USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.368) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -113:sc= -0.0396 (180deg=-0.232) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.12) USER MOD Single : A 16 TYR OH : rot 147:sc= 0.448 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 20 ASN : amide:sc= -3.5! C(o=-3.5!,f=-6.3!) USER MOD Single : A 35 MET CE :methyl -176:sc= -0.551 (180deg=-0.605) USER MOD Single : A 36 GLN : amide:sc= -0.0563 K(o=-0.056,f=-1.9!) USER MOD Single : A 37 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.8) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 127:sc= 0.0067 USER MOD Single : A 51 GLN : amide:sc= -0.0333 K(o=-0.033,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 59 ASN : amide:sc= -0.0898 X(o=-0.09,f=-0.038) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 109:sc= 0.00437 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.057 -0.496 3.338 1.00 0.00 N ATOM 2 CA GLY A 1 -24.004 0.390 2.876 1.00 0.00 C ATOM 3 C GLY A 1 -22.692 0.155 3.596 1.00 0.00 C ATOM 4 O GLY A 1 -22.555 0.483 4.774 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.933 -0.296 2.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.775 -1.484 3.176 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.218 -0.344 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.858 0.248 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.314 1.425 3.021 1.00 0.00 H new ATOM 8 N SER A 2 -21.723 -0.417 2.887 1.00 0.00 N ATOM 9 CA SER A 2 -20.416 -0.701 3.468 1.00 0.00 C ATOM 10 C SER A 2 -19.299 -0.150 2.587 1.00 0.00 C ATOM 11 O SER A 2 -19.118 -0.585 1.450 1.00 0.00 O ATOM 12 CB SER A 2 -20.235 -2.209 3.657 1.00 0.00 C ATOM 13 OG SER A 2 -21.197 -2.728 4.559 1.00 0.00 O ATOM 0 H SER A 2 -21.819 -0.693 1.910 1.00 0.00 H new ATOM 0 HA SER A 2 -20.364 -0.211 4.440 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.325 -2.713 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.232 -2.414 4.032 1.00 0.00 H new ATOM 0 HG SER A 2 -21.062 -3.693 4.662 1.00 0.00 H new ATOM 19 N SER A 3 -18.552 0.811 3.122 1.00 0.00 N ATOM 20 CA SER A 3 -17.455 1.425 2.385 1.00 0.00 C ATOM 21 C SER A 3 -16.108 1.029 2.984 1.00 0.00 C ATOM 22 O SER A 3 -15.656 1.616 3.965 1.00 0.00 O ATOM 23 CB SER A 3 -17.599 2.948 2.389 1.00 0.00 C ATOM 24 OG SER A 3 -16.608 3.557 1.579 1.00 0.00 O ATOM 0 H SER A 3 -18.687 1.181 4.063 1.00 0.00 H new ATOM 0 HA SER A 3 -17.496 1.066 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.589 3.224 2.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.518 3.321 3.410 1.00 0.00 H new ATOM 0 HG SER A 3 -16.723 4.530 1.597 1.00 0.00 H new ATOM 30 N GLY A 4 -15.473 0.026 2.384 1.00 0.00 N ATOM 31 CA GLY A 4 -14.186 -0.433 2.871 1.00 0.00 C ATOM 32 C GLY A 4 -14.217 -0.791 4.343 1.00 0.00 C ATOM 33 O GLY A 4 -13.738 -0.030 5.185 1.00 0.00 O ATOM 0 H GLY A 4 -15.827 -0.476 1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.873 -1.304 2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.440 0.344 2.705 1.00 0.00 H new ATOM 37 N SER A 5 -14.783 -1.952 4.656 1.00 0.00 N ATOM 38 CA SER A 5 -14.879 -2.407 6.038 1.00 0.00 C ATOM 39 C SER A 5 -13.667 -3.253 6.418 1.00 0.00 C ATOM 40 O SER A 5 -12.948 -2.935 7.365 1.00 0.00 O ATOM 41 CB SER A 5 -16.163 -3.215 6.243 1.00 0.00 C ATOM 42 OG SER A 5 -17.242 -2.372 6.608 1.00 0.00 O ATOM 0 H SER A 5 -15.182 -2.595 3.972 1.00 0.00 H new ATOM 0 HA SER A 5 -14.903 -1.528 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.410 -3.751 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.005 -3.965 7.018 1.00 0.00 H new ATOM 0 HG SER A 5 -18.051 -2.911 6.732 1.00 0.00 H new ATOM 48 N SER A 6 -13.449 -4.331 5.672 1.00 0.00 N ATOM 49 CA SER A 6 -12.326 -5.225 5.932 1.00 0.00 C ATOM 50 C SER A 6 -11.101 -4.808 5.123 1.00 0.00 C ATOM 51 O SER A 6 -11.220 -4.158 4.086 1.00 0.00 O ATOM 52 CB SER A 6 -12.708 -6.668 5.595 1.00 0.00 C ATOM 53 OG SER A 6 -11.788 -7.584 6.161 1.00 0.00 O ATOM 0 H SER A 6 -14.034 -4.607 4.883 1.00 0.00 H new ATOM 0 HA SER A 6 -12.079 -5.160 6.992 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.711 -6.878 5.967 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.736 -6.797 4.513 1.00 0.00 H new ATOM 0 HG SER A 6 -12.055 -8.499 5.933 1.00 0.00 H new ATOM 59 N GLY A 7 -9.923 -5.189 5.608 1.00 0.00 N ATOM 60 CA GLY A 7 -8.692 -4.846 4.919 1.00 0.00 C ATOM 61 C GLY A 7 -7.711 -6.000 4.878 1.00 0.00 C ATOM 62 O GLY A 7 -7.438 -6.631 5.900 1.00 0.00 O ATOM 0 H GLY A 7 -9.799 -5.728 6.465 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.924 -4.534 3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.226 -3.995 5.415 1.00 0.00 H new ATOM 66 N THR A 8 -7.178 -6.280 3.692 1.00 0.00 N ATOM 67 CA THR A 8 -6.223 -7.368 3.521 1.00 0.00 C ATOM 68 C THR A 8 -4.809 -6.919 3.871 1.00 0.00 C ATOM 69 O THR A 8 -4.381 -5.815 3.535 1.00 0.00 O ATOM 70 CB THR A 8 -6.236 -7.904 2.077 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.532 -8.426 1.760 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.188 -8.992 1.894 1.00 0.00 C ATOM 0 H THR A 8 -7.392 -5.768 2.836 1.00 0.00 H new ATOM 0 HA THR A 8 -6.527 -8.165 4.200 1.00 0.00 H new ATOM 0 HB THR A 8 -6.002 -7.079 1.405 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.533 -8.763 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.216 -9.355 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.200 -8.585 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.396 -9.816 2.576 1.00 0.00 H new ATOM 80 N PRO A 9 -4.064 -7.794 4.563 1.00 0.00 N ATOM 81 CA PRO A 9 -2.686 -7.509 4.973 1.00 0.00 C ATOM 82 C PRO A 9 -1.724 -7.476 3.790 1.00 0.00 C ATOM 83 O PRO A 9 -1.895 -8.213 2.819 1.00 0.00 O ATOM 84 CB PRO A 9 -2.346 -8.674 5.906 1.00 0.00 C ATOM 85 CG PRO A 9 -3.241 -9.782 5.471 1.00 0.00 C ATOM 86 CD PRO A 9 -4.510 -9.128 4.998 1.00 0.00 C ATOM 0 HA PRO A 9 -2.594 -6.529 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.297 -8.956 5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.521 -8.410 6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.781 -10.364 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.439 -10.469 6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.969 -9.685 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.251 -9.064 5.795 1.00 0.00 H new ATOM 94 N TYR A 10 -0.714 -6.619 3.879 1.00 0.00 N ATOM 95 CA TYR A 10 0.274 -6.489 2.815 1.00 0.00 C ATOM 96 C TYR A 10 1.657 -6.192 3.388 1.00 0.00 C ATOM 97 O TYR A 10 1.814 -6.004 4.594 1.00 0.00 O ATOM 98 CB TYR A 10 -0.135 -5.381 1.843 1.00 0.00 C ATOM 99 CG TYR A 10 -1.002 -5.865 0.702 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.341 -6.174 0.905 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.481 -6.015 -0.577 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.137 -6.618 -0.134 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.270 -6.457 -1.622 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.597 -6.757 -1.395 1.00 0.00 C ATOM 105 OH TYR A 10 -3.385 -7.199 -2.433 1.00 0.00 O ATOM 0 H TYR A 10 -0.558 -6.004 4.677 1.00 0.00 H new ATOM 0 HA TYR A 10 0.318 -7.437 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.671 -4.607 2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.763 -4.918 1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.767 -6.065 1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.558 -5.782 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.176 -6.855 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.850 -6.567 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.852 -7.240 -3.254 1.00 0.00 H new ATOM 115 N ARG A 11 2.656 -6.153 2.513 1.00 0.00 N ATOM 116 CA ARG A 11 4.026 -5.880 2.930 1.00 0.00 C ATOM 117 C ARG A 11 4.774 -5.091 1.860 1.00 0.00 C ATOM 118 O ARG A 11 4.890 -5.532 0.717 1.00 0.00 O ATOM 119 CB ARG A 11 4.763 -7.189 3.222 1.00 0.00 C ATOM 120 CG ARG A 11 6.252 -7.007 3.468 1.00 0.00 C ATOM 121 CD ARG A 11 6.813 -8.123 4.337 1.00 0.00 C ATOM 122 NE ARG A 11 8.249 -8.299 4.141 1.00 0.00 N ATOM 123 CZ ARG A 11 8.786 -8.766 3.019 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.009 -9.100 1.998 1.00 0.00 N ATOM 125 NH2 ARG A 11 10.102 -8.898 2.917 1.00 0.00 N ATOM 0 H ARG A 11 2.543 -6.307 1.511 1.00 0.00 H new ATOM 0 HA ARG A 11 3.989 -5.280 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.314 -7.662 4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.622 -7.870 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.780 -6.986 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.428 -6.045 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.615 -7.901 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.298 -9.056 4.106 1.00 0.00 H new ATOM 0 HE ARG A 11 8.874 -8.050 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.997 -8.999 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.423 -9.458 1.138 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.703 -8.641 3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.513 -9.257 2.055 1.00 0.00 H new ATOM 139 N ALA A 12 5.279 -3.921 2.239 1.00 0.00 N ATOM 140 CA ALA A 12 6.017 -3.071 1.312 1.00 0.00 C ATOM 141 C ALA A 12 7.336 -3.718 0.905 1.00 0.00 C ATOM 142 O ALA A 12 8.292 -3.740 1.679 1.00 0.00 O ATOM 143 CB ALA A 12 6.266 -1.705 1.934 1.00 0.00 C ATOM 0 H ALA A 12 5.191 -3.540 3.181 1.00 0.00 H new ATOM 0 HA ALA A 12 5.413 -2.944 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.818 -1.080 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.312 -1.232 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.847 -1.822 2.849 1.00 0.00 H new ATOM 149 N MET A 13 7.380 -4.246 -0.314 1.00 0.00 N ATOM 150 CA MET A 13 8.583 -4.893 -0.823 1.00 0.00 C ATOM 151 C MET A 13 9.730 -3.894 -0.940 1.00 0.00 C ATOM 152 O MET A 13 10.901 -4.267 -0.865 1.00 0.00 O ATOM 153 CB MET A 13 8.307 -5.532 -2.186 1.00 0.00 C ATOM 154 CG MET A 13 7.113 -6.473 -2.185 1.00 0.00 C ATOM 155 SD MET A 13 7.214 -7.724 -3.478 1.00 0.00 S ATOM 156 CE MET A 13 6.404 -6.877 -4.833 1.00 0.00 C ATOM 0 H MET A 13 6.597 -4.238 -0.967 1.00 0.00 H new ATOM 0 HA MET A 13 8.873 -5.671 -0.117 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.138 -4.744 -2.920 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.192 -6.081 -2.507 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.043 -6.964 -1.214 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.199 -5.894 -2.316 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.465 -7.379 -5.066 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.203 -5.844 -4.548 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.051 -6.892 -5.710 1.00 0.00 H new ATOM 166 N TYR A 14 9.386 -2.624 -1.125 1.00 0.00 N ATOM 167 CA TYR A 14 10.387 -1.573 -1.255 1.00 0.00 C ATOM 168 C TYR A 14 9.871 -0.255 -0.685 1.00 0.00 C ATOM 169 O TYR A 14 8.721 0.122 -0.910 1.00 0.00 O ATOM 170 CB TYR A 14 10.776 -1.388 -2.723 1.00 0.00 C ATOM 171 CG TYR A 14 10.735 -2.669 -3.526 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.767 -3.595 -3.446 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.664 -2.952 -4.365 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.735 -4.766 -4.178 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.623 -4.122 -5.099 1.00 0.00 C ATOM 176 CZ TYR A 14 10.660 -5.025 -5.002 1.00 0.00 C ATOM 177 OH TYR A 14 10.623 -6.190 -5.734 1.00 0.00 O ATOM 0 H TYR A 14 8.422 -2.298 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 14 11.268 -1.874 -0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.104 -0.661 -3.179 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.781 -0.969 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.609 -3.396 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.851 -2.246 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.547 -5.474 -4.105 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.783 -4.328 -5.745 1.00 0.00 H new ATOM 0 HH TYR A 14 9.798 -6.219 -6.262 1.00 0.00 H new ATOM 187 N GLN A 15 10.730 0.439 0.054 1.00 0.00 N ATOM 188 CA GLN A 15 10.361 1.715 0.657 1.00 0.00 C ATOM 189 C GLN A 15 9.852 2.690 -0.399 1.00 0.00 C ATOM 190 O GLN A 15 10.337 2.702 -1.531 1.00 0.00 O ATOM 191 CB GLN A 15 11.558 2.320 1.393 1.00 0.00 C ATOM 192 CG GLN A 15 11.279 3.694 1.980 1.00 0.00 C ATOM 193 CD GLN A 15 12.504 4.313 2.624 1.00 0.00 C ATOM 194 OE1 GLN A 15 13.539 4.483 1.980 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.393 4.653 3.903 1.00 0.00 N ATOM 0 H GLN A 15 11.685 0.140 0.250 1.00 0.00 H new ATOM 0 HA GLN A 15 9.559 1.532 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.860 1.646 2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.399 2.392 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.914 4.354 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.485 3.613 2.722 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.516 4.494 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.185 5.073 4.390 1.00 0.00 H new ATOM 204 N TYR A 16 8.873 3.504 -0.023 1.00 0.00 N ATOM 205 CA TYR A 16 8.296 4.481 -0.939 1.00 0.00 C ATOM 206 C TYR A 16 8.418 5.894 -0.377 1.00 0.00 C ATOM 207 O TYR A 16 8.078 6.146 0.779 1.00 0.00 O ATOM 208 CB TYR A 16 6.827 4.153 -1.209 1.00 0.00 C ATOM 209 CG TYR A 16 6.177 5.071 -2.219 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.346 4.868 -3.583 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.392 6.142 -1.809 1.00 0.00 C ATOM 212 CE1 TYR A 16 5.755 5.705 -4.509 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.796 6.984 -2.728 1.00 0.00 C ATOM 214 CZ TYR A 16 4.981 6.762 -4.077 1.00 0.00 C ATOM 215 OH TYR A 16 4.389 7.597 -4.996 1.00 0.00 O ATOM 0 H TYR A 16 8.462 3.507 0.910 1.00 0.00 H new ATOM 0 HA TYR A 16 8.850 4.433 -1.876 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.752 3.125 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.273 4.208 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.950 4.041 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.245 6.319 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.898 5.533 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.189 7.811 -2.392 1.00 0.00 H new ATOM 0 HH TYR A 16 3.531 7.914 -4.645 1.00 0.00 H new ATOM 225 N ARG A 17 8.906 6.813 -1.203 1.00 0.00 N ATOM 226 CA ARG A 17 9.075 8.201 -0.790 1.00 0.00 C ATOM 227 C ARG A 17 8.014 9.091 -1.431 1.00 0.00 C ATOM 228 O ARG A 17 8.211 9.657 -2.507 1.00 0.00 O ATOM 229 CB ARG A 17 10.471 8.701 -1.165 1.00 0.00 C ATOM 230 CG ARG A 17 11.570 8.180 -0.254 1.00 0.00 C ATOM 231 CD ARG A 17 12.719 9.169 -0.144 1.00 0.00 C ATOM 232 NE ARG A 17 13.736 8.724 0.805 1.00 0.00 N ATOM 233 CZ ARG A 17 14.579 9.547 1.419 1.00 0.00 C ATOM 234 NH1 ARG A 17 14.526 10.851 1.185 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.477 9.066 2.269 1.00 0.00 N ATOM 0 H ARG A 17 9.192 6.621 -2.163 1.00 0.00 H new ATOM 0 HA ARG A 17 8.959 8.249 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.690 8.405 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.476 9.791 -1.140 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.160 7.985 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.942 7.230 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.174 9.306 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.333 10.140 0.167 1.00 0.00 H new ATOM 0 HE ARG A 17 13.803 7.727 1.008 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.837 11.224 0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.174 11.481 1.658 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.521 8.063 2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.124 9.699 2.740 1.00 0.00 H new ATOM 249 N PRO A 18 6.862 9.219 -0.757 1.00 0.00 N ATOM 250 CA PRO A 18 5.748 10.039 -1.242 1.00 0.00 C ATOM 251 C PRO A 18 6.059 11.530 -1.186 1.00 0.00 C ATOM 252 O PRO A 18 6.361 12.071 -0.123 1.00 0.00 O ATOM 253 CB PRO A 18 4.608 9.694 -0.279 1.00 0.00 C ATOM 254 CG PRO A 18 5.289 9.250 0.970 1.00 0.00 C ATOM 255 CD PRO A 18 6.558 8.573 0.531 1.00 0.00 C ATOM 0 HA PRO A 18 5.517 9.836 -2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.969 10.558 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.972 8.907 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.504 10.098 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.658 8.566 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.362 8.719 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.421 7.497 0.419 1.00 0.00 H new ATOM 263 N GLN A 19 5.982 12.189 -2.338 1.00 0.00 N ATOM 264 CA GLN A 19 6.256 13.619 -2.419 1.00 0.00 C ATOM 265 C GLN A 19 5.087 14.430 -1.870 1.00 0.00 C ATOM 266 O GLN A 19 5.252 15.578 -1.463 1.00 0.00 O ATOM 267 CB GLN A 19 6.538 14.024 -3.867 1.00 0.00 C ATOM 268 CG GLN A 19 7.803 13.403 -4.437 1.00 0.00 C ATOM 269 CD GLN A 19 7.926 13.600 -5.935 1.00 0.00 C ATOM 270 OE1 GLN A 19 6.975 13.372 -6.683 1.00 0.00 O ATOM 271 NE2 GLN A 19 9.101 14.027 -6.382 1.00 0.00 N ATOM 0 H GLN A 19 5.732 11.756 -3.227 1.00 0.00 H new ATOM 0 HA GLN A 19 7.136 13.829 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.690 13.735 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.619 15.110 -3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.672 13.840 -3.944 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.813 12.336 -4.213 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.862 14.204 -5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.242 14.178 -7.381 1.00 0.00 H new ATOM 280 N ASN A 20 3.904 13.823 -1.864 1.00 0.00 N ATOM 281 CA ASN A 20 2.706 14.489 -1.366 1.00 0.00 C ATOM 282 C ASN A 20 2.055 13.676 -0.251 1.00 0.00 C ATOM 283 O ASN A 20 2.236 12.461 -0.169 1.00 0.00 O ATOM 284 CB ASN A 20 1.708 14.706 -2.504 1.00 0.00 C ATOM 285 CG ASN A 20 0.385 15.263 -2.015 1.00 0.00 C ATOM 286 OD1 ASN A 20 0.349 16.125 -1.137 1.00 0.00 O ATOM 287 ND2 ASN A 20 -0.710 14.771 -2.582 1.00 0.00 N ATOM 0 H ASN A 20 3.750 12.872 -2.198 1.00 0.00 H new ATOM 0 HA ASN A 20 3.000 15.457 -0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.139 15.390 -3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.534 13.760 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.629 15.107 -2.293 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.632 14.057 -3.306 1.00 0.00 H new ATOM 294 N GLU A 21 1.297 14.355 0.604 1.00 0.00 N ATOM 295 CA GLU A 21 0.619 13.694 1.713 1.00 0.00 C ATOM 296 C GLU A 21 -0.345 12.626 1.204 1.00 0.00 C ATOM 297 O GLU A 21 -0.335 11.490 1.677 1.00 0.00 O ATOM 298 CB GLU A 21 -0.139 14.719 2.559 1.00 0.00 C ATOM 299 CG GLU A 21 -1.194 15.489 1.783 1.00 0.00 C ATOM 300 CD GLU A 21 -1.834 16.592 2.603 1.00 0.00 C ATOM 301 OE1 GLU A 21 -2.227 16.321 3.757 1.00 0.00 O ATOM 302 OE2 GLU A 21 -1.941 17.726 2.092 1.00 0.00 O ATOM 0 H GLU A 21 1.137 15.361 0.550 1.00 0.00 H new ATOM 0 HA GLU A 21 1.375 13.210 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.617 14.206 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.574 15.425 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.740 15.921 0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.966 14.798 1.445 1.00 0.00 H new ATOM 309 N ASP A 22 -1.176 13.001 0.238 1.00 0.00 N ATOM 310 CA ASP A 22 -2.147 12.076 -0.336 1.00 0.00 C ATOM 311 C ASP A 22 -1.572 10.665 -0.416 1.00 0.00 C ATOM 312 O ASP A 22 -2.227 9.696 -0.036 1.00 0.00 O ATOM 313 CB ASP A 22 -2.570 12.547 -1.728 1.00 0.00 C ATOM 314 CG ASP A 22 -3.430 13.795 -1.680 1.00 0.00 C ATOM 315 OD1 ASP A 22 -4.187 13.956 -0.700 1.00 0.00 O ATOM 316 OD2 ASP A 22 -3.345 14.611 -2.622 1.00 0.00 O ATOM 0 H ASP A 22 -1.197 13.938 -0.164 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.022 12.056 0.314 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.681 12.744 -2.327 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.120 11.749 -2.227 1.00 0.00 H new ATOM 321 N GLU A 23 -0.344 10.560 -0.914 1.00 0.00 N ATOM 322 CA GLU A 23 0.318 9.267 -1.046 1.00 0.00 C ATOM 323 C GLU A 23 0.779 8.751 0.314 1.00 0.00 C ATOM 324 O GLU A 23 1.224 9.522 1.165 1.00 0.00 O ATOM 325 CB GLU A 23 1.514 9.375 -1.995 1.00 0.00 C ATOM 326 CG GLU A 23 1.185 10.057 -3.313 1.00 0.00 C ATOM 327 CD GLU A 23 2.380 10.133 -4.243 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.312 10.910 -3.949 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.383 9.416 -5.266 1.00 0.00 O ATOM 0 H GLU A 23 0.212 11.354 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.401 8.560 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.312 9.927 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.897 8.375 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.378 9.515 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.818 11.064 -3.115 1.00 0.00 H new ATOM 336 N LEU A 24 0.668 7.442 0.512 1.00 0.00 N ATOM 337 CA LEU A 24 1.073 6.821 1.768 1.00 0.00 C ATOM 338 C LEU A 24 2.518 6.337 1.696 1.00 0.00 C ATOM 339 O LEU A 24 2.917 5.686 0.731 1.00 0.00 O ATOM 340 CB LEU A 24 0.147 5.650 2.102 1.00 0.00 C ATOM 341 CG LEU A 24 0.116 5.216 3.568 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.477 6.314 4.437 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.672 3.924 3.726 1.00 0.00 C ATOM 0 H LEU A 24 0.301 6.790 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 24 1.000 7.571 2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.866 5.917 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.444 4.794 1.497 1.00 0.00 H new ATOM 0 HG LEU A 24 1.140 5.035 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.491 5.987 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.129 7.216 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.495 6.527 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.683 3.631 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.695 4.077 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.203 3.137 3.134 1.00 0.00 H new ATOM 355 N GLU A 25 3.296 6.659 2.725 1.00 0.00 N ATOM 356 CA GLU A 25 4.696 6.255 2.778 1.00 0.00 C ATOM 357 C GLU A 25 4.824 4.782 3.153 1.00 0.00 C ATOM 358 O GLU A 25 4.002 4.245 3.896 1.00 0.00 O ATOM 359 CB GLU A 25 5.461 7.117 3.785 1.00 0.00 C ATOM 360 CG GLU A 25 6.962 7.138 3.552 1.00 0.00 C ATOM 361 CD GLU A 25 7.638 8.326 4.209 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.469 8.503 5.433 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.337 9.078 3.498 1.00 0.00 O ATOM 0 H GLU A 25 2.981 7.198 3.532 1.00 0.00 H new ATOM 0 HA GLU A 25 5.126 6.398 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.081 8.137 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.263 6.747 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.399 6.217 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.159 7.159 2.480 1.00 0.00 H new ATOM 370 N LEU A 26 5.861 4.133 2.633 1.00 0.00 N ATOM 371 CA LEU A 26 6.097 2.721 2.913 1.00 0.00 C ATOM 372 C LEU A 26 7.530 2.491 3.382 1.00 0.00 C ATOM 373 O LEU A 26 8.373 3.384 3.294 1.00 0.00 O ATOM 374 CB LEU A 26 5.816 1.880 1.666 1.00 0.00 C ATOM 375 CG LEU A 26 4.370 1.882 1.168 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.267 1.171 -0.172 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.452 1.230 2.192 1.00 0.00 C ATOM 0 H LEU A 26 6.551 4.562 2.016 1.00 0.00 H new ATOM 0 HA LEU A 26 5.420 2.416 3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.458 2.236 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.107 0.850 1.873 1.00 0.00 H new ATOM 0 HG LEU A 26 4.054 2.916 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.231 1.182 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.894 1.681 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.602 0.140 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.427 1.240 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.767 0.200 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.503 1.782 3.130 1.00 0.00 H new ATOM 389 N ARG A 27 7.800 1.288 3.878 1.00 0.00 N ATOM 390 CA ARG A 27 9.131 0.941 4.360 1.00 0.00 C ATOM 391 C ARG A 27 9.456 -0.519 4.055 1.00 0.00 C ATOM 392 O ARG A 27 8.616 -1.401 4.233 1.00 0.00 O ATOM 393 CB ARG A 27 9.234 1.194 5.865 1.00 0.00 C ATOM 394 CG ARG A 27 10.573 0.791 6.460 1.00 0.00 C ATOM 395 CD ARG A 27 11.618 1.879 6.269 1.00 0.00 C ATOM 396 NE ARG A 27 12.353 1.719 5.018 1.00 0.00 N ATOM 397 CZ ARG A 27 13.305 0.810 4.836 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.635 -0.015 5.820 1.00 0.00 N ATOM 399 NH2 ARG A 27 13.929 0.726 3.668 1.00 0.00 N ATOM 0 H ARG A 27 7.114 0.537 3.957 1.00 0.00 H new ATOM 0 HA ARG A 27 9.853 1.572 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.064 2.253 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.441 0.645 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.452 0.584 7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.917 -0.132 5.993 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.132 2.855 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.317 1.861 7.105 1.00 0.00 H new ATOM 0 HE ARG A 27 12.123 2.339 4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.158 0.047 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.366 -0.712 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.678 1.360 2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.660 0.028 3.529 1.00 0.00 H new ATOM 413 N GLU A 28 10.678 -0.764 3.595 1.00 0.00 N ATOM 414 CA GLU A 28 11.112 -2.117 3.265 1.00 0.00 C ATOM 415 C GLU A 28 10.958 -3.046 4.465 1.00 0.00 C ATOM 416 O GLU A 28 11.711 -2.957 5.434 1.00 0.00 O ATOM 417 CB GLU A 28 12.569 -2.109 2.796 1.00 0.00 C ATOM 418 CG GLU A 28 13.000 -3.403 2.127 1.00 0.00 C ATOM 419 CD GLU A 28 14.503 -3.604 2.160 1.00 0.00 C ATOM 420 OE1 GLU A 28 15.190 -3.092 1.251 1.00 0.00 O ATOM 421 OE2 GLU A 28 14.992 -4.273 3.094 1.00 0.00 O ATOM 0 H GLU A 28 11.385 -0.045 3.442 1.00 0.00 H new ATOM 0 HA GLU A 28 10.480 -2.487 2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.713 -1.284 2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.216 -1.919 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.514 -4.243 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.660 -3.403 1.091 1.00 0.00 H new ATOM 428 N GLY A 29 9.974 -3.938 4.393 1.00 0.00 N ATOM 429 CA GLY A 29 9.737 -4.870 5.480 1.00 0.00 C ATOM 430 C GLY A 29 8.679 -4.377 6.446 1.00 0.00 C ATOM 431 O GLY A 29 8.740 -4.662 7.643 1.00 0.00 O ATOM 0 H GLY A 29 9.337 -4.032 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.430 -5.832 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.669 -5.037 6.021 1.00 0.00 H new ATOM 435 N ASP A 30 7.707 -3.635 5.928 1.00 0.00 N ATOM 436 CA ASP A 30 6.630 -3.100 6.754 1.00 0.00 C ATOM 437 C ASP A 30 5.274 -3.607 6.274 1.00 0.00 C ATOM 438 O ASP A 30 5.045 -3.756 5.073 1.00 0.00 O ATOM 439 CB ASP A 30 6.654 -1.571 6.733 1.00 0.00 C ATOM 440 CG ASP A 30 7.516 -0.991 7.836 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.731 -1.280 7.855 1.00 0.00 O ATOM 442 OD2 ASP A 30 6.977 -0.246 8.681 1.00 0.00 O ATOM 0 H ASP A 30 7.642 -3.390 4.940 1.00 0.00 H new ATOM 0 HA ASP A 30 6.785 -3.444 7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.026 -1.230 5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.637 -1.193 6.834 1.00 0.00 H new ATOM 447 N ARG A 31 4.378 -3.871 7.219 1.00 0.00 N ATOM 448 CA ARG A 31 3.045 -4.363 6.893 1.00 0.00 C ATOM 449 C ARG A 31 2.140 -3.222 6.437 1.00 0.00 C ATOM 450 O ARG A 31 2.291 -2.082 6.877 1.00 0.00 O ATOM 451 CB ARG A 31 2.427 -5.066 8.103 1.00 0.00 C ATOM 452 CG ARG A 31 3.053 -6.417 8.408 1.00 0.00 C ATOM 453 CD ARG A 31 2.569 -7.486 7.441 1.00 0.00 C ATOM 454 NE ARG A 31 3.485 -8.623 7.379 1.00 0.00 N ATOM 455 CZ ARG A 31 3.537 -9.575 8.304 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.730 -9.528 9.355 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.397 -10.578 8.178 1.00 0.00 N ATOM 0 H ARG A 31 4.551 -3.752 8.217 1.00 0.00 H new ATOM 0 HA ARG A 31 3.139 -5.078 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.528 -4.423 8.977 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.360 -5.201 7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.139 -6.338 8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.808 -6.711 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.582 -7.832 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.461 -7.053 6.447 1.00 0.00 H new ATOM 0 HE ARG A 31 4.119 -8.689 6.582 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.067 -8.759 9.455 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.772 -10.260 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.019 -10.618 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.436 -11.309 8.889 1.00 0.00 H new ATOM 471 N VAL A 32 1.200 -3.536 5.551 1.00 0.00 N ATOM 472 CA VAL A 32 0.271 -2.538 5.036 1.00 0.00 C ATOM 473 C VAL A 32 -1.143 -3.100 4.942 1.00 0.00 C ATOM 474 O VAL A 32 -1.344 -4.234 4.506 1.00 0.00 O ATOM 475 CB VAL A 32 0.704 -2.032 3.647 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.041 -0.755 3.288 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.209 -1.811 3.606 1.00 0.00 C ATOM 0 H VAL A 32 1.062 -4.474 5.175 1.00 0.00 H new ATOM 0 HA VAL A 32 0.281 -1.704 5.738 1.00 0.00 H new ATOM 0 HB VAL A 32 0.451 -2.792 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.278 -0.412 2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.113 -0.951 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.178 0.014 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.497 -1.454 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.489 -1.071 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.721 -2.750 3.816 1.00 0.00 H new ATOM 487 N ASP A 33 -2.120 -2.299 5.353 1.00 0.00 N ATOM 488 CA ASP A 33 -3.517 -2.716 5.313 1.00 0.00 C ATOM 489 C ASP A 33 -4.211 -2.176 4.067 1.00 0.00 C ATOM 490 O ASP A 33 -4.490 -0.981 3.967 1.00 0.00 O ATOM 491 CB ASP A 33 -4.250 -2.237 6.568 1.00 0.00 C ATOM 492 CG ASP A 33 -3.956 -3.104 7.776 1.00 0.00 C ATOM 493 OD1 ASP A 33 -2.772 -3.433 7.997 1.00 0.00 O ATOM 494 OD2 ASP A 33 -4.911 -3.452 8.502 1.00 0.00 O ATOM 0 H ASP A 33 -1.971 -1.358 5.717 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.544 -3.805 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.961 -1.208 6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.324 -2.234 6.379 1.00 0.00 H new ATOM 499 N VAL A 34 -4.485 -3.064 3.116 1.00 0.00 N ATOM 500 CA VAL A 34 -5.146 -2.677 1.876 1.00 0.00 C ATOM 501 C VAL A 34 -6.640 -2.972 1.933 1.00 0.00 C ATOM 502 O VAL A 34 -7.051 -4.085 2.262 1.00 0.00 O ATOM 503 CB VAL A 34 -4.536 -3.406 0.664 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.475 -3.335 -0.531 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.175 -2.820 0.319 1.00 0.00 C ATOM 0 H VAL A 34 -4.259 -4.057 3.181 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.995 -1.604 1.759 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.398 -4.455 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.027 -3.855 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.424 -3.807 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.648 -2.292 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.759 -3.347 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.285 -1.763 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.505 -2.930 1.172 1.00 0.00 H new ATOM 515 N MET A 35 -7.449 -1.968 1.611 1.00 0.00 N ATOM 516 CA MET A 35 -8.899 -2.121 1.625 1.00 0.00 C ATOM 517 C MET A 35 -9.477 -1.956 0.223 1.00 0.00 C ATOM 518 O MET A 35 -10.246 -2.796 -0.243 1.00 0.00 O ATOM 519 CB MET A 35 -9.532 -1.100 2.573 1.00 0.00 C ATOM 520 CG MET A 35 -9.117 -1.280 4.024 1.00 0.00 C ATOM 521 SD MET A 35 -9.583 0.122 5.059 1.00 0.00 S ATOM 522 CE MET A 35 -7.973 0.696 5.595 1.00 0.00 C ATOM 0 H MET A 35 -7.125 -1.040 1.337 1.00 0.00 H new ATOM 0 HA MET A 35 -9.130 -3.126 1.978 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.259 -0.096 2.247 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.617 -1.174 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.575 -2.187 4.419 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.037 -1.421 4.074 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.096 1.517 6.301 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.438 -0.121 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.404 1.042 4.732 1.00 0.00 H new ATOM 532 N GLN A 36 -9.100 -0.869 -0.443 1.00 0.00 N ATOM 533 CA GLN A 36 -9.582 -0.595 -1.792 1.00 0.00 C ATOM 534 C GLN A 36 -8.448 -0.696 -2.806 1.00 0.00 C ATOM 535 O GLN A 36 -7.296 -0.399 -2.493 1.00 0.00 O ATOM 536 CB GLN A 36 -10.218 0.795 -1.856 1.00 0.00 C ATOM 537 CG GLN A 36 -10.571 1.238 -3.267 1.00 0.00 C ATOM 538 CD GLN A 36 -10.738 2.740 -3.383 1.00 0.00 C ATOM 539 OE1 GLN A 36 -10.404 3.486 -2.462 1.00 0.00 O ATOM 540 NE2 GLN A 36 -11.255 3.193 -4.519 1.00 0.00 N ATOM 0 H GLN A 36 -8.463 -0.165 -0.071 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.335 -1.343 -2.041 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.121 0.801 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.532 1.520 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.790 0.909 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.494 0.749 -3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.518 2.539 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.389 4.195 -4.654 1.00 0.00 H new ATOM 549 N GLN A 37 -8.784 -1.116 -4.022 1.00 0.00 N ATOM 550 CA GLN A 37 -7.792 -1.257 -5.081 1.00 0.00 C ATOM 551 C GLN A 37 -8.115 -0.338 -6.255 1.00 0.00 C ATOM 552 O GLN A 37 -9.275 0.010 -6.482 1.00 0.00 O ATOM 553 CB GLN A 37 -7.727 -2.709 -5.558 1.00 0.00 C ATOM 554 CG GLN A 37 -7.705 -3.722 -4.424 1.00 0.00 C ATOM 555 CD GLN A 37 -7.451 -5.135 -4.909 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.997 -5.346 -6.034 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.743 -6.114 -4.060 1.00 0.00 N ATOM 0 H GLN A 37 -9.734 -1.364 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.821 -0.971 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.586 -2.911 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.835 -2.842 -6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.932 -3.443 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.657 -3.689 -3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.118 -5.894 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.593 -7.086 -4.331 1.00 0.00 H new ATOM 566 N CYS A 38 -7.084 0.051 -6.996 1.00 0.00 N ATOM 567 CA CYS A 38 -7.259 0.931 -8.147 1.00 0.00 C ATOM 568 C CYS A 38 -7.271 0.132 -9.446 1.00 0.00 C ATOM 569 O CYS A 38 -6.558 -0.863 -9.581 1.00 0.00 O ATOM 570 CB CYS A 38 -6.144 1.977 -8.188 1.00 0.00 C ATOM 571 SG CYS A 38 -6.562 3.465 -9.127 1.00 0.00 S ATOM 0 H CYS A 38 -6.119 -0.228 -6.821 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.219 1.437 -8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.892 2.264 -7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.252 1.525 -8.622 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.558 4.290 -9.102 1.00 0.00 H new ATOM 577 N ASP A 39 -8.086 0.573 -10.398 1.00 0.00 N ATOM 578 CA ASP A 39 -8.191 -0.102 -11.686 1.00 0.00 C ATOM 579 C ASP A 39 -6.849 -0.101 -12.412 1.00 0.00 C ATOM 580 O ASP A 39 -6.506 -1.059 -13.104 1.00 0.00 O ATOM 581 CB ASP A 39 -9.255 0.574 -12.554 1.00 0.00 C ATOM 582 CG ASP A 39 -8.693 1.722 -13.369 1.00 0.00 C ATOM 583 OD1 ASP A 39 -8.690 2.864 -12.863 1.00 0.00 O ATOM 584 OD2 ASP A 39 -8.256 1.479 -14.513 1.00 0.00 O ATOM 0 H ASP A 39 -8.683 1.394 -10.302 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.484 -1.136 -11.504 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.694 -0.164 -13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.058 0.944 -11.917 1.00 0.00 H new ATOM 589 N ASP A 40 -6.096 0.981 -12.249 1.00 0.00 N ATOM 590 CA ASP A 40 -4.791 1.107 -12.889 1.00 0.00 C ATOM 591 C ASP A 40 -3.795 0.118 -12.291 1.00 0.00 C ATOM 592 O ASP A 40 -2.965 -0.448 -13.001 1.00 0.00 O ATOM 593 CB ASP A 40 -4.263 2.535 -12.741 1.00 0.00 C ATOM 594 CG ASP A 40 -3.342 2.932 -13.877 1.00 0.00 C ATOM 595 OD1 ASP A 40 -3.839 3.106 -15.010 1.00 0.00 O ATOM 596 OD2 ASP A 40 -2.124 3.069 -13.635 1.00 0.00 O ATOM 0 H ASP A 40 -6.366 1.783 -11.680 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.909 0.880 -13.948 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.104 3.228 -12.700 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.729 2.626 -11.795 1.00 0.00 H new ATOM 601 N GLY A 41 -3.883 -0.083 -10.979 1.00 0.00 N ATOM 602 CA GLY A 41 -2.984 -1.003 -10.308 1.00 0.00 C ATOM 603 C GLY A 41 -2.637 -0.553 -8.903 1.00 0.00 C ATOM 604 O GLY A 41 -2.319 -1.373 -8.042 1.00 0.00 O ATOM 0 H GLY A 41 -4.561 0.375 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.444 -1.990 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.068 -1.102 -10.891 1.00 0.00 H new ATOM 608 N TRP A 42 -2.698 0.753 -8.670 1.00 0.00 N ATOM 609 CA TRP A 42 -2.387 1.311 -7.358 1.00 0.00 C ATOM 610 C TRP A 42 -3.318 0.745 -6.291 1.00 0.00 C ATOM 611 O TRP A 42 -4.437 0.328 -6.588 1.00 0.00 O ATOM 612 CB TRP A 42 -2.495 2.836 -7.391 1.00 0.00 C ATOM 613 CG TRP A 42 -1.292 3.505 -7.983 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.755 3.282 -9.219 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.474 4.503 -7.362 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.347 4.082 -9.404 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.539 4.841 -8.280 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.502 5.147 -6.122 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.515 5.792 -7.994 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.468 6.090 -5.840 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.465 6.406 -6.772 1.00 0.00 C ATOM 0 H TRP A 42 -2.960 1.445 -9.372 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.364 1.032 -7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.378 3.118 -7.965 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.644 3.204 -6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.140 2.580 -9.944 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.928 4.107 -10.242 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.268 4.912 -5.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.284 6.036 -8.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.457 6.592 -4.884 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.208 7.148 -6.521 1.00 0.00 H new ATOM 632 N PHE A 43 -2.848 0.735 -5.048 1.00 0.00 N ATOM 633 CA PHE A 43 -3.639 0.219 -3.937 1.00 0.00 C ATOM 634 C PHE A 43 -3.952 1.326 -2.933 1.00 0.00 C ATOM 635 O PHE A 43 -3.137 2.218 -2.701 1.00 0.00 O ATOM 636 CB PHE A 43 -2.895 -0.921 -3.239 1.00 0.00 C ATOM 637 CG PHE A 43 -2.916 -2.210 -4.011 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.093 -2.678 -4.572 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.759 -2.954 -4.173 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.116 -3.863 -5.282 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.775 -4.140 -4.883 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.955 -4.596 -5.437 1.00 0.00 C ATOM 0 H PHE A 43 -1.924 1.078 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.578 -0.161 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.860 -0.622 -3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.339 -1.087 -2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.004 -2.110 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.834 -2.604 -3.740 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.040 -4.216 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.865 -4.710 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.970 -5.523 -5.990 1.00 0.00 H new ATOM 652 N VAL A 44 -5.141 1.260 -2.341 1.00 0.00 N ATOM 653 CA VAL A 44 -5.563 2.255 -1.362 1.00 0.00 C ATOM 654 C VAL A 44 -5.876 1.605 -0.019 1.00 0.00 C ATOM 655 O VAL A 44 -6.749 0.743 0.077 1.00 0.00 O ATOM 656 CB VAL A 44 -6.803 3.028 -1.847 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.206 4.084 -0.829 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.539 3.660 -3.206 1.00 0.00 C ATOM 0 H VAL A 44 -5.828 0.528 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.734 2.952 -1.241 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.629 2.325 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.084 4.620 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.439 3.603 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.384 4.786 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.426 4.202 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.699 4.351 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.302 2.880 -3.930 1.00 0.00 H new ATOM 668 N GLY A 45 -5.157 2.026 1.018 1.00 0.00 N ATOM 669 CA GLY A 45 -5.373 1.475 2.343 1.00 0.00 C ATOM 670 C GLY A 45 -4.782 2.343 3.435 1.00 0.00 C ATOM 671 O GLY A 45 -4.871 3.570 3.380 1.00 0.00 O ATOM 0 H GLY A 45 -4.429 2.739 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.443 1.359 2.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.932 0.480 2.396 1.00 0.00 H new ATOM 675 N VAL A 46 -4.177 1.706 4.433 1.00 0.00 N ATOM 676 CA VAL A 46 -3.568 2.428 5.544 1.00 0.00 C ATOM 677 C VAL A 46 -2.203 1.848 5.895 1.00 0.00 C ATOM 678 O VAL A 46 -1.957 0.656 5.709 1.00 0.00 O ATOM 679 CB VAL A 46 -4.466 2.393 6.795 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.723 2.945 8.001 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.752 3.168 6.550 1.00 0.00 C ATOM 0 H VAL A 46 -4.096 0.691 4.495 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.447 3.462 5.221 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.728 1.356 7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.373 2.912 8.875 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.834 2.343 8.187 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.429 3.976 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.374 3.133 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.513 4.205 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.292 2.722 5.715 1.00 0.00 H new ATOM 691 N SER A 47 -1.318 2.698 6.404 1.00 0.00 N ATOM 692 CA SER A 47 0.025 2.271 6.779 1.00 0.00 C ATOM 693 C SER A 47 0.039 1.701 8.194 1.00 0.00 C ATOM 694 O SER A 47 -0.967 1.745 8.902 1.00 0.00 O ATOM 695 CB SER A 47 1.003 3.443 6.679 1.00 0.00 C ATOM 696 OG SER A 47 2.329 2.986 6.482 1.00 0.00 O ATOM 0 H SER A 47 -1.507 3.687 6.566 1.00 0.00 H new ATOM 0 HA SER A 47 0.336 1.488 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.713 4.093 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.953 4.041 7.589 1.00 0.00 H new ATOM 0 HG SER A 47 2.713 3.425 5.694 1.00 0.00 H new ATOM 702 N ARG A 48 1.186 1.167 8.599 1.00 0.00 N ATOM 703 CA ARG A 48 1.332 0.587 9.928 1.00 0.00 C ATOM 704 C ARG A 48 2.308 1.401 10.773 1.00 0.00 C ATOM 705 O ARG A 48 2.571 1.069 11.928 1.00 0.00 O ATOM 706 CB ARG A 48 1.815 -0.861 9.826 1.00 0.00 C ATOM 707 CG ARG A 48 0.744 -1.828 9.348 1.00 0.00 C ATOM 708 CD ARG A 48 -0.366 -1.983 10.376 1.00 0.00 C ATOM 709 NE ARG A 48 0.141 -2.454 11.662 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.597 -2.518 12.765 1.00 0.00 C ATOM 711 NH1 ARG A 48 -1.869 -2.144 12.737 1.00 0.00 N ATOM 712 NH2 ARG A 48 -0.064 -2.957 13.897 1.00 0.00 N ATOM 0 H ARG A 48 2.028 1.124 8.025 1.00 0.00 H new ATOM 0 HA ARG A 48 0.356 0.604 10.413 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.663 -0.905 9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.175 -1.185 10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.323 -1.471 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.194 -2.800 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.869 -1.026 10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.112 -2.684 10.001 1.00 0.00 H new ATOM 0 HE ARG A 48 1.116 -2.750 11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.282 -1.807 11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.434 -2.194 13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.914 -3.246 13.922 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.632 -3.006 14.743 1.00 0.00 H new ATOM 726 N ARG A 49 2.841 2.468 10.187 1.00 0.00 N ATOM 727 CA ARG A 49 3.789 3.329 10.885 1.00 0.00 C ATOM 728 C ARG A 49 3.141 4.658 11.260 1.00 0.00 C ATOM 729 O ARG A 49 3.248 5.114 12.400 1.00 0.00 O ATOM 730 CB ARG A 49 5.022 3.578 10.013 1.00 0.00 C ATOM 731 CG ARG A 49 5.965 4.627 10.578 1.00 0.00 C ATOM 732 CD ARG A 49 7.333 4.559 9.919 1.00 0.00 C ATOM 733 NE ARG A 49 7.293 5.000 8.527 1.00 0.00 N ATOM 734 CZ ARG A 49 8.374 5.319 7.825 1.00 0.00 C ATOM 735 NH1 ARG A 49 9.575 5.245 8.382 1.00 0.00 N ATOM 736 NH2 ARG A 49 8.256 5.712 6.563 1.00 0.00 N ATOM 0 H ARG A 49 2.633 2.757 9.231 1.00 0.00 H new ATOM 0 HA ARG A 49 4.096 2.823 11.800 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.565 2.641 9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.698 3.890 9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.538 5.619 10.431 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.070 4.482 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.035 5.180 10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.707 3.536 9.965 1.00 0.00 H new ATOM 0 HE ARG A 49 6.384 5.067 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.670 4.943 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.404 5.490 7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.334 5.769 6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.087 5.957 6.025 1.00 0.00 H new ATOM 750 N THR A 50 2.470 5.278 10.295 1.00 0.00 N ATOM 751 CA THR A 50 1.806 6.555 10.523 1.00 0.00 C ATOM 752 C THR A 50 0.291 6.391 10.553 1.00 0.00 C ATOM 753 O THR A 50 -0.446 7.370 10.661 1.00 0.00 O ATOM 754 CB THR A 50 2.178 7.583 9.437 1.00 0.00 C ATOM 755 OG1 THR A 50 1.742 7.120 8.154 1.00 0.00 O ATOM 756 CG2 THR A 50 3.680 7.823 9.411 1.00 0.00 C ATOM 0 H THR A 50 2.372 4.916 9.347 1.00 0.00 H new ATOM 0 HA THR A 50 2.148 6.920 11.492 1.00 0.00 H new ATOM 0 HB THR A 50 1.679 8.523 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.981 7.780 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.919 8.552 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.005 8.203 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.195 6.886 9.198 1.00 0.00 H new ATOM 764 N GLN A 51 -0.166 5.146 10.457 1.00 0.00 N ATOM 765 CA GLN A 51 -1.595 4.855 10.473 1.00 0.00 C ATOM 766 C GLN A 51 -2.369 5.878 9.649 1.00 0.00 C ATOM 767 O GLN A 51 -3.478 6.272 10.010 1.00 0.00 O ATOM 768 CB GLN A 51 -2.117 4.840 11.911 1.00 0.00 C ATOM 769 CG GLN A 51 -1.995 6.181 12.616 1.00 0.00 C ATOM 770 CD GLN A 51 -2.836 6.258 13.875 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.899 5.642 13.963 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.365 7.017 14.857 1.00 0.00 N ATOM 0 H GLN A 51 0.432 4.324 10.367 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.745 3.871 10.029 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.164 4.536 11.906 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.569 4.089 12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.950 6.360 12.870 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.297 6.975 11.933 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.479 7.510 14.741 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.889 7.107 15.728 1.00 0.00 H new ATOM 781 N LYS A 52 -1.776 6.306 8.539 1.00 0.00 N ATOM 782 CA LYS A 52 -2.409 7.283 7.661 1.00 0.00 C ATOM 783 C LYS A 52 -3.137 6.592 6.513 1.00 0.00 C ATOM 784 O LYS A 52 -2.902 5.416 6.234 1.00 0.00 O ATOM 785 CB LYS A 52 -1.364 8.254 7.106 1.00 0.00 C ATOM 786 CG LYS A 52 -0.880 9.273 8.123 1.00 0.00 C ATOM 787 CD LYS A 52 -0.378 10.538 7.448 1.00 0.00 C ATOM 788 CE LYS A 52 0.717 11.208 8.265 1.00 0.00 C ATOM 789 NZ LYS A 52 2.070 10.714 7.888 1.00 0.00 N ATOM 0 H LYS A 52 -0.858 5.991 8.226 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.139 7.841 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.510 7.685 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.787 8.780 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.693 9.522 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.081 8.838 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.003 10.296 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.207 11.232 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.671 12.287 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.545 11.022 9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.665 10.648 8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.987 9.774 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.505 11.374 7.212 1.00 0.00 H new ATOM 803 N PHE A 53 -4.020 7.330 5.848 1.00 0.00 N ATOM 804 CA PHE A 53 -4.781 6.788 4.729 1.00 0.00 C ATOM 805 C PHE A 53 -4.463 7.539 3.439 1.00 0.00 C ATOM 806 O PHE A 53 -4.511 8.768 3.396 1.00 0.00 O ATOM 807 CB PHE A 53 -6.281 6.865 5.020 1.00 0.00 C ATOM 808 CG PHE A 53 -7.118 6.050 4.075 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.318 6.469 2.769 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.704 4.866 4.492 1.00 0.00 C ATOM 811 CE1 PHE A 53 -8.088 5.722 1.898 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.475 4.115 3.625 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.666 4.543 2.326 1.00 0.00 C ATOM 0 H PHE A 53 -4.226 8.305 6.065 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.495 5.744 4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.463 6.525 6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.600 7.906 4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.867 7.389 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.557 4.526 5.506 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.238 6.060 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.928 3.194 3.963 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.266 3.957 1.646 1.00 0.00 H new ATOM 823 N GLY A 54 -4.138 6.791 2.390 1.00 0.00 N ATOM 824 CA GLY A 54 -3.815 7.402 1.114 1.00 0.00 C ATOM 825 C GLY A 54 -3.761 6.393 -0.016 1.00 0.00 C ATOM 826 O GLY A 54 -4.398 5.341 0.049 1.00 0.00 O ATOM 0 H GLY A 54 -4.092 5.772 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.559 8.164 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.853 7.909 1.191 1.00 0.00 H new ATOM 830 N THR A 55 -2.999 6.713 -1.057 1.00 0.00 N ATOM 831 CA THR A 55 -2.866 5.827 -2.207 1.00 0.00 C ATOM 832 C THR A 55 -1.402 5.630 -2.583 1.00 0.00 C ATOM 833 O THR A 55 -0.637 6.591 -2.667 1.00 0.00 O ATOM 834 CB THR A 55 -3.628 6.375 -3.428 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.325 5.591 -4.587 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.265 7.830 -3.685 1.00 0.00 C ATOM 0 H THR A 55 -2.465 7.579 -1.127 1.00 0.00 H new ATOM 0 HA THR A 55 -3.296 4.868 -1.919 1.00 0.00 H new ATOM 0 HB THR A 55 -4.696 6.315 -3.218 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.815 5.945 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.816 8.195 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.524 8.429 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.195 7.910 -3.875 1.00 0.00 H new ATOM 844 N PHE A 56 -1.017 4.378 -2.809 1.00 0.00 N ATOM 845 CA PHE A 56 0.357 4.055 -3.176 1.00 0.00 C ATOM 846 C PHE A 56 0.392 2.973 -4.251 1.00 0.00 C ATOM 847 O PHE A 56 -0.546 2.193 -4.413 1.00 0.00 O ATOM 848 CB PHE A 56 1.140 3.594 -1.945 1.00 0.00 C ATOM 849 CG PHE A 56 0.368 2.660 -1.058 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.594 3.148 -0.188 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.604 1.295 -1.092 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.308 2.292 0.630 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.107 0.435 -0.277 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.062 0.934 0.586 1.00 0.00 C ATOM 0 H PHE A 56 -1.637 3.571 -2.744 1.00 0.00 H new ATOM 0 HA PHE A 56 0.822 4.955 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.055 3.099 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.439 4.468 -1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.788 4.210 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.352 0.899 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.057 2.685 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.084 -0.627 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.616 0.263 1.226 1.00 0.00 H new ATOM 864 N PRO A 57 1.501 2.924 -5.004 1.00 0.00 N ATOM 865 CA PRO A 57 1.686 1.942 -6.077 1.00 0.00 C ATOM 866 C PRO A 57 1.869 0.526 -5.541 1.00 0.00 C ATOM 867 O PRO A 57 2.924 0.185 -5.008 1.00 0.00 O ATOM 868 CB PRO A 57 2.962 2.418 -6.776 1.00 0.00 C ATOM 869 CG PRO A 57 3.705 3.178 -5.733 1.00 0.00 C ATOM 870 CD PRO A 57 2.659 3.822 -4.866 1.00 0.00 C ATOM 0 HA PRO A 57 0.818 1.887 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.548 1.577 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.731 3.048 -7.635 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.343 2.516 -5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.354 3.929 -6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.987 3.898 -3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.426 4.833 -5.201 1.00 0.00 H new ATOM 878 N GLY A 58 0.834 -0.296 -5.688 1.00 0.00 N ATOM 879 CA GLY A 58 0.902 -1.666 -5.214 1.00 0.00 C ATOM 880 C GLY A 58 2.151 -2.382 -5.688 1.00 0.00 C ATOM 881 O GLY A 58 2.548 -3.395 -5.114 1.00 0.00 O ATOM 0 H GLY A 58 -0.050 -0.038 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.875 -1.672 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.022 -2.210 -5.558 1.00 0.00 H new ATOM 885 N ASN A 59 2.771 -1.855 -6.738 1.00 0.00 N ATOM 886 CA ASN A 59 3.982 -2.452 -7.290 1.00 0.00 C ATOM 887 C ASN A 59 5.098 -2.479 -6.250 1.00 0.00 C ATOM 888 O ASN A 59 6.088 -3.194 -6.406 1.00 0.00 O ATOM 889 CB ASN A 59 4.440 -1.677 -8.527 1.00 0.00 C ATOM 890 CG ASN A 59 3.349 -1.562 -9.574 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.117 -2.490 -10.349 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.674 -0.419 -9.602 1.00 0.00 N ATOM 0 H ASN A 59 2.455 -1.016 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 59 3.753 -3.478 -7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.760 -0.679 -8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.307 -2.173 -8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.929 -0.283 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.900 0.323 -8.940 1.00 0.00 H new ATOM 899 N TYR A 60 4.930 -1.696 -5.191 1.00 0.00 N ATOM 900 CA TYR A 60 5.924 -1.628 -4.126 1.00 0.00 C ATOM 901 C TYR A 60 5.567 -2.578 -2.986 1.00 0.00 C ATOM 902 O TYR A 60 6.435 -3.007 -2.226 1.00 0.00 O ATOM 903 CB TYR A 60 6.037 -0.198 -3.596 1.00 0.00 C ATOM 904 CG TYR A 60 6.918 0.693 -4.442 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.548 1.043 -5.735 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.121 1.185 -3.950 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.350 1.856 -6.513 1.00 0.00 C ATOM 908 CE2 TYR A 60 8.928 2.000 -4.719 1.00 0.00 C ATOM 909 CZ TYR A 60 8.539 2.333 -6.000 1.00 0.00 C ATOM 910 OH TYR A 60 9.341 3.143 -6.770 1.00 0.00 O ATOM 0 H TYR A 60 4.115 -1.099 -5.047 1.00 0.00 H new ATOM 0 HA TYR A 60 6.885 -1.932 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.040 0.239 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.431 -0.226 -2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.617 0.673 -6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.430 0.925 -2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.048 2.117 -7.517 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.859 2.375 -4.320 1.00 0.00 H new ATOM 0 HH TYR A 60 10.140 3.392 -6.260 1.00 0.00 H new ATOM 920 N VAL A 61 4.283 -2.902 -2.875 1.00 0.00 N ATOM 921 CA VAL A 61 3.809 -3.802 -1.831 1.00 0.00 C ATOM 922 C VAL A 61 3.338 -5.127 -2.419 1.00 0.00 C ATOM 923 O VAL A 61 3.224 -5.272 -3.636 1.00 0.00 O ATOM 924 CB VAL A 61 2.657 -3.172 -1.026 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.073 -1.820 -0.466 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.413 -3.038 -1.893 1.00 0.00 C ATOM 0 H VAL A 61 3.552 -2.554 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 61 4.652 -3.983 -1.164 1.00 0.00 H new ATOM 0 HB VAL A 61 2.421 -3.828 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.246 -1.390 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.934 -1.947 0.190 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.337 -1.152 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.609 -2.591 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.634 -2.403 -2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.104 -4.024 -2.241 1.00 0.00 H new ATOM 936 N ALA A 62 3.065 -6.092 -1.547 1.00 0.00 N ATOM 937 CA ALA A 62 2.604 -7.405 -1.979 1.00 0.00 C ATOM 938 C ALA A 62 1.699 -8.042 -0.930 1.00 0.00 C ATOM 939 O ALA A 62 1.826 -7.793 0.269 1.00 0.00 O ATOM 940 CB ALA A 62 3.790 -8.310 -2.275 1.00 0.00 C ATOM 0 H ALA A 62 3.155 -5.989 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 62 2.023 -7.276 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.430 -9.287 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.396 -7.868 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.394 -8.424 -1.375 1.00 0.00 H new ATOM 946 N PRO A 63 0.761 -8.884 -1.389 1.00 0.00 N ATOM 947 CA PRO A 63 -0.184 -9.574 -0.506 1.00 0.00 C ATOM 948 C PRO A 63 0.494 -10.639 0.349 1.00 0.00 C ATOM 949 O PRO A 63 0.875 -11.699 -0.148 1.00 0.00 O ATOM 950 CB PRO A 63 -1.173 -10.220 -1.480 1.00 0.00 C ATOM 951 CG PRO A 63 -0.404 -10.388 -2.745 1.00 0.00 C ATOM 952 CD PRO A 63 0.552 -9.229 -2.806 1.00 0.00 C ATOM 0 HA PRO A 63 -0.649 -8.892 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.530 -11.179 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.050 -9.590 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.132 -11.337 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.069 -10.391 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.487 -9.504 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.134 -8.392 -3.366 1.00 0.00 H new ATOM 960 N VAL A 64 0.641 -10.351 1.639 1.00 0.00 N ATOM 961 CA VAL A 64 1.271 -11.285 2.564 1.00 0.00 C ATOM 962 C VAL A 64 0.285 -12.352 3.026 1.00 0.00 C ATOM 963 O VAL A 64 0.681 -13.435 3.455 1.00 0.00 O ATOM 964 CB VAL A 64 1.838 -10.557 3.797 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.838 -9.538 4.322 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.211 -11.557 4.881 1.00 0.00 C ATOM 0 H VAL A 64 0.332 -9.478 2.067 1.00 0.00 H new ATOM 0 HA VAL A 64 2.089 -11.761 2.024 1.00 0.00 H new ATOM 0 HB VAL A 64 2.741 -10.024 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.256 -9.034 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.625 -8.804 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.084 -10.046 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.610 -11.025 5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.325 -12.119 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.965 -12.244 4.498 1.00 0.00 H new ATOM 976 N SER A 65 -1.004 -12.038 2.934 1.00 0.00 N ATOM 977 CA SER A 65 -2.048 -12.968 3.346 1.00 0.00 C ATOM 978 C SER A 65 -1.774 -14.367 2.804 1.00 0.00 C ATOM 979 O SER A 65 -2.080 -15.367 3.452 1.00 0.00 O ATOM 980 CB SER A 65 -3.415 -12.480 2.861 1.00 0.00 C ATOM 981 OG SER A 65 -4.379 -13.517 2.925 1.00 0.00 O ATOM 0 H SER A 65 -1.349 -11.147 2.578 1.00 0.00 H new ATOM 0 HA SER A 65 -2.051 -13.013 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.741 -11.638 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.333 -12.118 1.836 1.00 0.00 H new ATOM 0 HG SER A 65 -5.244 -13.179 2.611 1.00 0.00 H new ATOM 987 N GLY A 66 -1.194 -14.429 1.609 1.00 0.00 N ATOM 988 CA GLY A 66 -0.888 -15.710 0.999 1.00 0.00 C ATOM 989 C GLY A 66 -1.983 -16.184 0.065 1.00 0.00 C ATOM 990 O GLY A 66 -2.854 -15.417 -0.345 1.00 0.00 O ATOM 0 H GLY A 66 -0.931 -13.616 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.048 -15.631 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.735 -16.454 1.781 1.00 0.00 H new ATOM 994 N PRO A 67 -1.948 -17.478 -0.286 1.00 0.00 N ATOM 995 CA PRO A 67 -2.938 -18.083 -1.183 1.00 0.00 C ATOM 996 C PRO A 67 -4.314 -18.195 -0.535 1.00 0.00 C ATOM 997 O PRO A 67 -5.304 -18.484 -1.206 1.00 0.00 O ATOM 998 CB PRO A 67 -2.362 -19.474 -1.460 1.00 0.00 C ATOM 999 CG PRO A 67 -1.505 -19.772 -0.279 1.00 0.00 C ATOM 1000 CD PRO A 67 -0.939 -18.451 0.165 1.00 0.00 C ATOM 0 HA PRO A 67 -3.094 -17.485 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.154 -20.215 -1.572 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.782 -19.486 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.086 -20.235 0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.709 -20.470 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.802 -18.416 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.034 -18.259 -0.286 1.00 0.00 H new ATOM 1008 N SER A 68 -4.368 -17.965 0.773 1.00 0.00 N ATOM 1009 CA SER A 68 -5.623 -18.043 1.511 1.00 0.00 C ATOM 1010 C SER A 68 -6.773 -17.466 0.692 1.00 0.00 C ATOM 1011 O SER A 68 -6.699 -16.337 0.208 1.00 0.00 O ATOM 1012 CB SER A 68 -5.504 -17.296 2.841 1.00 0.00 C ATOM 1013 OG SER A 68 -4.401 -17.768 3.595 1.00 0.00 O ATOM 0 H SER A 68 -3.558 -17.723 1.343 1.00 0.00 H new ATOM 0 HA SER A 68 -5.834 -19.094 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.390 -16.228 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.422 -17.422 3.416 1.00 0.00 H new ATOM 0 HG SER A 68 -3.699 -17.084 3.611 1.00 0.00 H new ATOM 1019 N SER A 69 -7.835 -18.251 0.540 1.00 0.00 N ATOM 1020 CA SER A 69 -9.000 -17.821 -0.224 1.00 0.00 C ATOM 1021 C SER A 69 -9.727 -16.684 0.487 1.00 0.00 C ATOM 1022 O SER A 69 -9.700 -16.585 1.713 1.00 0.00 O ATOM 1023 CB SER A 69 -9.956 -18.996 -0.441 1.00 0.00 C ATOM 1024 OG SER A 69 -10.505 -19.441 0.788 1.00 0.00 O ATOM 0 H SER A 69 -7.912 -19.188 0.936 1.00 0.00 H new ATOM 0 HA SER A 69 -8.655 -17.459 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.759 -18.696 -1.114 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.425 -19.816 -0.924 1.00 0.00 H new ATOM 0 HG SER A 69 -11.114 -20.191 0.622 1.00 0.00 H new ATOM 1030 N GLY A 70 -10.378 -15.826 -0.293 1.00 0.00 N ATOM 1031 CA GLY A 70 -11.103 -14.706 0.279 1.00 0.00 C ATOM 1032 C GLY A 70 -10.181 -13.601 0.756 1.00 0.00 C ATOM 1033 O GLY A 70 -10.523 -12.421 0.675 1.00 0.00 O ATOM 0 H GLY A 70 -10.416 -15.887 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.791 -14.305 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.707 -15.057 1.116 1.00 0.00 H new TER 1037 GLY A 70