -16.285 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.742 14.784 -13.683 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.847 16.349 -16.880 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.942 17.621 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -4.131 16.423 -13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.658 17.660 -14.179 1.00 0.00 H new ATOM 1493 N LEU A 96 3.098 13.071 -14.707 1.00 0.00 N ATOM 1494 CA LEU A 96 3.985 13.453 -13.573 1.00 0.00 C ATOM 1495 C LEU A 96 5.117 14.403 -14.014 1.00 0.00 C ATOM 1496 O LEU A 96 5.502 15.295 -13.269 1.00 0.00 O ATOM 1497 CB LEU A 96 4.602 12.206 -12.872 1.00 0.00 C ATOM 1498 CG LEU A 96 3.588 11.289 -12.134 1.00 0.00 C ATOM 1499 CD1 LEU A 96 4.229 9.964 -11.672 1.00 0.00 C ATOM 1500 CD2 LEU A 96 2.932 12.045 -10.948 1.00 0.00 C ATOM 0 H LEU A 96 3.301 12.154 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 96 3.348 13.978 -12.861 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.126 11.612 -13.620 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.349 12.546 -12.154 1.00 0.00 H new ATOM 0 HG LEU A 96 2.807 11.025 -12.847 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.482 9.357 -11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.607 9.421 -12.538 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.052 10.176 -10.989 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.225 11.387 -10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.703 12.357 -10.244 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.406 12.923 -11.323 1.00 0.00 H new ATOM 1512 N LYS A 97 5.660 14.189 -15.222 1.00 0.00 N ATOM 1513 CA LYS A 97 6.792 15.001 -15.736 1.00 0.00 C ATOM 1514 C LYS A 97 6.289 16.392 -16.177 1.00 0.00 C ATOM 1515 O LYS A 97 7.031 17.379 -16.130 1.00 0.00 O ATOM 1516 CB LYS A 97 7.525 14.254 -16.894 1.00 0.00 C ATOM 1517 CG LYS A 97 6.767 14.228 -18.242 1.00 0.00 C ATOM 1518 CD LYS A 97 7.478 13.409 -19.345 1.00 0.00 C ATOM 1519 CE LYS A 97 7.668 11.931 -18.969 1.00 0.00 C ATOM 1520 NZ LYS A 97 8.198 11.131 -20.101 1.00 0.00 N ATOM 0 H LYS A 97 5.340 13.465 -15.865 1.00 0.00 H new ATOM 0 HA LYS A 97 7.518 15.147 -14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.496 14.723 -17.050 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.713 13.227 -16.581 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.772 13.814 -18.080 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.633 15.251 -18.592 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.899 13.472 -20.266 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.452 13.854 -19.549 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.351 11.858 -18.123 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.714 11.514 -18.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.247 10.129 -19.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.569 11.234 -20.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.150 11.469 -20.349 1.00 0.00 H new ATOM 1534 N ALA A 98 5.010 16.444 -16.599 1.00 0.00 N ATOM 1535 CA ALA A 98 4.343 17.681 -17.033 1.00 0.00 C ATOM 1536 C ALA A 98 3.628 18.370 -15.861 1.00 0.00 C ATOM 1537 O ALA A 98 3.656 19.597 -15.740 1.00 0.00 O ATOM 1538 CB ALA A 98 3.347 17.372 -18.159 1.00 0.00 C ATOM 0 H ALA A 98 4.409 15.621 -16.647 1.00 0.00 H new ATOM 0 HA ALA A 98 5.105 18.365 -17.407 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.857 18.293 -18.475 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.878 16.935 -19.005 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.597 16.668 -17.798 1.00 0.00 H new ATOM 1544 N VAL A 99 2.964 17.566 -15.010 1.00 0.00 N ATOM 1545 CA VAL A 99 2.139 18.061 -13.880 1.00 0.00 C ATOM 1546 C VAL A 99 2.514 17.253 -12.599 1.00 0.00 C ATOM 1547 O VAL A 99 1.776 16.346 -12.197 1.00 0.00 O ATOM 1548 CB VAL A 99 0.580 17.910 -14.185 1.00 0.00 C ATOM 1549 CG1 VAL A 99 -0.281 18.758 -13.237 1.00 0.00 C ATOM 1550 CG2 VAL A 99 0.224 18.211 -15.662 1.00 0.00 C ATOM 0 H VAL A 99 2.982 16.549 -15.083 1.00 0.00 H new ATOM 0 HA VAL A 99 2.342 19.122 -13.733 1.00 0.00 H new ATOM 0 HB VAL A 99 0.347 16.861 -14.004 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.334 18.623 -13.483 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.106 18.445 -12.208 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.015 19.809 -13.346 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.849 18.092 -15.809 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.512 19.234 -15.905 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.758 17.519 -16.313 1.00 0.00 H new ATOM 1560 N PRO A 100 3.687 17.536 -11.944 1.00 0.00 N ATOM 1561 CA PRO A 100 4.182 16.722 -10.788 1.00 0.00 C ATOM 1562 C PRO A 100 3.407 16.956 -9.474 1.00 0.00 C ATOM 1563 O PRO A 100 3.733 16.359 -8.451 1.00 0.00 O ATOM 1564 CB PRO A 100 5.664 17.167 -10.663 1.00 0.00 C ATOM 1565 CG PRO A 100 5.676 18.576 -11.176 1.00 0.00 C ATOM 1566 CD PRO A 100 4.632 18.638 -12.276 1.00 0.00 C ATOM 0 HA PRO A 100 4.049 15.654 -10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.008 17.118 -9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.322 16.525 -11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.443 19.282 -10.379 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.661 18.842 -11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.127 19.604 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.080 18.496 -13.259 1.00 0.00 H new ATOM 1574 N TYR A 101 2.391 17.823 -9.510 1.00 0.00 N ATOM 1575 CA TYR A 101 1.598 18.199 -8.320 1.00 0.00 C ATOM 1576 C TYR A 101 0.187 17.610 -8.344 1.00 0.00 C ATOM 1577 O TYR A 101 -0.529 17.703 -7.344 1.00 0.00 O ATOM 1578 CB TYR A 101 1.536 19.741 -8.189 1.00 0.00 C ATOM 1579 CG TYR A 101 1.176 20.499 -9.480 1.00 0.00 C ATOM 1580 CD1 TYR A 101 -0.153 20.727 -9.852 1.00 0.00 C ATOM 1581 CD2 TYR A 101 2.177 20.982 -10.330 1.00 0.00 C ATOM 1582 CE1 TYR A 101 -0.461 21.414 -11.014 1.00 0.00 C ATOM 1583 CE2 TYR A 101 1.868 21.661 -11.488 1.00 0.00 C ATOM 1584 CZ TYR A 101 0.553 21.878 -11.829 1.00 0.00 C ATOM 1585 OH TYR A 101 0.250 22.570 -12.986 1.00 0.00 O ATOM 0 H TYR A 101 2.089 18.290 -10.365 1.00 0.00 H new ATOM 0 HA TYR A 101 2.102 17.778 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.804 19.995 -7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.503 20.098 -7.836 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -0.951 20.361 -9.223 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.213 20.819 -10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.493 21.587 -11.283 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.659 22.023 -12.129 1.00 0.00 H new ATOM 0 HH TYR A 101 0.071 23.509 -12.768 1.00 0.00 H new ATOM 1595 N THR A 102 -0.207 17.005 -9.474 1.00 0.00 N ATOM 1596 CA THR A 102 -1.593 16.576 -9.691 1.00 0.00 C ATOM 1597 C THR A 102 -2.018 15.436 -8.705 1.00 0.00 C ATOM 1598 O THR A 102 -1.344 14.405 -8.603 1.00 0.00 O ATOM 1599 CB THR A 102 -1.822 16.153 -11.178 1.00 0.00 C ATOM 1600 OG1 THR A 102 -3.212 15.942 -11.419 1.00 0.00 O ATOM 1601 CG2 THR A 102 -1.019 14.898 -11.582 1.00 0.00 C ATOM 0 H THR A 102 0.419 16.802 -10.253 1.00 0.00 H new ATOM 0 HA THR A 102 -2.232 17.433 -9.480 1.00 0.00 H new ATOM 0 HB THR A 102 -1.457 16.973 -11.797 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.459 15.037 -11.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.222 14.657 -12.625 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.046 15.091 -11.455 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.314 14.059 -10.952 1.00 0.00 H new ATOM 1609 N PRO A 103 -3.119 15.649 -7.906 1.00 0.00 N ATOM 1610 CA PRO A 103 -3.722 14.576 -7.078 1.00 0.00 C ATOM 1611 C PRO A 103 -4.561 13.595 -7.923 1.00 0.00 C ATOM 1612 O PRO A 103 -4.860 12.474 -7.488 1.00 0.00 O ATOM 1613 CB PRO A 103 -4.606 15.367 -6.079 1.00 0.00 C ATOM 1614 CG PRO A 103 -4.995 16.613 -6.813 1.00 0.00 C ATOM 1615 CD PRO A 103 -3.816 16.957 -7.701 1.00 0.00 C ATOM 0 HA PRO A 103 -2.977 13.947 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.484 14.791 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.058 15.601 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.896 16.452 -7.405 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.211 17.425 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -4.142 17.387 -8.648 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.160 17.688 -7.228 1.00 0.00 H new ATOM 1623 N PHE A 104 -4.954 14.046 -9.129 1.00 0.00 N ATOM 1624 CA PHE A 104 -5.827 13.289 -10.044 1.00 0.00 C ATOM 1625 C PHE A 104 -5.038 12.885 -11.300 1.00 0.00 C ATOM 1626 O PHE A 104 -3.974 13.421 -11.577 1.00 0.00 O ATOM 1627 CB PHE A 104 -7.074 14.136 -10.440 1.00 0.00 C ATOM 1628 CG PHE A 104 -7.745 14.880 -9.283 1.00 0.00 C ATOM 1629 CD1 PHE A 104 -8.028 14.236 -8.077 1.00 0.00 C ATOM 1630 CD2 PHE A 104 -8.065 16.231 -9.401 1.00 0.00 C ATOM 1631 CE1 PHE A 104 -8.611 14.923 -7.030 1.00 0.00 C ATOM 1632 CE2 PHE A 104 -8.648 16.917 -8.354 1.00 0.00 C ATOM 1633 CZ PHE A 104 -8.923 16.264 -7.170 1.00 0.00 C ATOM 0 H PHE A 104 -4.672 14.954 -9.498 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.173 12.390 -9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.776 14.863 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.809 13.478 -10.904 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.788 13.189 -7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.854 16.749 -10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.823 14.413 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.889 17.964 -8.462 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.382 16.800 -6.352 1.00 0.00 H new ATOM 1643 N CYS A 105 -5.559 11.915 -12.054 1.00 0.00 N ATOM 1644 CA CYS A 105 -4.948 11.495 -13.330 1.00 0.00 C ATOM 1645 C CYS A 105 -5.586 12.293 -14.474 1.00 0.00 C ATOM 1646 O CYS A 105 -6.592 12.966 -14.255 1.00 0.00 O ATOM 1647 CB CYS A 105 -5.113 9.971 -13.510 1.00 0.00 C ATOM 1648 SG CYS A 105 -6.827 9.402 -13.698 1.00 0.00 S ATOM 0 H CYS A 105 -6.405 11.401 -11.808 1.00 0.00 H new ATOM 0 HA CYS A 105 -3.878 11.703 -13.332 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.545 9.660 -14.387 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.672 9.469 -12.649 1.00 0.00 H new ATOM 0 HG CYS A 105 -7.588 10.028 -12.850 1.00 0.00 H new ATOM 1653 N GLN A 106 -4.997 12.224 -15.678 1.00 0.00 N ATOM 1654 CA GLN A 106 -5.480 12.960 -16.872 1.00 0.00 C ATOM 1655 C GLN A 106 -6.971 12.654 -17.177 1.00 0.00 C ATOM 1656 O GLN A 106 -7.715 13.534 -17.624 1.00 0.00 O ATOM 1657 CB GLN A 106 -4.573 12.604 -18.084 1.00 0.00 C ATOM 1658 CG GLN A 106 -4.988 13.227 -19.442 1.00 0.00 C ATOM 1659 CD GLN A 106 -3.976 12.983 -20.572 1.00 0.00 C ATOM 1660 OE1 GLN A 106 -3.070 13.788 -20.799 1.00 0.00 O ATOM 1661 NE2 GLN A 106 -4.126 11.876 -21.287 1.00 0.00 N ATOM 0 H GLN A 106 -4.169 11.656 -15.858 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.420 14.030 -16.674 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.555 12.919 -17.857 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.554 11.520 -18.194 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.954 12.819 -19.738 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.122 14.301 -19.313 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.886 11.230 -21.074 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.481 11.671 -22.050 1.00 0.00 H new ATOM 1670 N GLU A 107 -7.389 11.415 -16.865 1.00 0.00 N ATOM 1671 CA GLU A 107 -8.772 10.945 -17.057 1.00 0.00 C ATOM 1672 C GLU A 107 -9.720 11.688 -16.088 1.00 0.00 C ATOM 1673 O GLU A 107 -10.779 12.172 -16.486 1.00 0.00 O ATOM 1674 CB GLU A 107 -8.889 9.400 -16.843 1.00 0.00 C ATOM 1675 CG GLU A 107 -7.827 8.521 -17.565 1.00 0.00 C ATOM 1676 CD GLU A 107 -6.511 8.327 -16.768 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -6.435 7.389 -15.947 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -5.561 9.127 -16.931 1.00 0.00 O ATOM 0 H GLU A 107 -6.772 10.706 -16.469 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.060 11.161 -18.086 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.831 9.197 -15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.878 9.083 -17.174 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.261 7.543 -17.771 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.591 8.974 -18.528 1.00 0.00 H new ATOM 1685 N CYS A 108 -9.289 11.794 -14.815 1.00 0.00 N ATOM 1686 CA CYS A 108 -10.047 12.514 -13.765 1.00 0.00 C ATOM 1687 C CYS A 108 -10.044 14.035 -14.012 1.00 0.00 C ATOM 1688 O CYS A 108 -10.998 14.711 -13.650 1.00 0.00 O ATOM 1689 CB CYS A 108 -9.506 12.199 -12.357 1.00 0.00 C ATOM 1690 SG CYS A 108 -9.841 10.515 -11.792 1.00 0.00 S ATOM 0 H CYS A 108 -8.414 11.388 -14.485 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.077 12.161 -13.818 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.429 12.365 -12.349 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -9.942 12.902 -11.647 1.00 0.00 H new ATOM 0 HG CYS A 108 -8.858 10.103 -11.048 1.00 0.00 H new ATOM 1695 N ALA A 109 -8.959 14.548 -14.631 1.00 0.00 N ATOM 1696 CA ALA A 109 -8.857 15.960 -15.059 1.00 0.00 C ATOM 1697 C ALA A 109 -9.894 16.275 -16.162 1.00 0.00 C ATOM 1698 O ALA A 109 -10.420 17.389 -16.240 1.00 0.00 O ATOM 1699 CB ALA A 109 -7.421 16.267 -15.524 1.00 0.00 C ATOM 0 H ALA A 109 -8.130 13.995 -14.848 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.082 16.605 -14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.355 17.309 -15.837 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.727 16.091 -14.702 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.164 15.619 -16.362 1.00 0.00 H new ATOM 1705 N ALA A 110 -10.188 15.260 -16.991 1.00 0.00 N ATOM 1706 CA ALA A 110 -11.244 15.325 -18.017 1.00 0.00 C ATOM 1707 C ALA A 110 -12.640 15.071 -17.403 1.00 0.00 C ATOM 1708 O ALA A 110 -13.658 15.456 -17.981 1.00 0.00 O ATOM 1709 CB ALA A 110 -10.946 14.312 -19.133 1.00 0.00 C ATOM 0 H ALA A 110 -9.698 14.366 -16.969 1.00 0.00 H new ATOM 0 HA ALA A 110 -11.253 16.329 -18.441 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -11.729 14.363 -19.889 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.984 14.546 -19.590 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.913 13.307 -18.713 1.00 0.00 H new ATOM 1715 N ALA A 111 -12.669 14.420 -16.223 1.00 0.00 N ATOM 1716 CA ALA A 111 -13.918 14.069 -15.507 1.00 0.00 C ATOM 1717 C ALA A 111 -14.174 14.981 -14.281 1.00 0.00 C ATOM 1718 O ALA A 111 -14.937 14.613 -13.379 1.00 0.00 O ATOM 1719 CB ALA A 111 -13.864 12.588 -15.098 1.00 0.00 C ATOM 0 H ALA A 111 -11.825 14.120 -15.735 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.757 14.231 -16.183 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -14.780 12.323 -14.570 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -13.766 11.968 -15.989 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -13.008 12.422 -14.444 1.00 0.00 H new