USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 21 ASN : amide:sc= -0.426 K(o=-0.059,f=-5.5!) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.367 K(o=-0.059,f=-1.7) USER MOD Single : A 11 SER OG : rot -24:sc= 0.486 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 23 MET CE :methyl -168:sc= -0.0128 (180deg=-0.247) USER MOD Single : A 25 LYS NZ :NH3+ 133:sc= 1.21 (180deg=-0.355) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 38 MET CE :methyl -147:sc= -0.748 (180deg=-3.37!) USER MOD Single : A 40 ASN : amide:sc= 0.169 X(o=0.17,f=-0.099) USER MOD Single : A 42 SER OG : rot -86:sc= 1.17 USER MOD Single : A 45 SER OG : rot -91:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 155:sc= 1.15 (180deg=0.798) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0287 USER MOD Single : A 57 SER OG : rot -130:sc= -0.133 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.672 K(o=-0.67,f=-1.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 74 MET CE :methyl 165:sc= -0.0549 (180deg=-0.399) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.048 USER MOD Single : A 83 THR OG1 : rot 90:sc= 0.449 USER MOD Single : A 84 MET CE :methyl 139:sc= -0.812 (180deg=-2.74) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 6.140 -11.270 -4.428 1.00 0.00 N ATOM 56 CA SER A 11 6.694 -9.927 -4.575 1.00 0.00 C ATOM 57 C SER A 11 5.868 -8.896 -3.809 1.00 0.00 C ATOM 58 O SER A 11 6.405 -7.930 -3.275 1.00 0.00 O ATOM 59 CB SER A 11 6.774 -9.570 -6.053 1.00 0.00 C ATOM 60 OG SER A 11 5.646 -10.077 -6.749 1.00 0.00 O ATOM 0 HA SER A 11 7.697 -9.915 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.824 -8.487 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.688 -9.979 -6.483 1.00 0.00 H new ATOM 0 HG SER A 11 5.278 -10.843 -6.261 1.00 0.00 H new ATOM 66 N GLU A 12 4.569 -9.141 -3.737 1.00 0.00 N ATOM 67 CA GLU A 12 3.636 -8.274 -3.026 1.00 0.00 C ATOM 68 C GLU A 12 3.993 -8.191 -1.534 1.00 0.00 C ATOM 69 O GLU A 12 3.787 -7.165 -0.889 1.00 0.00 O ATOM 70 CB GLU A 12 2.220 -8.822 -3.189 1.00 0.00 C ATOM 71 CG GLU A 12 1.820 -9.055 -4.639 1.00 0.00 C ATOM 72 CD GLU A 12 0.569 -9.896 -4.768 1.00 0.00 C ATOM 73 OE1 GLU A 12 0.618 -11.090 -4.419 1.00 0.00 O ATOM 74 OE2 GLU A 12 -0.466 -9.375 -5.239 1.00 0.00 O ATOM 0 H GLU A 12 4.128 -9.951 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 12 3.698 -7.270 -3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.138 -9.762 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.515 -8.126 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.659 -8.094 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.639 -9.546 -5.164 1.00 0.00 H new ATOM 81 N THR A 13 4.537 -9.279 -1.000 1.00 0.00 N ATOM 82 CA THR A 13 4.910 -9.341 0.406 1.00 0.00 C ATOM 83 C THR A 13 6.400 -9.052 0.588 1.00 0.00 C ATOM 84 O THR A 13 6.861 -8.785 1.695 1.00 0.00 O ATOM 85 CB THR A 13 4.598 -10.737 1.005 1.00 0.00 C ATOM 86 OG1 THR A 13 5.432 -11.734 0.398 1.00 0.00 O ATOM 87 CG2 THR A 13 3.145 -11.115 0.773 1.00 0.00 C ATOM 0 H THR A 13 4.730 -10.133 -1.523 1.00 0.00 H new ATOM 0 HA THR A 13 4.324 -8.584 0.927 1.00 0.00 H new ATOM 0 HB THR A 13 4.792 -10.688 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.228 -12.611 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.952 -12.098 1.202 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.497 -10.378 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.942 -11.141 -0.298 1.00 0.00 H new ATOM 95 N TYR A 14 7.138 -9.102 -0.507 1.00 0.00 N ATOM 96 CA TYR A 14 8.579 -8.940 -0.475 1.00 0.00 C ATOM 97 C TYR A 14 8.999 -7.479 -0.655 1.00 0.00 C ATOM 98 O TYR A 14 10.095 -7.082 -0.249 1.00 0.00 O ATOM 99 CB TYR A 14 9.215 -9.821 -1.559 1.00 0.00 C ATOM 100 CG TYR A 14 10.698 -9.627 -1.720 1.00 0.00 C ATOM 101 CD1 TYR A 14 11.587 -10.114 -0.778 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.208 -8.947 -2.817 1.00 0.00 C ATOM 103 CE1 TYR A 14 12.942 -9.931 -0.920 1.00 0.00 C ATOM 104 CE2 TYR A 14 12.561 -8.760 -2.969 1.00 0.00 C ATOM 105 CZ TYR A 14 13.426 -9.253 -2.017 1.00 0.00 C ATOM 106 OH TYR A 14 14.782 -9.072 -2.162 1.00 0.00 O ATOM 0 H TYR A 14 6.756 -9.256 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 14 8.933 -9.252 0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.020 -10.867 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.727 -9.614 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.210 -10.646 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.531 -8.559 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.623 -10.317 -0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 14 12.943 -8.230 -3.829 1.00 0.00 H new ATOM 0 HH TYR A 14 14.959 -8.576 -2.988 1.00 0.00 H new ATOM 116 N ILE A 15 8.138 -6.681 -1.250 1.00 0.00 N ATOM 117 CA ILE A 15 8.462 -5.291 -1.491 1.00 0.00 C ATOM 118 C ILE A 15 8.287 -4.459 -0.218 1.00 0.00 C ATOM 119 O ILE A 15 7.322 -4.640 0.536 1.00 0.00 O ATOM 120 CB ILE A 15 7.607 -4.685 -2.634 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.953 -3.200 -2.829 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.119 -4.871 -2.361 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.070 -2.486 -3.820 1.00 0.00 C ATOM 0 H ILE A 15 7.214 -6.968 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 15 9.507 -5.260 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 15 7.841 -5.215 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.884 -2.693 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.989 -3.120 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.542 -4.437 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.894 -5.935 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.856 -4.375 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.380 -1.444 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.156 -2.965 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.034 -2.532 -3.483 1.00 0.00 H new ATOM 135 N THR A 16 9.219 -3.560 0.021 1.00 0.00 N ATOM 136 CA THR A 16 9.157 -2.710 1.173 1.00 0.00 C ATOM 137 C THR A 16 8.435 -1.419 0.842 1.00 0.00 C ATOM 138 O THR A 16 8.536 -0.903 -0.268 1.00 0.00 O ATOM 139 CB THR A 16 10.558 -2.405 1.728 1.00 0.00 C ATOM 140 OG1 THR A 16 11.523 -2.474 0.675 1.00 0.00 O ATOM 141 CG2 THR A 16 10.929 -3.379 2.831 1.00 0.00 C ATOM 0 H THR A 16 10.031 -3.405 -0.577 1.00 0.00 H new ATOM 0 HA THR A 16 8.600 -3.243 1.944 1.00 0.00 H new ATOM 0 HB THR A 16 10.549 -1.399 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.413 -2.277 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.924 -3.142 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.207 -3.301 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.923 -4.395 2.436 1.00 0.00 H new ATOM 149 N CYS A 17 7.707 -0.912 1.803 1.00 0.00 N ATOM 150 CA CYS A 17 6.949 0.309 1.633 1.00 0.00 C ATOM 151 C CYS A 17 7.873 1.501 1.346 1.00 0.00 C ATOM 152 O CYS A 17 7.543 2.373 0.548 1.00 0.00 O ATOM 153 CB CYS A 17 6.097 0.541 2.870 1.00 0.00 C ATOM 154 SG CYS A 17 5.524 2.234 3.098 1.00 0.00 S ATOM 0 H CYS A 17 7.620 -1.332 2.729 1.00 0.00 H new ATOM 0 HA CYS A 17 6.293 0.210 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.229 -0.116 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.672 0.247 3.748 1.00 0.00 H new ATOM 159 N ALA A 18 9.027 1.527 1.999 1.00 0.00 N ATOM 160 CA ALA A 18 10.029 2.558 1.745 1.00 0.00 C ATOM 161 C ALA A 18 10.585 2.435 0.319 1.00 0.00 C ATOM 162 O ALA A 18 10.857 3.441 -0.343 1.00 0.00 O ATOM 163 CB ALA A 18 11.155 2.464 2.764 1.00 0.00 C ATOM 0 H ALA A 18 9.294 0.846 2.710 1.00 0.00 H new ATOM 0 HA ALA A 18 9.551 3.533 1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.894 3.239 2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.751 2.601 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.628 1.484 2.694 1.00 0.00 H new ATOM 169 N GLU A 19 10.750 1.192 -0.146 1.00 0.00 N ATOM 170 CA GLU A 19 11.249 0.922 -1.499 1.00 0.00 C ATOM 171 C GLU A 19 10.275 1.439 -2.547 1.00 0.00 C ATOM 172 O GLU A 19 10.667 1.757 -3.675 1.00 0.00 O ATOM 173 CB GLU A 19 11.455 -0.582 -1.698 1.00 0.00 C ATOM 174 CG GLU A 19 12.185 -0.949 -2.979 1.00 0.00 C ATOM 175 CD GLU A 19 13.663 -0.632 -2.920 1.00 0.00 C ATOM 176 OE1 GLU A 19 14.022 0.514 -2.598 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.477 -1.537 -3.193 1.00 0.00 O ATOM 0 H GLU A 19 10.544 0.354 0.397 1.00 0.00 H new ATOM 0 HA GLU A 19 12.202 1.438 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.014 -0.976 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.482 -1.074 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.053 -2.013 -3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.736 -0.413 -3.815 1.00 0.00 H new ATOM 184 N ALA A 20 9.003 1.521 -2.172 1.00 0.00 N ATOM 185 CA ALA A 20 7.973 2.002 -3.072 1.00 0.00 C ATOM 186 C ALA A 20 8.314 3.399 -3.588 1.00 0.00 C ATOM 187 O ALA A 20 8.003 3.740 -4.718 1.00 0.00 O ATOM 188 CB ALA A 20 6.612 1.997 -2.392 1.00 0.00 C ATOM 0 H ALA A 20 8.664 1.258 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 20 7.927 1.325 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.856 2.362 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.362 0.981 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.641 2.644 -1.515 1.00 0.00 H new ATOM 194 N ASN A 21 8.971 4.198 -2.746 1.00 0.00 N ATOM 195 CA ASN A 21 9.396 5.548 -3.132 1.00 0.00 C ATOM 196 C ASN A 21 10.368 5.473 -4.291 1.00 0.00 C ATOM 197 O ASN A 21 10.194 6.144 -5.306 1.00 0.00 O ATOM 198 CB ASN A 21 10.077 6.258 -1.957 1.00 0.00 C ATOM 199 CG ASN A 21 9.141 6.559 -0.806 1.00 0.00 C ATOM 200 OD1 ASN A 21 9.534 6.478 0.358 1.00 0.00 O ATOM 201 ND2 ASN A 21 7.911 6.931 -1.112 1.00 0.00 N ATOM 0 H ASN A 21 9.221 3.936 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 21 8.510 6.111 -3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.897 5.638 -1.595 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.515 7.191 -2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.249 7.163 -0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.623 6.986 -2.089 1.00 0.00 H new ATOM 208 N GLU A 22 11.393 4.648 -4.122 1.00 0.00 N ATOM 209 CA GLU A 22 12.415 4.450 -5.139 1.00 0.00 C ATOM 210 C GLU A 22 11.785 4.077 -6.474 1.00 0.00 C ATOM 211 O GLU A 22 12.099 4.676 -7.506 1.00 0.00 O ATOM 212 CB GLU A 22 13.413 3.382 -4.700 1.00 0.00 C ATOM 213 CG GLU A 22 14.045 3.662 -3.346 1.00 0.00 C ATOM 214 CD GLU A 22 14.607 5.062 -3.245 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.698 5.313 -3.790 1.00 0.00 O ATOM 216 OE2 GLU A 22 13.957 5.921 -2.616 1.00 0.00 O ATOM 0 H GLU A 22 11.539 4.098 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 22 12.952 5.390 -5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.908 2.417 -4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.200 3.301 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.300 3.516 -2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.842 2.941 -3.165 1.00 0.00 H new ATOM 223 N MET A 23 10.899 3.085 -6.451 1.00 0.00 N ATOM 224 CA MET A 23 10.183 2.685 -7.652 1.00 0.00 C ATOM 225 C MET A 23 9.330 3.835 -8.184 1.00 0.00 C ATOM 226 O MET A 23 9.382 4.146 -9.359 1.00 0.00 O ATOM 227 CB MET A 23 9.298 1.462 -7.386 1.00 0.00 C ATOM 228 CG MET A 23 8.471 1.033 -8.599 1.00 0.00 C ATOM 229 SD MET A 23 7.330 -0.320 -8.240 1.00 0.00 S ATOM 230 CE MET A 23 8.472 -1.652 -7.896 1.00 0.00 C ATOM 0 H MET A 23 10.663 2.548 -5.617 1.00 0.00 H new ATOM 0 HA MET A 23 10.926 2.419 -8.404 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.927 0.629 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.625 1.683 -6.557 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.905 1.889 -8.966 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.144 0.729 -9.400 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.930 -2.597 -7.867 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.230 -1.692 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.953 -1.480 -6.933 1.00 0.00 H new ATOM 240 N ALA A 24 8.561 4.466 -7.295 1.00 0.00 N ATOM 241 CA ALA A 24 7.665 5.578 -7.665 1.00 0.00 C ATOM 242 C ALA A 24 8.395 6.680 -8.426 1.00 0.00 C ATOM 243 O ALA A 24 7.826 7.315 -9.315 1.00 0.00 O ATOM 244 CB ALA A 24 6.987 6.155 -6.432 1.00 0.00 C ATOM 0 H ALA A 24 8.537 4.228 -6.304 1.00 0.00 H new ATOM 0 HA ALA A 24 6.907 5.166 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.331 6.974 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.400 5.378 -5.942 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.744 6.527 -5.741 1.00 0.00 H new ATOM 250 N LYS A 25 9.646 6.909 -8.059 1.00 0.00 N ATOM 251 CA LYS A 25 10.487 7.923 -8.710 1.00 0.00 C ATOM 252 C LYS A 25 10.637 7.654 -10.211 1.00 0.00 C ATOM 253 O LYS A 25 10.926 8.562 -10.988 1.00 0.00 O ATOM 254 CB LYS A 25 11.868 7.973 -8.047 1.00 0.00 C ATOM 255 CG LYS A 25 11.846 8.425 -6.596 1.00 0.00 C ATOM 256 CD LYS A 25 13.209 8.256 -5.942 1.00 0.00 C ATOM 257 CE LYS A 25 13.185 8.695 -4.486 1.00 0.00 C ATOM 258 NZ LYS A 25 14.463 8.393 -3.791 1.00 0.00 N ATOM 0 H LYS A 25 10.113 6.404 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 25 9.993 8.887 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.321 6.983 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.508 8.647 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.543 9.471 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.102 7.849 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.517 7.212 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.951 8.840 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.988 9.766 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.365 8.195 -3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.772 9.228 -3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.323 7.595 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.189 8.144 -4.493 1.00 0.00 H new ATOM 272 N THR A 26 10.446 6.414 -10.607 1.00 0.00 N ATOM 273 CA THR A 26 10.557 6.037 -11.998 1.00 0.00 C ATOM 274 C THR A 26 9.212 5.534 -12.535 1.00 0.00 C ATOM 275 O THR A 26 8.861 5.773 -13.693 1.00 0.00 O ATOM 276 CB THR A 26 11.612 4.927 -12.171 1.00 0.00 C ATOM 277 OG1 THR A 26 12.822 5.294 -11.486 1.00 0.00 O ATOM 278 CG2 THR A 26 11.918 4.699 -13.642 1.00 0.00 C ATOM 0 H THR A 26 10.211 5.645 -9.979 1.00 0.00 H new ATOM 0 HA THR A 26 10.860 6.921 -12.559 1.00 0.00 H new ATOM 0 HB THR A 26 11.212 4.006 -11.748 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.489 4.585 -11.597 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.665 3.911 -13.740 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.007 4.402 -14.161 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.302 5.620 -14.081 1.00 0.00 H new ATOM 286 N ASP A 27 8.451 4.881 -11.673 1.00 0.00 N ATOM 287 CA ASP A 27 7.192 4.265 -12.057 1.00 0.00 C ATOM 288 C ASP A 27 6.153 4.383 -10.954 1.00 0.00 C ATOM 289 O ASP A 27 5.774 3.386 -10.333 1.00 0.00 O ATOM 290 CB ASP A 27 7.413 2.792 -12.383 1.00 0.00 C ATOM 291 CG ASP A 27 8.052 2.571 -13.736 1.00 0.00 C ATOM 292 OD1 ASP A 27 9.292 2.545 -13.817 1.00 0.00 O ATOM 293 OD2 ASP A 27 7.312 2.411 -14.729 1.00 0.00 O ATOM 0 H ASP A 27 8.688 4.763 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 27 6.821 4.791 -12.936 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.044 2.347 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.456 2.272 -12.351 1.00 0.00 H new ATOM 298 N SER A 28 5.710 5.599 -10.698 1.00 0.00 N ATOM 299 CA SER A 28 4.679 5.848 -9.690 1.00 0.00 C ATOM 300 C SER A 28 3.401 5.064 -10.015 1.00 0.00 C ATOM 301 O SER A 28 2.647 4.678 -9.119 1.00 0.00 O ATOM 302 CB SER A 28 4.381 7.346 -9.596 1.00 0.00 C ATOM 303 OG SER A 28 3.569 7.643 -8.474 1.00 0.00 O ATOM 0 H SER A 28 6.045 6.437 -11.172 1.00 0.00 H new ATOM 0 HA SER A 28 5.051 5.505 -8.724 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.317 7.901 -9.527 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.881 7.677 -10.506 1.00 0.00 H new ATOM 0 HG SER A 28 3.397 8.607 -8.440 1.00 0.00 H new ATOM 309 N ALA A 29 3.183 4.804 -11.295 1.00 0.00 N ATOM 310 CA ALA A 29 2.017 4.063 -11.737 1.00 0.00 C ATOM 311 C ALA A 29 1.987 2.651 -11.147 1.00 0.00 C ATOM 312 O ALA A 29 0.921 2.118 -10.869 1.00 0.00 O ATOM 313 CB ALA A 29 1.981 4.000 -13.255 1.00 0.00 C ATOM 0 H ALA A 29 3.804 5.098 -12.049 1.00 0.00 H new ATOM 0 HA ALA A 29 1.133 4.590 -11.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.102 3.441 -13.575 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.936 5.011 -13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.880 3.502 -13.620 1.00 0.00 H new ATOM 319 N GLN A 30 3.161 2.061 -10.930 1.00 0.00 N ATOM 320 CA GLN A 30 3.233 0.695 -10.427 1.00 0.00 C ATOM 321 C GLN A 30 3.002 0.623 -8.924 1.00 0.00 C ATOM 322 O GLN A 30 2.405 -0.332 -8.433 1.00 0.00 O ATOM 323 CB GLN A 30 4.564 0.042 -10.795 1.00 0.00 C ATOM 324 CG GLN A 30 4.769 -0.113 -12.290 1.00 0.00 C ATOM 325 CD GLN A 30 6.044 -0.854 -12.638 1.00 0.00 C ATOM 326 OE1 GLN A 30 6.501 -1.725 -11.898 1.00 0.00 O ATOM 327 NE2 GLN A 30 6.629 -0.511 -13.766 1.00 0.00 N ATOM 0 H GLN A 30 4.065 2.504 -11.093 1.00 0.00 H new ATOM 0 HA GLN A 30 2.428 0.140 -10.909 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.378 0.639 -10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.620 -0.940 -10.325 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.918 -0.646 -12.715 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.791 0.874 -12.753 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.219 0.216 -14.353 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.492 -0.972 -14.054 1.00 0.00 H new ATOM 336 N VAL A 31 3.432 1.644 -8.196 1.00 0.00 N ATOM 337 CA VAL A 31 3.280 1.628 -6.746 1.00 0.00 C ATOM 338 C VAL A 31 1.834 1.898 -6.357 1.00 0.00 C ATOM 339 O VAL A 31 1.347 1.385 -5.367 1.00 0.00 O ATOM 340 CB VAL A 31 4.226 2.627 -6.028 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.670 2.334 -6.382 1.00 0.00 C ATOM 342 CG2 VAL A 31 3.873 4.069 -6.354 1.00 0.00 C ATOM 0 H VAL A 31 3.880 2.478 -8.574 1.00 0.00 H new ATOM 0 HA VAL A 31 3.564 0.629 -6.415 1.00 0.00 H new ATOM 0 HB VAL A 31 4.095 2.495 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.321 3.043 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.922 1.320 -6.071 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.807 2.428 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.558 4.738 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.957 4.230 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.851 4.275 -6.035 1.00 0.00 H new ATOM 352 N ALA A 32 1.152 2.680 -7.172 1.00 0.00 N ATOM 353 CA ALA A 32 -0.236 2.995 -6.933 1.00 0.00 C ATOM 354 C ALA A 32 -1.110 1.847 -7.405 1.00 0.00 C ATOM 355 O ALA A 32 -2.189 1.615 -6.874 1.00 0.00 O ATOM 356 CB ALA A 32 -0.615 4.287 -7.643 1.00 0.00 C ATOM 0 H ALA A 32 1.544 3.110 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.391 3.138 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.665 4.512 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.004 5.103 -7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.456 4.173 -8.715 1.00 0.00 H new ATOM 362 N GLU A 33 -0.626 1.128 -8.410 1.00 0.00 N ATOM 363 CA GLU A 33 -1.347 -0.004 -8.962 1.00 0.00 C ATOM 364 C GLU A 33 -1.357 -1.169 -7.977 1.00 0.00 C ATOM 365 O GLU A 33 -2.415 -1.649 -7.586 1.00 0.00 O ATOM 366 CB GLU A 33 -0.708 -0.447 -10.278 1.00 0.00 C ATOM 367 CG GLU A 33 -1.519 -1.478 -11.037 1.00 0.00 C ATOM 368 CD GLU A 33 -2.830 -0.921 -11.542 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.812 -0.913 -10.782 1.00 0.00 O ATOM 370 OE2 GLU A 33 -2.883 -0.484 -12.708 1.00 0.00 O ATOM 0 H GLU A 33 0.270 1.314 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.375 0.306 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.564 0.427 -10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.280 -0.857 -10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.935 -1.847 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.716 -2.331 -10.388 1.00 0.00 H new ATOM 377 N ILE A 34 -0.167 -1.598 -7.561 1.00 0.00 N ATOM 378 CA ILE A 34 -0.030 -2.735 -6.648 1.00 0.00 C ATOM 379 C ILE A 34 -0.797 -2.493 -5.343 1.00 0.00 C ATOM 380 O ILE A 34 -1.471 -3.394 -4.827 1.00 0.00 O ATOM 381 CB ILE A 34 1.462 -3.033 -6.334 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.217 -3.375 -7.626 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.585 -4.176 -5.325 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.704 -3.601 -7.430 1.00 0.00 C ATOM 0 H ILE A 34 0.718 -1.176 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.458 -3.602 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 34 1.907 -2.141 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.778 -4.271 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.074 -2.567 -8.343 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.638 -4.368 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.079 -3.901 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.126 -5.075 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.166 -3.838 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.158 -2.698 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.858 -4.430 -6.739 1.00 0.00 H new ATOM 396 N VAL A 35 -0.709 -1.272 -4.834 1.00 0.00 N ATOM 397 CA VAL A 35 -1.393 -0.901 -3.603 1.00 0.00 C ATOM 398 C VAL A 35 -2.917 -0.885 -3.793 1.00 0.00 C ATOM 399 O VAL A 35 -3.669 -1.187 -2.870 1.00 0.00 O ATOM 400 CB VAL A 35 -0.890 0.478 -3.076 1.00 0.00 C ATOM 401 CG1 VAL A 35 -1.706 0.961 -1.890 1.00 0.00 C ATOM 402 CG2 VAL A 35 0.572 0.380 -2.685 1.00 0.00 C ATOM 0 H VAL A 35 -0.168 -0.518 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.156 -1.659 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.010 1.203 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.323 1.924 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.750 1.068 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.632 0.237 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.916 1.347 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.690 -0.368 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.163 0.091 -3.554 1.00 0.00 H new ATOM 412 N ALA A 36 -3.359 -0.570 -4.998 1.00 0.00 N ATOM 413 CA ALA A 36 -4.779 -0.511 -5.296 1.00 0.00 C ATOM 414 C ALA A 36 -5.351 -1.896 -5.564 1.00 0.00 C ATOM 415 O ALA A 36 -6.428 -2.227 -5.076 1.00 0.00 O ATOM 416 CB ALA A 36 -5.043 0.403 -6.480 1.00 0.00 C ATOM 0 H ALA A 36 -2.753 -0.351 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.280 -0.103 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.113 0.432 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.690 1.408 -6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.515 0.025 -7.356 1.00 0.00 H new ATOM 422 N VAL A 37 -4.626 -2.700 -6.345 1.00 0.00 N ATOM 423 CA VAL A 37 -5.080 -4.048 -6.697 1.00 0.00 C ATOM 424 C VAL A 37 -5.446 -4.864 -5.458 1.00 0.00 C ATOM 425 O VAL A 37 -6.614 -5.180 -5.243 1.00 0.00 O ATOM 426 CB VAL A 37 -4.022 -4.818 -7.534 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.472 -6.253 -7.791 1.00 0.00 C ATOM 428 CG2 VAL A 37 -3.762 -4.106 -8.852 1.00 0.00 C ATOM 0 H VAL A 37 -3.724 -2.442 -6.745 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.974 -3.917 -7.307 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.095 -4.845 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.715 -6.772 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.608 -6.767 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.415 -6.246 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.018 -4.660 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.689 -4.047 -9.423 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.392 -3.100 -8.655 1.00 0.00 H new ATOM 438 N MET A 38 -4.466 -5.197 -4.633 1.00 0.00 N ATOM 439 CA MET A 38 -4.744 -5.961 -3.427 1.00 0.00 C ATOM 440 C MET A 38 -5.333 -5.093 -2.327 1.00 0.00 C ATOM 441 O MET A 38 -5.965 -5.596 -1.406 1.00 0.00 O ATOM 442 CB MET A 38 -3.502 -6.728 -2.944 1.00 0.00 C ATOM 443 CG MET A 38 -2.302 -5.867 -2.577 1.00 0.00 C ATOM 444 SD MET A 38 -0.830 -6.870 -2.268 1.00 0.00 S ATOM 445 CE MET A 38 0.357 -5.624 -1.778 1.00 0.00 C ATOM 0 H MET A 38 -3.485 -4.955 -4.773 1.00 0.00 H new ATOM 0 HA MET A 38 -5.501 -6.701 -3.685 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.780 -7.323 -2.074 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.201 -7.426 -3.725 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.100 -5.162 -3.383 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.534 -5.278 -1.690 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.352 -5.919 -2.111 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.091 -4.669 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.352 -5.524 -0.693 1.00 0.00 H new ATOM 455 N GLY A 39 -5.123 -3.791 -2.422 1.00 0.00 N ATOM 456 CA GLY A 39 -5.686 -2.882 -1.443 1.00 0.00 C ATOM 457 C GLY A 39 -7.194 -2.860 -1.509 1.00 0.00 C ATOM 458 O GLY A 39 -7.867 -3.088 -0.511 1.00 0.00 O ATOM 0 H GLY A 39 -4.574 -3.346 -3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.369 -3.181 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.299 -1.877 -1.613 1.00 0.00 H new ATOM 462 N ASN A 40 -7.723 -2.604 -2.694 1.00 0.00 N ATOM 463 CA ASN A 40 -9.166 -2.574 -2.900 1.00 0.00 C ATOM 464 C ASN A 40 -9.769 -3.959 -2.645 1.00 0.00 C ATOM 465 O ASN A 40 -10.879 -4.083 -2.120 1.00 0.00 O ATOM 466 CB ASN A 40 -9.504 -2.069 -4.322 1.00 0.00 C ATOM 467 CG ASN A 40 -9.888 -3.172 -5.296 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.057 -3.534 -5.418 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.911 -3.702 -5.997 1.00 0.00 N ATOM 0 H ASN A 40 -7.174 -2.413 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.606 -1.877 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.324 -1.354 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.643 -1.531 -4.719 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.110 -4.441 -6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.954 -3.374 -5.867 1.00 0.00 H new ATOM 476 N ALA A 41 -9.016 -4.995 -3.000 1.00 0.00 N ATOM 477 CA ALA A 41 -9.453 -6.367 -2.805 1.00 0.00 C ATOM 478 C ALA A 41 -9.526 -6.732 -1.323 1.00 0.00 C ATOM 479 O ALA A 41 -10.377 -7.527 -0.916 1.00 0.00 O ATOM 480 CB ALA A 41 -8.532 -7.327 -3.543 1.00 0.00 C ATOM 0 H ALA A 41 -8.094 -4.906 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.459 -6.454 -3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.873 -8.351 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.546 -7.098 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.516 -7.221 -3.163 1.00 0.00 H new ATOM 486 N SER A 42 -8.651 -6.150 -0.514 1.00 0.00 N ATOM 487 CA SER A 42 -8.621 -6.455 0.903 1.00 0.00 C ATOM 488 C SER A 42 -9.645 -5.623 1.682 1.00 0.00 C ATOM 489 O SER A 42 -10.261 -6.116 2.631 1.00 0.00 O ATOM 490 CB SER A 42 -7.205 -6.265 1.468 1.00 0.00 C ATOM 491 OG SER A 42 -6.686 -4.992 1.141 1.00 0.00 O ATOM 0 H SER A 42 -7.957 -5.467 -0.817 1.00 0.00 H new ATOM 0 HA SER A 42 -8.899 -7.502 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.225 -6.384 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.547 -7.040 1.074 1.00 0.00 H new ATOM 0 HG SER A 42 -6.257 -5.030 0.261 1.00 0.00 H new ATOM 497 N VAL A 43 -9.820 -4.360 1.302 1.00 0.00 N ATOM 498 CA VAL A 43 -10.809 -3.516 1.959 1.00 0.00 C ATOM 499 C VAL A 43 -12.241 -3.985 1.693 1.00 0.00 C ATOM 500 O VAL A 43 -13.012 -4.175 2.628 1.00 0.00 O ATOM 501 CB VAL A 43 -10.677 -2.010 1.580 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.432 -1.406 2.186 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.667 -1.822 0.078 1.00 0.00 C ATOM 0 H VAL A 43 -9.297 -3.905 0.553 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.598 -3.615 3.024 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.547 -1.494 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.364 -0.355 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.478 -1.490 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.554 -1.937 1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.574 -0.761 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.824 -2.363 -0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.596 -2.206 -0.343 1.00 0.00 H new ATOM 513 N ALA A 44 -12.591 -4.217 0.425 1.00 0.00 N ATOM 514 CA ALA A 44 -13.965 -4.556 0.055 1.00 0.00 C ATOM 515 C ALA A 44 -14.395 -5.939 0.546 1.00 0.00 C ATOM 516 O ALA A 44 -15.580 -6.268 0.532 1.00 0.00 O ATOM 517 CB ALA A 44 -14.121 -4.462 -1.456 1.00 0.00 C ATOM 0 H ALA A 44 -11.942 -4.176 -0.361 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.619 -3.837 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.145 -4.715 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.897 -3.446 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.433 -5.158 -1.937 1.00 0.00 H new ATOM 523 N SER A 45 -13.447 -6.730 0.994 1.00 0.00 N ATOM 524 CA SER A 45 -13.749 -8.074 1.446 1.00 0.00 C ATOM 525 C SER A 45 -14.181 -8.102 2.916 1.00 0.00 C ATOM 526 O SER A 45 -14.907 -9.003 3.339 1.00 0.00 O ATOM 527 CB SER A 45 -12.561 -9.005 1.199 1.00 0.00 C ATOM 528 OG SER A 45 -11.341 -8.365 1.511 1.00 0.00 O ATOM 0 H SER A 45 -12.463 -6.470 1.056 1.00 0.00 H new ATOM 0 HA SER A 45 -14.595 -8.435 0.861 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.668 -9.905 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.553 -9.321 0.156 1.00 0.00 H new ATOM 0 HG SER A 45 -10.989 -7.923 0.710 1.00 0.00 H new ATOM 534 N ARG A 46 -13.755 -7.108 3.694 1.00 0.00 N ATOM 535 CA ARG A 46 -14.099 -7.079 5.117 1.00 0.00 C ATOM 536 C ARG A 46 -14.916 -5.846 5.482 1.00 0.00 C ATOM 537 O ARG A 46 -15.655 -5.848 6.463 1.00 0.00 O ATOM 538 CB ARG A 46 -12.828 -7.110 5.959 1.00 0.00 C ATOM 539 CG ARG A 46 -12.007 -8.373 5.801 1.00 0.00 C ATOM 540 CD ARG A 46 -10.655 -8.232 6.473 1.00 0.00 C ATOM 541 NE ARG A 46 -9.860 -9.457 6.381 1.00 0.00 N ATOM 542 CZ ARG A 46 -8.999 -9.733 5.396 1.00 0.00 C ATOM 543 NH1 ARG A 46 -8.877 -8.908 4.355 1.00 0.00 N ATOM 544 NH2 ARG A 46 -8.283 -10.848 5.439 1.00 0.00 N ATOM 0 H ARG A 46 -13.183 -6.327 3.373 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.708 -7.959 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.209 -6.253 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.098 -6.995 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.545 -9.217 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.869 -8.591 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.107 -7.410 6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.798 -7.972 7.522 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.971 -10.150 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.442 -8.060 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.218 -9.125 3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.390 -11.493 6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.625 -11.061 4.689 1.00 0.00 H new ATOM 558 N ASP A 47 -14.792 -4.806 4.687 1.00 0.00 N ATOM 559 CA ASP A 47 -15.502 -3.564 4.941 1.00 0.00 C ATOM 560 C ASP A 47 -16.870 -3.578 4.267 1.00 0.00 C ATOM 561 O ASP A 47 -17.895 -3.307 4.905 1.00 0.00 O ATOM 562 CB ASP A 47 -14.663 -2.392 4.442 1.00 0.00 C ATOM 563 CG ASP A 47 -15.217 -1.060 4.843 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.313 -0.790 6.048 1.00 0.00 O ATOM 565 OD2 ASP A 47 -15.560 -0.274 3.956 1.00 0.00 O ATOM 0 H ASP A 47 -14.204 -4.793 3.854 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.663 -3.455 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.649 -2.488 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.595 -2.438 3.355 1.00 0.00 H new ATOM 570 N LEU A 48 -16.870 -3.889 2.964 1.00 0.00 N ATOM 571 CA LEU A 48 -18.096 -4.007 2.150 1.00 0.00 C ATOM 572 C LEU A 48 -18.806 -2.648 1.957 1.00 0.00 C ATOM 573 O LEU A 48 -19.869 -2.572 1.347 1.00 0.00 O ATOM 574 CB LEU A 48 -19.059 -5.047 2.761 1.00 0.00 C ATOM 575 CG LEU A 48 -20.232 -5.481 1.874 1.00 0.00 C ATOM 576 CD1 LEU A 48 -19.725 -6.152 0.608 1.00 0.00 C ATOM 577 CD2 LEU A 48 -21.161 -6.412 2.635 1.00 0.00 C ATOM 0 H LEU A 48 -16.015 -4.068 2.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.792 -4.350 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.483 -5.934 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.462 -4.639 3.688 1.00 0.00 H new ATOM 0 HG LEU A 48 -20.794 -4.591 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -20.572 -6.453 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.101 -5.453 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.138 -7.032 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.987 -6.709 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.610 -7.298 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -21.553 -5.897 3.512 1.00 0.00 H new ATOM 589 N LYS A 49 -18.203 -1.591 2.460 1.00 0.00 N ATOM 590 CA LYS A 49 -18.764 -0.250 2.339 1.00 0.00 C ATOM 591 C LYS A 49 -17.688 0.711 1.892 1.00 0.00 C ATOM 592 O LYS A 49 -17.819 1.929 2.021 1.00 0.00 O ATOM 593 CB LYS A 49 -19.363 0.195 3.678 1.00 0.00 C ATOM 594 CG LYS A 49 -18.430 -0.010 4.859 1.00 0.00 C ATOM 595 CD LYS A 49 -19.091 0.356 6.166 1.00 0.00 C ATOM 596 CE LYS A 49 -18.231 -0.050 7.356 1.00 0.00 C ATOM 597 NZ LYS A 49 -16.939 0.682 7.403 1.00 0.00 N ATOM 0 H LYS A 49 -17.316 -1.630 2.962 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.560 -0.258 1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -19.629 1.250 3.615 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -20.286 -0.357 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.110 -1.051 4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.533 0.595 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.272 1.430 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.063 -0.133 6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.783 0.134 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.036 -1.121 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.592 0.711 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.242 0.196 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.077 1.653 7.056 1.00 0.00 H new ATOM 611 N ILE A 50 -16.634 0.149 1.342 1.00 0.00 N ATOM 612 CA ILE A 50 -15.496 0.912 0.903 1.00 0.00 C ATOM 613 C ILE A 50 -15.763 1.525 -0.474 1.00 0.00 C ATOM 614 O ILE A 50 -16.574 1.005 -1.254 1.00 0.00 O ATOM 615 CB ILE A 50 -14.226 0.007 0.837 1.00 0.00 C ATOM 616 CG1 ILE A 50 -12.954 0.854 0.729 1.00 0.00 C ATOM 617 CG2 ILE A 50 -14.320 -0.967 -0.327 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.655 1.672 1.967 1.00 0.00 C ATOM 0 H ILE A 50 -16.546 -0.855 1.188 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.325 1.713 1.622 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.173 -0.567 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.108 0.197 0.526 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.048 1.526 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.425 -1.588 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.198 -1.601 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.405 -0.411 -1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.740 2.244 1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.482 2.355 2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.528 1.007 2.821 1.00 0.00 H new ATOM 630 N GLU A 51 -15.091 2.617 -0.769 1.00 0.00 N ATOM 631 CA GLU A 51 -15.232 3.271 -2.051 1.00 0.00 C ATOM 632 C GLU A 51 -14.105 2.827 -2.967 1.00 0.00 C ATOM 633 O GLU A 51 -12.929 2.896 -2.594 1.00 0.00 O ATOM 634 CB GLU A 51 -15.210 4.793 -1.888 1.00 0.00 C ATOM 635 CG GLU A 51 -16.359 5.345 -1.055 1.00 0.00 C ATOM 636 CD GLU A 51 -17.717 5.035 -1.651 1.00 0.00 C ATOM 637 OE1 GLU A 51 -18.065 5.632 -2.690 1.00 0.00 O ATOM 638 OE2 GLU A 51 -18.449 4.204 -1.078 1.00 0.00 O ATOM 0 H GLU A 51 -14.437 3.073 -0.133 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.190 2.991 -2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.267 5.085 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.237 5.254 -2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.305 4.929 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.247 6.425 -0.960 1.00 0.00 H new ATOM 645 N GLN A 52 -14.451 2.359 -4.148 1.00 0.00 N ATOM 646 CA GLN A 52 -13.452 1.901 -5.091 1.00 0.00 C ATOM 647 C GLN A 52 -12.836 3.079 -5.824 1.00 0.00 C ATOM 648 O GLN A 52 -13.274 3.458 -6.907 1.00 0.00 O ATOM 649 CB GLN A 52 -14.043 0.892 -6.077 1.00 0.00 C ATOM 650 CG GLN A 52 -14.512 -0.396 -5.417 1.00 0.00 C ATOM 651 CD GLN A 52 -15.073 -1.393 -6.410 1.00 0.00 C ATOM 652 OE1 GLN A 52 -14.666 -1.426 -7.575 1.00 0.00 O ATOM 653 NE2 GLN A 52 -16.002 -2.213 -5.957 1.00 0.00 N ATOM 0 H GLN A 52 -15.414 2.286 -4.477 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.666 1.394 -4.532 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.884 1.352 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.295 0.653 -6.832 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.677 -0.851 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -15.274 -0.162 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.308 -2.150 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.414 -2.910 -6.578 1.00 0.00 H new ATOM 662 N SER A 53 -11.839 3.670 -5.210 1.00 0.00 N ATOM 663 CA SER A 53 -11.164 4.809 -5.770 1.00 0.00 C ATOM 664 C SER A 53 -9.675 4.720 -5.497 1.00 0.00 C ATOM 665 O SER A 53 -9.258 4.359 -4.386 1.00 0.00 O ATOM 666 CB SER A 53 -11.737 6.106 -5.187 1.00 0.00 C ATOM 667 OG SER A 53 -11.009 7.239 -5.640 1.00 0.00 O ATOM 0 H SER A 53 -11.474 3.371 -4.305 1.00 0.00 H new ATOM 0 HA SER A 53 -11.321 4.815 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.784 6.205 -5.473 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.707 6.063 -4.098 1.00 0.00 H new ATOM 0 HG SER A 53 -11.397 8.052 -5.255 1.00 0.00 H new ATOM 673 N PRO A 54 -8.847 5.041 -6.498 1.00 0.00 N ATOM 674 CA PRO A 54 -7.394 5.019 -6.356 1.00 0.00 C ATOM 675 C PRO A 54 -6.904 6.090 -5.384 1.00 0.00 C ATOM 676 O PRO A 54 -5.775 6.034 -4.904 1.00 0.00 O ATOM 677 CB PRO A 54 -6.886 5.300 -7.773 1.00 0.00 C ATOM 678 CG PRO A 54 -8.006 6.012 -8.443 1.00 0.00 C ATOM 679 CD PRO A 54 -9.262 5.447 -7.855 1.00 0.00 C ATOM 0 HA PRO A 54 -7.034 4.073 -5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.983 5.910 -7.756 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -6.636 4.376 -8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.944 7.087 -8.272 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -7.976 5.859 -9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.062 6.187 -7.827 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.632 4.600 -8.433 1.00 0.00 H new ATOM 687 N GLU A 55 -7.771 7.056 -5.081 1.00 0.00 N ATOM 688 CA GLU A 55 -7.425 8.116 -4.151 1.00 0.00 C ATOM 689 C GLU A 55 -7.291 7.552 -2.739 1.00 0.00 C ATOM 690 O GLU A 55 -6.409 7.954 -1.979 1.00 0.00 O ATOM 691 CB GLU A 55 -8.465 9.235 -4.188 1.00 0.00 C ATOM 692 CG GLU A 55 -8.061 10.466 -3.397 1.00 0.00 C ATOM 693 CD GLU A 55 -9.026 11.613 -3.563 1.00 0.00 C ATOM 694 OE1 GLU A 55 -8.847 12.412 -4.509 1.00 0.00 O ATOM 695 OE2 GLU A 55 -9.966 11.730 -2.748 1.00 0.00 O ATOM 0 H GLU A 55 -8.713 7.121 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.467 8.540 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.642 9.521 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.409 8.856 -3.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.991 10.206 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.068 10.785 -3.713 1.00 0.00 H new ATOM 702 N LEU A 56 -8.160 6.604 -2.399 1.00 0.00 N ATOM 703 CA LEU A 56 -8.089 5.943 -1.100 1.00 0.00 C ATOM 704 C LEU A 56 -6.846 5.071 -1.042 1.00 0.00 C ATOM 705 O LEU A 56 -6.242 4.892 0.015 1.00 0.00 O ATOM 706 CB LEU A 56 -9.349 5.099 -0.826 1.00 0.00 C ATOM 707 CG LEU A 56 -10.589 5.864 -0.325 1.00 0.00 C ATOM 708 CD1 LEU A 56 -11.111 6.831 -1.374 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.680 4.891 0.091 1.00 0.00 C ATOM 0 H LEU A 56 -8.917 6.278 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.034 6.710 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.617 4.577 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.096 4.337 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.289 6.450 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.986 7.352 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.335 7.556 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.387 6.279 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.549 5.447 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.964 4.276 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.311 4.251 0.892 1.00 0.00 H new ATOM 721 N SER A 57 -6.458 4.563 -2.201 1.00 0.00 N ATOM 722 CA SER A 57 -5.264 3.753 -2.320 1.00 0.00 C ATOM 723 C SER A 57 -4.046 4.629 -2.061 1.00 0.00 C ATOM 724 O SER A 57 -3.162 4.268 -1.286 1.00 0.00 O ATOM 725 CB SER A 57 -5.186 3.118 -3.712 1.00 0.00 C ATOM 726 OG SER A 57 -4.019 2.335 -3.856 1.00 0.00 O ATOM 0 H SER A 57 -6.960 4.701 -3.078 1.00 0.00 H new ATOM 0 HA SER A 57 -5.293 2.948 -1.586 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.066 2.497 -3.880 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.198 3.900 -4.472 1.00 0.00 H new ATOM 0 HG SER A 57 -3.558 2.584 -4.685 1.00 0.00 H new ATOM 732 N ALA A 58 -4.008 5.774 -2.743 1.00 0.00 N ATOM 733 CA ALA A 58 -2.965 6.777 -2.543 1.00 0.00 C ATOM 734 C ALA A 58 -2.768 7.098 -1.058 1.00 0.00 C ATOM 735 O ALA A 58 -1.651 7.287 -0.609 1.00 0.00 O ATOM 736 CB ALA A 58 -3.297 8.040 -3.317 1.00 0.00 C ATOM 0 H ALA A 58 -4.699 6.031 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.029 6.364 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.512 8.780 -3.160 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.369 7.807 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.249 8.441 -2.968 1.00 0.00 H new ATOM 742 N LYS A 59 -3.855 7.125 -0.301 1.00 0.00 N ATOM 743 CA LYS A 59 -3.774 7.414 1.128 1.00 0.00 C ATOM 744 C LYS A 59 -3.104 6.249 1.867 1.00 0.00 C ATOM 745 O LYS A 59 -2.242 6.452 2.727 1.00 0.00 O ATOM 746 CB LYS A 59 -5.171 7.683 1.702 1.00 0.00 C ATOM 747 CG LYS A 59 -5.168 8.064 3.176 1.00 0.00 C ATOM 748 CD LYS A 59 -6.561 8.443 3.664 1.00 0.00 C ATOM 749 CE LYS A 59 -7.526 7.268 3.595 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.885 7.650 4.052 1.00 0.00 N ATOM 0 H LYS A 59 -4.799 6.952 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.168 8.309 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.640 8.484 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.786 6.793 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.790 7.229 3.767 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.487 8.900 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.500 8.803 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.946 9.265 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.577 6.898 2.571 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.150 6.451 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.516 6.826 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.840 7.980 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.253 8.412 3.448 1.00 0.00 H new ATOM 764 N VAL A 60 -3.513 5.031 1.506 1.00 0.00 N ATOM 765 CA VAL A 60 -2.959 3.792 2.080 1.00 0.00 C ATOM 766 C VAL A 60 -1.434 3.704 1.896 1.00 0.00 C ATOM 767 O VAL A 60 -0.736 3.105 2.708 1.00 0.00 O ATOM 768 CB VAL A 60 -3.622 2.532 1.447 1.00 0.00 C ATOM 769 CG1 VAL A 60 -2.954 1.256 1.932 1.00 0.00 C ATOM 770 CG2 VAL A 60 -5.103 2.487 1.759 1.00 0.00 C ATOM 0 H VAL A 60 -4.238 4.870 0.807 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.180 3.821 3.147 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.491 2.602 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.439 0.394 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.900 1.269 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.044 1.188 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.543 1.599 1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.246 2.453 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.587 3.377 1.357 1.00 0.00 H new ATOM 780 N VAL A 61 -0.925 4.323 0.851 1.00 0.00 N ATOM 781 CA VAL A 61 0.496 4.242 0.568 1.00 0.00 C ATOM 782 C VAL A 61 1.239 5.508 1.009 1.00 0.00 C ATOM 783 O VAL A 61 2.319 5.424 1.569 1.00 0.00 O ATOM 784 CB VAL A 61 0.786 3.924 -0.932 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.215 4.988 -1.854 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.281 3.745 -1.170 1.00 0.00 C ATOM 0 H VAL A 61 -1.465 4.882 0.190 1.00 0.00 H new ATOM 0 HA VAL A 61 0.876 3.407 1.157 1.00 0.00 H new ATOM 0 HB VAL A 61 0.286 2.985 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.438 4.730 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.865 5.045 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.662 5.953 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.458 3.524 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.805 4.661 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.651 2.921 -0.559 1.00 0.00 H new ATOM 796 N GLU A 62 0.635 6.668 0.781 1.00 0.00 N ATOM 797 CA GLU A 62 1.270 7.942 1.100 1.00 0.00 C ATOM 798 C GLU A 62 1.490 8.116 2.603 1.00 0.00 C ATOM 799 O GLU A 62 2.622 8.281 3.044 1.00 0.00 O ATOM 800 CB GLU A 62 0.452 9.103 0.542 1.00 0.00 C ATOM 801 CG GLU A 62 1.117 10.454 0.687 1.00 0.00 C ATOM 802 CD GLU A 62 0.345 11.541 -0.009 1.00 0.00 C ATOM 803 OE1 GLU A 62 0.586 11.771 -1.207 1.00 0.00 O ATOM 804 OE2 GLU A 62 -0.512 12.174 0.632 1.00 0.00 O ATOM 0 H GLU A 62 -0.297 6.753 0.375 1.00 0.00 H new ATOM 0 HA GLU A 62 2.252 7.940 0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.254 8.919 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.513 9.129 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.214 10.699 1.745 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.126 10.407 0.277 1.00 0.00 H new ATOM 811 N LYS A 63 0.410 8.070 3.383 1.00 0.00 N ATOM 812 CA LYS A 63 0.514 8.246 4.833 1.00 0.00 C ATOM 813 C LYS A 63 1.389 7.170 5.451 1.00 0.00 C ATOM 814 O LYS A 63 2.353 7.463 6.156 1.00 0.00 O ATOM 815 CB LYS A 63 -0.868 8.220 5.494 1.00 0.00 C ATOM 816 CG LYS A 63 -1.734 9.438 5.200 1.00 0.00 C ATOM 817 CD LYS A 63 -3.069 9.365 5.944 1.00 0.00 C ATOM 818 CE LYS A 63 -2.873 9.318 7.457 1.00 0.00 C ATOM 819 NZ LYS A 63 -4.163 9.224 8.188 1.00 0.00 N ATOM 0 H LYS A 63 -0.538 7.914 3.041 1.00 0.00 H new ATOM 0 HA LYS A 63 0.971 9.220 5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.397 7.326 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.739 8.134 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.202 10.344 5.491 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.916 9.507 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.678 10.230 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.617 8.480 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.249 8.462 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.339 10.211 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.981 9.195 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.750 10.053 7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.663 8.358 7.901 1.00 0.00 H new ATOM 833 N LEU A 64 1.012 5.932 5.206 1.00 0.00 N ATOM 834 CA LEU A 64 1.747 4.771 5.705 1.00 0.00 C ATOM 835 C LEU A 64 3.254 4.898 5.428 1.00 0.00 C ATOM 836 O LEU A 64 4.074 4.622 6.307 1.00 0.00 O ATOM 837 CB LEU A 64 1.196 3.489 5.079 1.00 0.00 C ATOM 838 CG LEU A 64 1.200 2.233 5.969 1.00 0.00 C ATOM 839 CD1 LEU A 64 2.609 1.860 6.407 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.306 2.431 7.182 1.00 0.00 C ATOM 0 H LEU A 64 0.187 5.694 4.655 1.00 0.00 H new ATOM 0 HA LEU A 64 1.611 4.726 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.171 3.678 4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.774 3.272 4.181 1.00 0.00 H new ATOM 0 HG LEU A 64 0.807 1.410 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.571 0.969 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.222 1.660 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.044 2.684 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.323 1.532 7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.667 3.277 7.766 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.715 2.626 6.854 1.00 0.00 H new ATOM 852 N ASN A 65 3.609 5.342 4.220 1.00 0.00 N ATOM 853 CA ASN A 65 5.016 5.497 3.825 1.00 0.00 C ATOM 854 C ASN A 65 5.800 6.441 4.747 1.00 0.00 C ATOM 855 O ASN A 65 7.024 6.398 4.781 1.00 0.00 O ATOM 856 CB ASN A 65 5.131 5.922 2.353 1.00 0.00 C ATOM 857 CG ASN A 65 6.550 6.218 1.913 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.009 7.356 1.966 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.251 5.195 1.462 1.00 0.00 N ATOM 0 H ASN A 65 2.941 5.602 3.494 1.00 0.00 H new ATOM 0 HA ASN A 65 5.480 4.517 3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.722 5.132 1.723 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.518 6.808 2.191 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.209 5.335 1.142 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.835 4.264 1.434 1.00 0.00 H new ATOM 866 N GLN A 66 5.098 7.256 5.531 1.00 0.00 N ATOM 867 CA GLN A 66 5.779 8.132 6.481 1.00 0.00 C ATOM 868 C GLN A 66 6.455 7.291 7.541 1.00 0.00 C ATOM 869 O GLN A 66 7.559 7.593 7.981 1.00 0.00 O ATOM 870 CB GLN A 66 4.829 9.141 7.127 1.00 0.00 C ATOM 871 CG GLN A 66 4.752 10.465 6.392 1.00 0.00 C ATOM 872 CD GLN A 66 4.065 10.358 5.049 1.00 0.00 C ATOM 873 OE1 GLN A 66 2.849 10.536 4.947 1.00 0.00 O ATOM 874 NE2 GLN A 66 4.829 10.081 4.013 1.00 0.00 N ATOM 0 H GLN A 66 4.081 7.328 5.529 1.00 0.00 H new ATOM 0 HA GLN A 66 6.523 8.708 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.831 8.706 7.178 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.150 9.323 8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.218 11.187 7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.760 10.853 6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.831 9.941 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.419 10.006 3.082 1.00 0.00 H new ATOM 883 N VAL A 67 5.777 6.226 7.945 1.00 0.00 N ATOM 884 CA VAL A 67 6.339 5.277 8.882 1.00 0.00 C ATOM 885 C VAL A 67 7.546 4.603 8.242 1.00 0.00 C ATOM 886 O VAL A 67 8.621 4.570 8.817 1.00 0.00 O ATOM 887 CB VAL A 67 5.304 4.202 9.293 1.00 0.00 C ATOM 888 CG1 VAL A 67 5.895 3.244 10.319 1.00 0.00 C ATOM 889 CG2 VAL A 67 4.036 4.854 9.832 1.00 0.00 C ATOM 0 H VAL A 67 4.832 6.001 7.634 1.00 0.00 H new ATOM 0 HA VAL A 67 6.636 5.817 9.781 1.00 0.00 H new ATOM 0 HB VAL A 67 5.042 3.627 8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.149 2.498 10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.766 2.747 9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.193 3.801 11.207 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.322 4.081 10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.281 5.459 10.705 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.598 5.489 9.062 1.00 0.00 H new ATOM 899 N CYS A 68 7.340 4.069 7.044 1.00 0.00 N ATOM 900 CA CYS A 68 8.397 3.435 6.250 1.00 0.00 C ATOM 901 C CYS A 68 9.604 4.361 6.050 1.00 0.00 C ATOM 902 O CYS A 68 10.744 3.905 5.987 1.00 0.00 O ATOM 903 CB CYS A 68 7.810 3.062 4.906 1.00 0.00 C ATOM 904 SG CYS A 68 6.051 2.597 5.011 1.00 0.00 S ATOM 0 H CYS A 68 6.428 4.062 6.588 1.00 0.00 H new ATOM 0 HA CYS A 68 8.756 2.554 6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.919 3.903 4.221 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.377 2.232 4.485 1.00 0.00 H new ATOM 909 N ALA A 69 9.344 5.653 5.943 1.00 0.00 N ATOM 910 CA ALA A 69 10.404 6.639 5.786 1.00 0.00 C ATOM 911 C ALA A 69 11.238 6.731 7.060 1.00 0.00 C ATOM 912 O ALA A 69 12.408 7.112 7.027 1.00 0.00 O ATOM 913 CB ALA A 69 9.819 8.000 5.435 1.00 0.00 C ATOM 0 H ALA A 69 8.403 6.047 5.962 1.00 0.00 H new ATOM 0 HA ALA A 69 11.052 6.321 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.626 8.724 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.263 7.927 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.149 8.325 6.231 1.00 0.00 H new ATOM 919 N LYS A 70 10.630 6.364 8.174 1.00 0.00 N ATOM 920 CA LYS A 70 11.303 6.390 9.463 1.00 0.00 C ATOM 921 C LYS A 70 11.848 5.010 9.815 1.00 0.00 C ATOM 922 O LYS A 70 12.634 4.867 10.753 1.00 0.00 O ATOM 923 CB LYS A 70 10.341 6.837 10.559 1.00 0.00 C ATOM 924 CG LYS A 70 9.623 8.133 10.259 1.00 0.00 C ATOM 925 CD LYS A 70 8.625 8.458 11.348 1.00 0.00 C ATOM 926 CE LYS A 70 7.737 9.616 10.954 1.00 0.00 C ATOM 927 NZ LYS A 70 6.779 9.970 12.030 1.00 0.00 N ATOM 0 H LYS A 70 9.663 6.042 8.213 1.00 0.00 H new ATOM 0 HA LYS A 70 12.129 7.097 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.601 6.053 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.895 6.948 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.347 8.943 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.110 8.056 9.300 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.012 7.581 11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.155 8.701 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.354 10.483 10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.187 9.360 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.189 10.768 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.173 9.151 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.303 10.239 12.887 1.00 0.00 H new ATOM 941 N ASP A 71 11.447 4.002 9.053 1.00 0.00 N ATOM 942 CA ASP A 71 11.852 2.619 9.300 1.00 0.00 C ATOM 943 C ASP A 71 11.564 1.770 8.061 1.00 0.00 C ATOM 944 O ASP A 71 10.404 1.532 7.713 1.00 0.00 O ATOM 945 CB ASP A 71 11.121 2.042 10.514 1.00 0.00 C ATOM 946 CG ASP A 71 11.495 0.600 10.778 1.00 0.00 C ATOM 947 OD1 ASP A 71 12.639 0.349 11.215 1.00 0.00 O ATOM 948 OD2 ASP A 71 10.646 -0.287 10.561 1.00 0.00 O ATOM 0 H ASP A 71 10.833 4.116 8.247 1.00 0.00 H new ATOM 0 HA ASP A 71 12.921 2.604 9.511 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.353 2.642 11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.045 2.113 10.355 1.00 0.00 H new ATOM 953 N PRO A 72 12.615 1.300 7.380 1.00 0.00 N ATOM 954 CA PRO A 72 12.483 0.569 6.114 1.00 0.00 C ATOM 955 C PRO A 72 12.015 -0.885 6.265 1.00 0.00 C ATOM 956 O PRO A 72 11.896 -1.598 5.272 1.00 0.00 O ATOM 957 CB PRO A 72 13.900 0.608 5.549 1.00 0.00 C ATOM 958 CG PRO A 72 14.777 0.652 6.752 1.00 0.00 C ATOM 959 CD PRO A 72 14.027 1.448 7.787 1.00 0.00 C ATOM 0 HA PRO A 72 11.719 1.022 5.482 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.108 -0.270 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.051 1.482 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.992 -0.353 7.114 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.734 1.119 6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.198 1.061 8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.336 2.493 7.791 1.00 0.00 H new ATOM 967 N GLN A 73 11.755 -1.328 7.489 1.00 0.00 N ATOM 968 CA GLN A 73 11.330 -2.715 7.718 1.00 0.00 C ATOM 969 C GLN A 73 9.852 -2.901 7.418 1.00 0.00 C ATOM 970 O GLN A 73 9.337 -4.017 7.458 1.00 0.00 O ATOM 971 CB GLN A 73 11.605 -3.128 9.151 1.00 0.00 C ATOM 972 CG GLN A 73 12.973 -2.733 9.645 1.00 0.00 C ATOM 973 CD GLN A 73 13.205 -3.145 11.072 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.742 -4.196 11.518 1.00 0.00 O ATOM 975 NE2 GLN A 73 13.862 -2.293 11.812 1.00 0.00 N ATOM 0 H GLN A 73 11.828 -0.760 8.333 1.00 0.00 H new ATOM 0 HA GLN A 73 11.905 -3.345 7.040 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.852 -2.681 9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.497 -4.209 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.732 -3.189 9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.091 -1.653 9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.228 -1.435 11.399 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.010 -2.486 12.803 1.00 0.00 H new ATOM 984 N MET A 74 9.176 -1.813 7.143 1.00 0.00 N ATOM 985 CA MET A 74 7.756 -1.861 6.822 1.00 0.00 C ATOM 986 C MET A 74 7.532 -2.343 5.383 1.00 0.00 C ATOM 987 O MET A 74 7.918 -1.665 4.421 1.00 0.00 O ATOM 988 CB MET A 74 7.116 -0.485 7.028 1.00 0.00 C ATOM 989 CG MET A 74 5.629 -0.434 6.689 1.00 0.00 C ATOM 990 SD MET A 74 4.643 -1.588 7.664 1.00 0.00 S ATOM 991 CE MET A 74 4.921 -0.969 9.323 1.00 0.00 C ATOM 0 H MET A 74 9.580 -0.877 7.133 1.00 0.00 H new ATOM 0 HA MET A 74 7.281 -2.574 7.496 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.252 -0.185 8.067 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.643 0.245 6.414 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.260 0.578 6.852 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.496 -0.656 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.183 -1.399 10.000 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.922 -1.248 9.653 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.828 0.117 9.327 1.00 0.00 H new ATOM 1001 N LEU A 75 6.922 -3.516 5.242 1.00 0.00 N ATOM 1002 CA LEU A 75 6.608 -4.077 3.924 1.00 0.00 C ATOM 1003 C LEU A 75 5.385 -3.385 3.349 1.00 0.00 C ATOM 1004 O LEU A 75 4.584 -2.812 4.089 1.00 0.00 O ATOM 1005 CB LEU A 75 6.343 -5.598 4.005 1.00 0.00 C ATOM 1006 CG LEU A 75 7.538 -6.512 4.350 1.00 0.00 C ATOM 1007 CD1 LEU A 75 8.728 -6.227 3.449 1.00 0.00 C ATOM 1008 CD2 LEU A 75 7.922 -6.396 5.819 1.00 0.00 C ATOM 0 H LEU A 75 6.633 -4.102 6.025 1.00 0.00 H new ATOM 0 HA LEU A 75 7.470 -3.913 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.566 -5.765 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.939 -5.921 3.046 1.00 0.00 H new ATOM 0 HG LEU A 75 7.224 -7.541 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.553 -6.887 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.447 -6.400 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.038 -5.189 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.767 -7.053 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.200 -5.366 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.075 -6.686 6.441 1.00 0.00 H new ATOM 1020 N LEU A 76 5.237 -3.437 2.035 1.00 0.00 N ATOM 1021 CA LEU A 76 4.098 -2.806 1.387 1.00 0.00 C ATOM 1022 C LEU A 76 2.818 -3.566 1.708 1.00 0.00 C ATOM 1023 O LEU A 76 1.747 -2.975 1.826 1.00 0.00 O ATOM 1024 CB LEU A 76 4.302 -2.732 -0.126 1.00 0.00 C ATOM 1025 CG LEU A 76 3.275 -1.889 -0.888 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.361 -0.428 -0.465 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.480 -2.023 -2.388 1.00 0.00 C ATOM 0 H LEU A 76 5.885 -3.905 1.401 1.00 0.00 H new ATOM 0 HA LEU A 76 4.011 -1.789 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.295 -2.328 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.285 -3.745 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 76 2.279 -2.259 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.624 0.155 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.162 -0.346 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.359 -0.046 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.741 -1.417 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.481 -1.681 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.365 -3.067 -2.679 1.00 0.00 H new ATOM 1039 N ILE A 77 2.940 -4.879 1.864 1.00 0.00 N ATOM 1040 CA ILE A 77 1.800 -5.707 2.206 1.00 0.00 C ATOM 1041 C ILE A 77 1.264 -5.320 3.595 1.00 0.00 C ATOM 1042 O ILE A 77 0.054 -5.206 3.794 1.00 0.00 O ATOM 1043 CB ILE A 77 2.147 -7.228 2.149 1.00 0.00 C ATOM 1044 CG1 ILE A 77 0.898 -8.087 2.366 1.00 0.00 C ATOM 1045 CG2 ILE A 77 3.237 -7.596 3.150 1.00 0.00 C ATOM 1046 CD1 ILE A 77 -0.093 -8.017 1.221 1.00 0.00 C ATOM 0 H ILE A 77 3.817 -5.388 1.758 1.00 0.00 H new ATOM 0 HA ILE A 77 1.022 -5.528 1.463 1.00 0.00 H new ATOM 0 HB ILE A 77 2.533 -7.434 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.201 -9.124 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.403 -7.769 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.450 -8.663 3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.141 -7.030 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.899 -7.359 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.952 -8.650 1.444 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.425 -6.987 1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.385 -8.364 0.305 1.00 0.00 H new ATOM 1058 N THR A 78 2.181 -5.093 4.537 1.00 0.00 N ATOM 1059 CA THR A 78 1.823 -4.672 5.874 1.00 0.00 C ATOM 1060 C THR A 78 1.208 -3.278 5.832 1.00 0.00 C ATOM 1061 O THR A 78 0.204 -3.011 6.492 1.00 0.00 O ATOM 1062 CB THR A 78 3.068 -4.647 6.780 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.843 -5.832 6.553 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.667 -4.576 8.249 1.00 0.00 C ATOM 0 H THR A 78 3.184 -5.198 4.387 1.00 0.00 H new ATOM 0 HA THR A 78 1.100 -5.381 6.277 1.00 0.00 H new ATOM 0 HB THR A 78 3.658 -3.763 6.539 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.637 -5.818 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.562 -4.559 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.087 -3.670 8.424 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.065 -5.448 8.504 1.00 0.00 H new ATOM 1072 N ALA A 79 1.832 -2.398 5.044 1.00 0.00 N ATOM 1073 CA ALA A 79 1.355 -1.029 4.850 1.00 0.00 C ATOM 1074 C ALA A 79 -0.136 -1.001 4.526 1.00 0.00 C ATOM 1075 O ALA A 79 -0.915 -0.275 5.157 1.00 0.00 O ATOM 1076 CB ALA A 79 2.148 -0.355 3.737 1.00 0.00 C ATOM 0 H ALA A 79 2.682 -2.616 4.523 1.00 0.00 H new ATOM 0 HA ALA A 79 1.505 -0.483 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.787 0.664 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.204 -0.332 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.021 -0.914 2.810 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.526 -1.794 3.549 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.911 -1.880 3.154 1.00 0.00 C ATOM 1084 C ILE A 80 -2.741 -2.558 4.237 1.00 0.00 C ATOM 1085 O ILE A 80 -3.746 -2.016 4.670 1.00 0.00 O ATOM 1086 CB ILE A 80 -2.066 -2.653 1.829 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -1.180 -2.028 0.751 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.524 -2.671 1.381 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -1.263 -2.723 -0.583 1.00 0.00 C ATOM 0 H ILE A 80 0.104 -2.391 3.013 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.272 -0.862 3.010 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.750 -3.684 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.462 -0.983 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.145 -2.040 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.610 -3.222 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.133 -3.156 2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.872 -1.649 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.607 -2.222 -1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.953 -3.762 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.289 -2.688 -0.948 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.287 -3.730 4.683 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.997 -4.538 5.696 1.00 0.00 C ATOM 1103 C ASP A 81 -3.352 -3.739 6.955 1.00 0.00 C ATOM 1104 O ASP A 81 -4.463 -3.811 7.458 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.157 -5.758 6.075 1.00 0.00 C ATOM 1106 CG ASP A 81 -2.745 -6.537 7.230 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.664 -7.357 7.001 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -2.285 -6.344 8.379 1.00 0.00 O ATOM 0 H ASP A 81 -1.418 -4.153 4.357 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.937 -4.856 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.066 -6.414 5.209 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.150 -5.433 6.337 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.413 -2.979 7.443 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.617 -2.190 8.661 1.00 0.00 C ATOM 1115 C ASP A 82 -3.644 -1.082 8.430 1.00 0.00 C ATOM 1116 O ASP A 82 -4.401 -0.711 9.331 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.288 -1.584 9.132 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.427 -0.801 10.421 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.367 -1.416 11.504 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.602 0.436 10.358 1.00 0.00 O ATOM 0 H ASP A 82 -1.488 -2.878 7.025 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.999 -2.856 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.559 -2.382 9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.896 -0.929 8.354 1.00 0.00 H new ATOM 1125 N THR A 83 -3.684 -0.593 7.216 1.00 0.00 N ATOM 1126 CA THR A 83 -4.569 0.492 6.855 1.00 0.00 C ATOM 1127 C THR A 83 -5.961 -0.020 6.477 1.00 0.00 C ATOM 1128 O THR A 83 -6.972 0.525 6.929 1.00 0.00 O ATOM 1129 CB THR A 83 -3.981 1.317 5.701 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.641 1.711 6.039 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.821 2.558 5.440 1.00 0.00 C ATOM 0 H THR A 83 -3.105 -0.934 6.448 1.00 0.00 H new ATOM 0 HA THR A 83 -4.669 1.133 7.731 1.00 0.00 H new ATOM 0 HB THR A 83 -3.978 0.705 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.011 1.030 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.385 3.126 4.618 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.836 2.261 5.177 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.844 3.177 6.337 1.00 0.00 H new ATOM 1139 N MET A 84 -6.014 -1.077 5.662 1.00 0.00 N ATOM 1140 CA MET A 84 -7.293 -1.655 5.262 1.00 0.00 C ATOM 1141 C MET A 84 -8.037 -2.192 6.466 1.00 0.00 C ATOM 1142 O MET A 84 -9.256 -2.197 6.500 1.00 0.00 O ATOM 1143 CB MET A 84 -7.141 -2.732 4.149 1.00 0.00 C ATOM 1144 CG MET A 84 -6.101 -3.833 4.389 1.00 0.00 C ATOM 1145 SD MET A 84 -6.494 -4.959 5.748 1.00 0.00 S ATOM 1146 CE MET A 84 -8.111 -5.521 5.277 1.00 0.00 C ATOM 0 H MET A 84 -5.195 -1.543 5.272 1.00 0.00 H new ATOM 0 HA MET A 84 -7.888 -0.853 4.825 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.111 -3.207 4.002 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.890 -2.225 3.218 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.990 -4.415 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.137 -3.366 4.589 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.196 -6.590 5.473 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.865 -4.985 5.854 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.266 -5.334 4.214 1.00 0.00 H new ATOM 1156 N ARG A 85 -7.287 -2.642 7.449 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.842 -3.110 8.698 1.00 0.00 C ATOM 1158 C ARG A 85 -8.457 -1.950 9.473 1.00 0.00 C ATOM 1159 O ARG A 85 -9.547 -2.069 10.027 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.728 -3.757 9.510 1.00 0.00 C ATOM 1161 CG ARG A 85 -7.098 -4.147 10.918 1.00 0.00 C ATOM 1162 CD ARG A 85 -5.895 -4.733 11.621 1.00 0.00 C ATOM 1163 NE ARG A 85 -6.166 -5.048 13.018 1.00 0.00 N ATOM 1164 CZ ARG A 85 -5.847 -6.206 13.603 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -5.249 -7.167 12.906 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -6.127 -6.404 14.885 1.00 0.00 N ATOM 0 H ARG A 85 -6.269 -2.693 7.402 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.629 -3.839 8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.387 -4.647 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.884 -3.068 9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.460 -3.275 11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.911 -4.873 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.580 -5.638 11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.066 -4.028 11.565 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.629 -4.338 13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -5.032 -7.022 11.920 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.007 -8.049 13.357 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.587 -5.671 15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.883 -7.289 15.330 1.00 0.00 H new ATOM 1180 N ALA A 86 -7.747 -0.832 9.493 1.00 0.00 N ATOM 1181 CA ALA A 86 -8.189 0.355 10.209 1.00 0.00 C ATOM 1182 C ALA A 86 -9.471 0.932 9.622 1.00 0.00 C ATOM 1183 O ALA A 86 -10.417 1.220 10.354 1.00 0.00 O ATOM 1184 CB ALA A 86 -7.094 1.404 10.213 1.00 0.00 C ATOM 0 H ALA A 86 -6.852 -0.722 9.016 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.405 0.056 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.438 2.287 10.752 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.207 1.002 10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.849 1.678 9.187 1.00 0.00 H new ATOM 1190 N ILE A 87 -9.512 1.093 8.305 1.00 0.00 N ATOM 1191 CA ILE A 87 -10.683 1.676 7.649 1.00 0.00 C ATOM 1192 C ILE A 87 -11.718 0.613 7.303 1.00 0.00 C ATOM 1193 O ILE A 87 -12.816 0.927 6.851 1.00 0.00 O ATOM 1194 CB ILE A 87 -10.298 2.452 6.363 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -9.610 1.520 5.353 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -9.401 3.634 6.707 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -9.249 2.193 4.043 1.00 0.00 C ATOM 0 H ILE A 87 -8.756 0.832 7.672 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.117 2.376 8.363 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.209 2.834 5.903 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.704 1.116 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.267 0.675 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.139 4.169 5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.929 4.306 7.383 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.493 3.273 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.768 1.471 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.153 2.572 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.566 3.020 4.235 1.00 0.00 H new ATOM 1209 N GLY A 88 -11.365 -0.639 7.537 1.00 0.00 N ATOM 1210 CA GLY A 88 -12.260 -1.735 7.230 1.00 0.00 C ATOM 1211 C GLY A 88 -13.087 -2.138 8.417 1.00 0.00 C ATOM 1212 O GLY A 88 -13.611 -3.253 8.474 1.00 0.00 O ATOM 0 H GLY A 88 -10.469 -0.919 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.919 -1.446 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.680 -2.591 6.886 1.00 0.00 H new