USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 Single : A 7 GLN : amide:sc=-0.00607 K(o=-0.0061,f=-0.75) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.3 K(o=0.3,f=-8.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0338) USER MOD Single : A 30 SER OG : rot -80:sc= 1.25 USER MOD Single : A 37 ASN : amide:sc= -0.747 K(o=-0.75,f=-2.6!) USER MOD Single : A 40 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.094) USER MOD Single : A 44 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 45 SER OG : rot 150:sc= -0.0871 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.116 (180deg=-0.53) USER MOD Single : A 49 MET CE :methyl -121:sc= 0 (180deg=-0.00296) USER MOD Single : A 54 GLN : amide:sc= 0.706 K(o=0.71,f=-0.29) USER MOD Single : A 56 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.14! C(o=-3.1!,f=-10!) USER MOD Single : A 73 THR OG1 : rot 43:sc= 1.35 USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0281) USER MOD Single : A 79 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.12) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 8:sc= 1.05 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.430 11.983 7.937 1.00 0.00 N ATOM 58 CA GLU A 5 -22.150 10.788 8.416 1.00 0.00 C ATOM 59 C GLU A 5 -23.512 10.616 7.711 1.00 0.00 C ATOM 60 O GLU A 5 -23.782 11.280 6.712 1.00 0.00 O ATOM 61 CB GLU A 5 -22.264 10.830 9.955 1.00 0.00 C ATOM 62 CG GLU A 5 -23.062 11.987 10.579 1.00 0.00 C ATOM 63 CD GLU A 5 -22.248 13.278 10.703 1.00 0.00 C ATOM 64 OE1 GLU A 5 -22.241 14.039 9.708 1.00 0.00 O ATOM 65 OE2 GLU A 5 -21.610 13.464 11.758 1.00 0.00 O ATOM 0 HA GLU A 5 -21.577 9.899 8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.716 9.894 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.255 10.858 10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.947 12.179 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.412 11.688 11.567 1.00 0.00 H new ATOM 72 N ALA A 6 -24.339 9.705 8.227 1.00 0.00 N ATOM 73 CA ALA A 6 -25.666 9.313 7.702 1.00 0.00 C ATOM 74 C ALA A 6 -25.551 8.664 6.312 1.00 0.00 C ATOM 75 O ALA A 6 -25.348 7.452 6.247 1.00 0.00 O ATOM 76 CB ALA A 6 -26.691 10.460 7.772 1.00 0.00 C ATOM 0 H ALA A 6 -24.095 9.186 9.071 1.00 0.00 H new ATOM 0 HA ALA A 6 -26.067 8.543 8.361 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.647 10.119 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.819 10.770 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.333 11.304 7.182 1.00 0.00 H new ATOM 82 N GLN A 7 -25.422 9.492 5.269 1.00 0.00 N ATOM 83 CA GLN A 7 -25.251 9.152 3.834 1.00 0.00 C ATOM 84 C GLN A 7 -26.148 8.092 3.159 1.00 0.00 C ATOM 85 O GLN A 7 -26.672 8.349 2.078 1.00 0.00 O ATOM 86 CB GLN A 7 -23.772 8.969 3.433 1.00 0.00 C ATOM 87 CG GLN A 7 -22.940 8.064 4.349 1.00 0.00 C ATOM 88 CD GLN A 7 -21.556 7.755 3.776 1.00 0.00 C ATOM 89 OE1 GLN A 7 -21.286 6.652 3.319 1.00 0.00 O ATOM 90 NE2 GLN A 7 -20.604 8.632 3.998 1.00 0.00 N ATOM 0 H GLN A 7 -25.434 10.502 5.408 1.00 0.00 H new ATOM 0 HA GLN A 7 -25.666 10.065 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -23.737 8.562 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -23.300 9.951 3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -22.827 8.544 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.477 7.130 4.515 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -20.835 9.550 4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -19.634 8.395 3.789 1.00 0.00 H new ATOM 99 N TYR A 8 -26.346 6.955 3.828 1.00 0.00 N ATOM 100 CA TYR A 8 -27.143 5.798 3.359 1.00 0.00 C ATOM 101 C TYR A 8 -27.251 4.703 4.439 1.00 0.00 C ATOM 102 O TYR A 8 -28.318 4.500 5.006 1.00 0.00 O ATOM 103 CB TYR A 8 -26.577 5.220 2.047 1.00 0.00 C ATOM 104 CG TYR A 8 -27.435 4.128 1.390 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.826 4.135 1.471 1.00 0.00 C ATOM 106 CD2 TYR A 8 -26.799 3.128 0.665 1.00 0.00 C ATOM 107 CE1 TYR A 8 -29.569 3.147 0.842 1.00 0.00 C ATOM 108 CE2 TYR A 8 -27.539 2.139 0.030 1.00 0.00 C ATOM 109 CZ TYR A 8 -28.926 2.148 0.122 1.00 0.00 C ATOM 110 OH TYR A 8 -29.661 1.170 -0.463 1.00 0.00 O ATOM 0 H TYR A 8 -25.942 6.799 4.752 1.00 0.00 H new ATOM 0 HA TYR A 8 -28.150 6.165 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -26.448 6.035 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.587 4.811 2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -29.328 4.913 2.026 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.721 3.120 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -30.647 3.154 0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -27.038 1.365 -0.533 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.065 0.548 -0.930 1.00 0.00 H new ATOM 120 N VAL A 9 -26.112 4.075 4.745 1.00 0.00 N ATOM 121 CA VAL A 9 -25.956 2.928 5.677 1.00 0.00 C ATOM 122 C VAL A 9 -26.906 1.756 5.334 1.00 0.00 C ATOM 123 O VAL A 9 -27.987 1.608 5.900 1.00 0.00 O ATOM 124 CB VAL A 9 -26.088 3.315 7.174 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.612 2.174 8.084 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.324 4.582 7.564 1.00 0.00 C ATOM 0 H VAL A 9 -25.222 4.359 4.335 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.930 2.591 5.529 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.151 3.511 7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.716 2.473 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.216 1.285 7.899 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.566 1.952 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.469 4.782 8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.262 4.443 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.696 5.425 6.982 1.00 0.00 H new ATOM 136 N ALA A 10 -26.455 0.916 4.405 1.00 0.00 N ATOM 137 CA ALA A 10 -27.129 -0.365 4.106 1.00 0.00 C ATOM 138 C ALA A 10 -26.202 -1.563 4.411 1.00 0.00 C ATOM 139 O ALA A 10 -25.369 -1.925 3.574 1.00 0.00 O ATOM 140 CB ALA A 10 -27.621 -0.367 2.654 1.00 0.00 C ATOM 0 H ALA A 10 -25.624 1.092 3.840 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.999 -0.472 4.754 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.117 -1.314 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.324 0.453 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.772 -0.242 1.982 1.00 0.00 H new ATOM 146 N PRO A 11 -26.229 -2.073 5.653 1.00 0.00 N ATOM 147 CA PRO A 11 -25.385 -3.210 6.071 1.00 0.00 C ATOM 148 C PRO A 11 -25.788 -4.518 5.374 1.00 0.00 C ATOM 149 O PRO A 11 -26.932 -4.693 4.962 1.00 0.00 O ATOM 150 CB PRO A 11 -25.549 -3.285 7.591 1.00 0.00 C ATOM 151 CG PRO A 11 -26.953 -2.731 7.826 1.00 0.00 C ATOM 152 CD PRO A 11 -27.086 -1.628 6.773 1.00 0.00 C ATOM 0 HA PRO A 11 -24.343 -3.065 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -25.455 -4.308 7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.792 -2.693 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.714 -3.501 7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -27.064 -2.337 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -28.122 -1.507 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.758 -0.665 7.164 1.00 0.00 H new ATOM 160 N THR A 12 -24.776 -5.345 5.132 1.00 0.00 N ATOM 161 CA THR A 12 -24.960 -6.654 4.465 1.00 0.00 C ATOM 162 C THR A 12 -24.953 -7.790 5.506 1.00 0.00 C ATOM 163 O THR A 12 -26.005 -8.274 5.914 1.00 0.00 O ATOM 164 CB THR A 12 -23.873 -6.891 3.398 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.513 -5.660 2.762 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.348 -7.896 2.346 1.00 0.00 C ATOM 0 H THR A 12 -23.809 -5.141 5.385 1.00 0.00 H new ATOM 0 HA THR A 12 -25.927 -6.646 3.962 1.00 0.00 H new ATOM 0 HB THR A 12 -22.997 -7.300 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.821 -5.830 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.563 -8.045 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.578 -8.846 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.242 -7.513 1.855 1.00 0.00 H new ATOM 174 N ASN A 13 -23.756 -8.184 5.936 1.00 0.00 N ATOM 175 CA ASN A 13 -23.546 -9.259 6.926 1.00 0.00 C ATOM 176 C ASN A 13 -22.890 -8.717 8.210 1.00 0.00 C ATOM 177 O ASN A 13 -22.486 -7.554 8.266 1.00 0.00 O ATOM 178 CB ASN A 13 -22.692 -10.364 6.275 1.00 0.00 C ATOM 179 CG ASN A 13 -21.245 -9.969 5.938 1.00 0.00 C ATOM 180 OD1 ASN A 13 -20.814 -8.829 6.057 1.00 0.00 O ATOM 181 ND2 ASN A 13 -20.432 -10.954 5.635 1.00 0.00 N ATOM 0 H ASN A 13 -22.887 -7.764 5.607 1.00 0.00 H new ATOM 0 HA ASN A 13 -24.508 -9.676 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -22.669 -11.224 6.945 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.185 -10.687 5.358 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.438 -10.771 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.794 -11.902 5.537 1.00 0.00 H new ATOM 188 N ALA A 14 -22.695 -9.613 9.178 1.00 0.00 N ATOM 189 CA ALA A 14 -21.986 -9.318 10.444 1.00 0.00 C ATOM 190 C ALA A 14 -20.633 -8.607 10.249 1.00 0.00 C ATOM 191 O ALA A 14 -20.443 -7.531 10.811 1.00 0.00 O ATOM 192 CB ALA A 14 -21.790 -10.614 11.234 1.00 0.00 C ATOM 0 H ALA A 14 -23.024 -10.576 9.114 1.00 0.00 H new ATOM 0 HA ALA A 14 -22.614 -8.621 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -21.268 -10.397 12.166 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -22.762 -11.055 11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -21.200 -11.315 10.643 1.00 0.00 H new ATOM 198 N VAL A 15 -19.863 -9.060 9.255 1.00 0.00 N ATOM 199 CA VAL A 15 -18.560 -8.474 8.857 1.00 0.00 C ATOM 200 C VAL A 15 -18.722 -6.979 8.504 1.00 0.00 C ATOM 201 O VAL A 15 -18.238 -6.117 9.236 1.00 0.00 O ATOM 202 CB VAL A 15 -17.943 -9.289 7.695 1.00 0.00 C ATOM 203 CG1 VAL A 15 -16.594 -8.732 7.224 1.00 0.00 C ATOM 204 CG2 VAL A 15 -17.740 -10.760 8.084 1.00 0.00 C ATOM 0 H VAL A 15 -20.127 -9.864 8.685 1.00 0.00 H new ATOM 0 HA VAL A 15 -17.868 -8.529 9.698 1.00 0.00 H new ATOM 0 HB VAL A 15 -18.661 -9.209 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -16.212 -9.346 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -16.725 -7.707 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.885 -8.747 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -17.305 -11.302 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -17.069 -10.820 8.941 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -18.701 -11.204 8.343 1.00 0.00 H new ATOM 214 N GLU A 16 -19.558 -6.713 7.498 1.00 0.00 N ATOM 215 CA GLU A 16 -19.914 -5.347 7.053 1.00 0.00 C ATOM 216 C GLU A 16 -20.423 -4.456 8.200 1.00 0.00 C ATOM 217 O GLU A 16 -19.812 -3.429 8.483 1.00 0.00 O ATOM 218 CB GLU A 16 -20.979 -5.406 5.947 1.00 0.00 C ATOM 219 CG GLU A 16 -20.418 -5.713 4.552 1.00 0.00 C ATOM 220 CD GLU A 16 -19.667 -4.547 3.885 1.00 0.00 C ATOM 221 OE1 GLU A 16 -19.961 -3.377 4.220 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.840 -4.851 3.002 1.00 0.00 O ATOM 0 H GLU A 16 -20.018 -7.445 6.956 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.997 -4.899 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.715 -6.167 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.505 -4.452 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.743 -6.565 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.241 -6.014 3.904 1.00 0.00 H new ATOM 229 N SER A 17 -21.380 -4.984 8.964 1.00 0.00 N ATOM 230 CA SER A 17 -22.020 -4.279 10.096 1.00 0.00 C ATOM 231 C SER A 17 -21.030 -3.906 11.215 1.00 0.00 C ATOM 232 O SER A 17 -20.764 -2.724 11.422 1.00 0.00 O ATOM 233 CB SER A 17 -23.178 -5.118 10.653 1.00 0.00 C ATOM 234 OG SER A 17 -23.868 -4.388 11.670 1.00 0.00 O ATOM 0 H SER A 17 -21.744 -5.926 8.819 1.00 0.00 H new ATOM 0 HA SER A 17 -22.407 -3.338 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.868 -5.379 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 17 -22.796 -6.054 11.062 1.00 0.00 H new ATOM 0 HG SER A 17 -24.606 -4.930 12.018 1.00 0.00 H new ATOM 240 N LYS A 18 -20.320 -4.911 11.732 1.00 0.00 N ATOM 241 CA LYS A 18 -19.338 -4.754 12.828 1.00 0.00 C ATOM 242 C LYS A 18 -18.182 -3.814 12.444 1.00 0.00 C ATOM 243 O LYS A 18 -17.869 -2.883 13.186 1.00 0.00 O ATOM 244 CB LYS A 18 -18.809 -6.143 13.214 1.00 0.00 C ATOM 245 CG LYS A 18 -18.070 -6.181 14.559 1.00 0.00 C ATOM 246 CD LYS A 18 -19.015 -5.917 15.737 1.00 0.00 C ATOM 247 CE LYS A 18 -18.311 -6.045 17.091 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.941 -7.436 17.393 1.00 0.00 N ATOM 0 H LYS A 18 -20.406 -5.873 11.403 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.837 -4.293 13.680 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.645 -6.841 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -18.136 -6.494 12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.595 -7.154 14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.274 -5.436 14.558 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.437 -4.916 15.643 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -19.848 -6.619 15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.416 -5.423 17.094 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.965 -5.666 17.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.592 -7.498 18.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.774 -8.048 17.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.195 -7.747 16.739 1.00 0.00 H new ATOM 262 N LEU A 19 -17.660 -3.988 11.228 1.00 0.00 N ATOM 263 CA LEU A 19 -16.624 -3.092 10.677 1.00 0.00 C ATOM 264 C LEU A 19 -17.110 -1.647 10.486 1.00 0.00 C ATOM 265 O LEU A 19 -16.516 -0.740 11.060 1.00 0.00 O ATOM 266 CB LEU A 19 -16.027 -3.652 9.382 1.00 0.00 C ATOM 267 CG LEU A 19 -15.091 -4.845 9.612 1.00 0.00 C ATOM 268 CD1 LEU A 19 -14.741 -5.490 8.271 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.797 -4.406 10.303 1.00 0.00 C ATOM 0 H LEU A 19 -17.935 -4.742 10.599 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.834 -3.052 11.427 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.837 -3.957 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.478 -2.861 8.872 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.607 -5.560 10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.076 -6.337 8.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.653 -5.835 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.244 -4.758 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.153 -5.272 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.282 -3.675 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.034 -3.958 11.268 1.00 0.00 H new ATOM 281 N ALA A 20 -18.286 -1.470 9.881 1.00 0.00 N ATOM 282 CA ALA A 20 -18.922 -0.140 9.746 1.00 0.00 C ATOM 283 C ALA A 20 -19.161 0.530 11.112 1.00 0.00 C ATOM 284 O ALA A 20 -18.809 1.695 11.293 1.00 0.00 O ATOM 285 CB ALA A 20 -20.243 -0.254 8.979 1.00 0.00 C ATOM 0 H ALA A 20 -18.827 -2.231 9.471 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.232 0.491 9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.698 0.733 8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -20.053 -0.658 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.920 -0.917 9.517 1.00 0.00 H new ATOM 291 N GLU A 21 -19.583 -0.274 12.089 1.00 0.00 N ATOM 292 CA GLU A 21 -19.748 0.126 13.501 1.00 0.00 C ATOM 293 C GLU A 21 -18.436 0.659 14.105 1.00 0.00 C ATOM 294 O GLU A 21 -18.366 1.838 14.459 1.00 0.00 O ATOM 295 CB GLU A 21 -20.306 -1.067 14.289 1.00 0.00 C ATOM 296 CG GLU A 21 -20.686 -0.723 15.735 1.00 0.00 C ATOM 297 CD GLU A 21 -21.194 -1.940 16.518 1.00 0.00 C ATOM 298 OE1 GLU A 21 -20.576 -3.021 16.394 1.00 0.00 O ATOM 299 OE2 GLU A 21 -22.161 -1.746 17.285 1.00 0.00 O ATOM 0 H GLU A 21 -19.828 -1.250 11.923 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.455 0.953 13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.185 -1.454 13.773 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.564 -1.866 14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.818 -0.304 16.245 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.456 0.048 15.730 1.00 0.00 H new ATOM 306 N ILE A 22 -17.380 -0.157 14.090 1.00 0.00 N ATOM 307 CA ILE A 22 -16.064 0.269 14.619 1.00 0.00 C ATOM 308 C ILE A 22 -15.470 1.470 13.861 1.00 0.00 C ATOM 309 O ILE A 22 -15.228 2.501 14.484 1.00 0.00 O ATOM 310 CB ILE A 22 -15.035 -0.866 14.795 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.701 -1.605 13.491 1.00 0.00 C ATOM 312 CG2 ILE A 22 -15.519 -1.819 15.896 1.00 0.00 C ATOM 313 CD1 ILE A 22 -13.331 -2.292 13.520 1.00 0.00 C ATOM 0 H ILE A 22 -17.400 -1.109 13.723 1.00 0.00 H new ATOM 0 HA ILE A 22 -16.290 0.604 15.631 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.091 -0.414 15.098 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.471 -2.352 13.297 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.728 -0.897 12.663 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.795 -2.624 16.025 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.622 -1.271 16.832 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.484 -2.241 15.614 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.156 -2.796 12.569 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.553 -1.546 13.684 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.308 -3.024 14.328 1.00 0.00 H new ATOM 325 N TRP A 23 -15.538 1.436 12.529 1.00 0.00 N ATOM 326 CA TRP A 23 -15.058 2.532 11.660 1.00 0.00 C ATOM 327 C TRP A 23 -15.753 3.879 11.915 1.00 0.00 C ATOM 328 O TRP A 23 -15.077 4.873 12.175 1.00 0.00 O ATOM 329 CB TRP A 23 -15.175 2.154 10.177 1.00 0.00 C ATOM 330 CG TRP A 23 -14.275 0.988 9.737 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.628 0.053 8.859 1.00 0.00 C ATOM 332 CD2 TRP A 23 -12.973 0.702 10.133 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.624 -0.805 8.679 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.601 -0.447 9.449 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.057 1.335 10.968 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.325 -0.974 9.606 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.780 0.813 11.120 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.413 -0.344 10.443 1.00 0.00 C ATOM 0 H TRP A 23 -15.928 0.648 12.013 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.009 2.669 11.922 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.212 1.895 9.963 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.934 3.029 9.573 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.587 -0.003 8.365 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.638 -1.608 8.051 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.340 2.233 11.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.043 -1.873 9.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.070 1.307 11.766 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.421 -0.752 10.567 1.00 0.00 H new ATOM 349 N GLU A 24 -17.083 3.863 12.016 1.00 0.00 N ATOM 350 CA GLU A 24 -17.886 5.073 12.309 1.00 0.00 C ATOM 351 C GLU A 24 -17.663 5.682 13.709 1.00 0.00 C ATOM 352 O GLU A 24 -18.035 6.830 13.951 1.00 0.00 O ATOM 353 CB GLU A 24 -19.372 4.816 12.019 1.00 0.00 C ATOM 354 CG GLU A 24 -20.136 3.924 13.008 1.00 0.00 C ATOM 355 CD GLU A 24 -21.405 3.295 12.413 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.898 3.812 11.383 1.00 0.00 O ATOM 357 OE2 GLU A 24 -21.861 2.291 13.000 1.00 0.00 O ATOM 0 H GLU A 24 -17.642 3.018 11.899 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.519 5.842 11.629 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.879 5.780 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.450 4.367 11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.475 3.130 13.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.409 4.515 13.882 1.00 0.00 H new ATOM 364 N ARG A 25 -17.263 4.817 14.640 1.00 0.00 N ATOM 365 CA ARG A 25 -16.835 5.197 15.998 1.00 0.00 C ATOM 366 C ARG A 25 -15.393 5.749 16.001 1.00 0.00 C ATOM 367 O ARG A 25 -15.176 6.869 16.462 1.00 0.00 O ATOM 368 CB ARG A 25 -17.004 3.952 16.878 1.00 0.00 C ATOM 369 CG ARG A 25 -17.223 4.261 18.360 1.00 0.00 C ATOM 370 CD ARG A 25 -15.920 4.337 19.162 1.00 0.00 C ATOM 371 NE ARG A 25 -16.210 4.503 20.602 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.784 3.618 21.429 1.00 0.00 C ATOM 373 NH1 ARG A 25 -17.117 2.390 21.053 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.991 3.944 22.696 1.00 0.00 N ATOM 0 H ARG A 25 -17.224 3.811 14.474 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.444 6.010 16.393 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.850 3.372 16.510 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.119 3.325 16.775 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.754 5.209 18.452 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.864 3.493 18.793 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -15.335 3.431 19.004 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.316 5.172 18.808 1.00 0.00 H new ATOM 0 HE ARG A 25 -15.942 5.396 21.015 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -16.938 2.083 20.097 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -17.552 1.753 21.720 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.714 4.864 23.038 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -17.427 3.275 23.330 1.00 0.00 H new ATOM 388 N VAL A 26 -14.487 5.048 15.314 1.00 0.00 N ATOM 389 CA VAL A 26 -13.068 5.438 15.101 1.00 0.00 C ATOM 390 C VAL A 26 -12.939 6.806 14.395 1.00 0.00 C ATOM 391 O VAL A 26 -12.150 7.648 14.820 1.00 0.00 O ATOM 392 CB VAL A 26 -12.319 4.309 14.350 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.891 4.677 13.925 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.216 3.054 15.223 1.00 0.00 C ATOM 0 H VAL A 26 -14.718 4.159 14.870 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.596 5.567 16.075 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.913 4.136 13.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.437 3.833 13.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.920 5.539 13.259 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.300 4.921 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.687 2.273 14.677 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.671 3.290 16.137 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.217 2.704 15.477 1.00 0.00 H new ATOM 404 N LEU A 27 -13.776 7.027 13.381 1.00 0.00 N ATOM 405 CA LEU A 27 -13.910 8.315 12.664 1.00 0.00 C ATOM 406 C LEU A 27 -14.236 9.516 13.580 1.00 0.00 C ATOM 407 O LEU A 27 -13.780 10.631 13.328 1.00 0.00 O ATOM 408 CB LEU A 27 -14.967 8.140 11.560 1.00 0.00 C ATOM 409 CG LEU A 27 -15.154 9.354 10.641 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.364 8.889 9.201 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.376 10.174 11.067 1.00 0.00 C ATOM 0 H LEU A 27 -14.399 6.304 13.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.940 8.563 12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.693 7.280 10.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.924 7.907 12.028 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.259 9.971 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.496 9.756 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.494 8.320 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.252 8.258 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.490 11.030 10.402 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.269 9.551 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.240 10.525 12.090 1.00 0.00 H new ATOM 423 N GLY A 28 -14.853 9.199 14.723 1.00 0.00 N ATOM 424 CA GLY A 28 -15.511 10.177 15.604 1.00 0.00 C ATOM 425 C GLY A 28 -17.007 9.851 15.588 1.00 0.00 C ATOM 426 O GLY A 28 -17.668 10.138 14.592 1.00 0.00 O ATOM 0 H GLY A 28 -14.912 8.242 15.070 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.113 10.114 16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.333 11.194 15.254 1.00 0.00 H new ATOM 430 N VAL A 29 -17.355 8.938 16.497 1.00 0.00 N ATOM 431 CA VAL A 29 -18.717 8.418 16.773 1.00 0.00 C ATOM 432 C VAL A 29 -19.883 9.282 16.245 1.00 0.00 C ATOM 433 O VAL A 29 -20.308 10.265 16.850 1.00 0.00 O ATOM 434 CB VAL A 29 -18.824 8.001 18.259 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.670 9.157 19.255 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.089 7.179 18.530 1.00 0.00 C ATOM 0 H VAL A 29 -16.657 8.508 17.104 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.848 7.521 16.167 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.961 7.360 18.436 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.758 8.775 20.272 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.692 9.621 19.125 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.450 9.897 19.076 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.127 6.906 19.585 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -20.969 7.771 18.277 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.073 6.275 17.922 1.00 0.00 H new ATOM 446 N SER A 30 -20.257 8.945 15.015 1.00 0.00 N ATOM 447 CA SER A 30 -21.261 9.699 14.230 1.00 0.00 C ATOM 448 C SER A 30 -22.216 8.830 13.398 1.00 0.00 C ATOM 449 O SER A 30 -23.409 9.120 13.339 1.00 0.00 O ATOM 450 CB SER A 30 -20.566 10.724 13.323 1.00 0.00 C ATOM 451 OG SER A 30 -19.507 10.096 12.590 1.00 0.00 O ATOM 0 H SER A 30 -19.877 8.138 14.521 1.00 0.00 H new ATOM 0 HA SER A 30 -21.886 10.199 14.970 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.289 11.159 12.632 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.168 11.542 13.924 1.00 0.00 H new ATOM 0 HG SER A 30 -18.716 10.016 13.163 1.00 0.00 H new ATOM 457 N GLY A 31 -21.628 7.936 12.591 1.00 0.00 N ATOM 458 CA GLY A 31 -22.402 6.918 11.851 1.00 0.00 C ATOM 459 C GLY A 31 -22.298 7.084 10.332 1.00 0.00 C ATOM 460 O GLY A 31 -23.092 7.800 9.732 1.00 0.00 O ATOM 0 H GLY A 31 -20.621 7.893 12.431 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.048 5.925 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.449 6.977 12.148 1.00 0.00 H new ATOM 464 N ILE A 32 -21.414 6.301 9.722 1.00 0.00 N ATOM 465 CA ILE A 32 -21.120 6.420 8.278 1.00 0.00 C ATOM 466 C ILE A 32 -21.555 5.167 7.504 1.00 0.00 C ATOM 467 O ILE A 32 -21.489 4.045 8.006 1.00 0.00 O ATOM 468 CB ILE A 32 -19.645 6.747 7.962 1.00 0.00 C ATOM 469 CG1 ILE A 32 -18.669 5.724 8.568 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.337 8.197 8.366 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.272 5.737 7.937 1.00 0.00 C ATOM 0 H ILE A 32 -20.882 5.572 10.197 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.710 7.273 7.944 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.494 6.663 6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.574 5.918 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.094 4.726 8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.295 8.424 8.141 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -19.984 8.875 7.809 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.513 8.322 9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.647 4.987 8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.351 5.512 6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -16.823 6.722 8.067 1.00 0.00 H new ATOM 483 N GLY A 33 -21.980 5.422 6.263 1.00 0.00 N ATOM 484 CA GLY A 33 -22.421 4.374 5.323 1.00 0.00 C ATOM 485 C GLY A 33 -21.273 3.469 4.863 1.00 0.00 C ATOM 486 O GLY A 33 -20.097 3.826 4.920 1.00 0.00 O ATOM 0 H GLY A 33 -22.030 6.364 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.189 3.765 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.880 4.843 4.452 1.00 0.00 H new ATOM 490 N ILE A 34 -21.686 2.342 4.296 1.00 0.00 N ATOM 491 CA ILE A 34 -20.805 1.336 3.657 1.00 0.00 C ATOM 492 C ILE A 34 -19.827 1.965 2.636 1.00 0.00 C ATOM 493 O ILE A 34 -18.670 1.559 2.533 1.00 0.00 O ATOM 494 CB ILE A 34 -21.701 0.235 3.039 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.664 -0.399 4.065 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.922 -0.846 2.276 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.042 -1.031 5.320 1.00 0.00 C ATOM 0 H ILE A 34 -22.672 2.082 4.260 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.156 0.888 4.410 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.304 0.762 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.367 0.369 4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.244 -1.167 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.619 -1.581 1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.367 -0.386 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.226 -1.340 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.832 -1.437 5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.364 -1.832 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.489 -0.272 5.873 1.00 0.00 H new ATOM 509 N LEU A 35 -20.286 3.006 1.944 1.00 0.00 N ATOM 510 CA LEU A 35 -19.479 3.808 1.001 1.00 0.00 C ATOM 511 C LEU A 35 -18.319 4.593 1.646 1.00 0.00 C ATOM 512 O LEU A 35 -17.308 4.841 0.993 1.00 0.00 O ATOM 513 CB LEU A 35 -20.369 4.788 0.217 1.00 0.00 C ATOM 514 CG LEU A 35 -21.349 4.196 -0.816 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.660 3.254 -1.809 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.584 3.562 -0.167 1.00 0.00 C ATOM 0 H LEU A 35 -21.250 3.330 2.019 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.026 3.074 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.949 5.364 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.718 5.491 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.715 5.041 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -21.396 2.866 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.889 3.800 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -20.204 2.425 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -23.238 3.162 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.273 2.755 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -23.121 4.317 0.407 1.00 0.00 H new ATOM 528 N ASP A 36 -18.445 4.877 2.946 1.00 0.00 N ATOM 529 CA ASP A 36 -17.533 5.723 3.750 1.00 0.00 C ATOM 530 C ASP A 36 -17.520 7.177 3.238 1.00 0.00 C ATOM 531 O ASP A 36 -18.356 7.571 2.427 1.00 0.00 O ATOM 532 CB ASP A 36 -16.120 5.115 3.804 1.00 0.00 C ATOM 533 CG ASP A 36 -16.087 3.777 4.548 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.406 2.747 3.914 1.00 0.00 O ATOM 535 OD2 ASP A 36 -15.727 3.812 5.743 1.00 0.00 O ATOM 0 H ASP A 36 -19.219 4.510 3.500 1.00 0.00 H new ATOM 0 HA ASP A 36 -17.911 5.751 4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.750 4.972 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.444 5.816 4.294 1.00 0.00 H new ATOM 540 N ASN A 37 -16.665 8.013 3.819 1.00 0.00 N ATOM 541 CA ASN A 37 -16.546 9.415 3.369 1.00 0.00 C ATOM 542 C ASN A 37 -15.398 9.655 2.365 1.00 0.00 C ATOM 543 O ASN A 37 -15.121 10.802 2.029 1.00 0.00 O ATOM 544 CB ASN A 37 -16.426 10.298 4.619 1.00 0.00 C ATOM 545 CG ASN A 37 -16.642 11.803 4.394 1.00 0.00 C ATOM 546 OD1 ASN A 37 -16.133 12.634 5.132 1.00 0.00 O ATOM 547 ND2 ASN A 37 -17.483 12.194 3.461 1.00 0.00 N ATOM 0 H ASN A 37 -16.049 7.759 4.591 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.440 9.678 2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.150 9.952 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.436 10.152 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.706 13.184 3.358 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.912 11.507 2.841 1.00 0.00 H new ATOM 554 N PHE A 38 -14.849 8.572 1.801 1.00 0.00 N ATOM 555 CA PHE A 38 -13.724 8.575 0.831 1.00 0.00 C ATOM 556 C PHE A 38 -12.661 9.689 0.981 1.00 0.00 C ATOM 557 O PHE A 38 -12.034 10.142 0.024 1.00 0.00 O ATOM 558 CB PHE A 38 -14.272 8.456 -0.602 1.00 0.00 C ATOM 559 CG PHE A 38 -15.336 9.503 -0.953 1.00 0.00 C ATOM 560 CD1 PHE A 38 -14.956 10.764 -1.392 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.683 9.204 -0.772 1.00 0.00 C ATOM 562 CE1 PHE A 38 -15.921 11.730 -1.648 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.648 10.171 -1.026 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.267 11.435 -1.465 1.00 0.00 C ATOM 0 H PHE A 38 -15.181 7.630 2.009 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.136 7.692 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.444 8.545 -1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.698 7.462 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.910 10.994 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.978 8.221 -0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.625 12.711 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.694 9.941 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.017 12.187 -1.664 1.00 0.00 H new ATOM 574 N PHE A 39 -12.343 9.952 2.249 1.00 0.00 N ATOM 575 CA PHE A 39 -11.471 11.051 2.710 1.00 0.00 C ATOM 576 C PHE A 39 -10.998 10.774 4.152 1.00 0.00 C ATOM 577 O PHE A 39 -10.077 9.976 4.342 1.00 0.00 O ATOM 578 CB PHE A 39 -12.227 12.385 2.543 1.00 0.00 C ATOM 579 CG PHE A 39 -11.430 13.612 2.993 1.00 0.00 C ATOM 580 CD1 PHE A 39 -10.385 14.087 2.210 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.763 14.261 4.178 1.00 0.00 C ATOM 582 CE1 PHE A 39 -9.659 15.198 2.622 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.032 15.367 4.591 1.00 0.00 C ATOM 584 CZ PHE A 39 -9.980 15.834 3.815 1.00 0.00 C ATOM 0 H PHE A 39 -12.697 9.386 3.020 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.565 11.120 2.108 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.501 12.507 1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.155 12.339 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.137 13.593 1.282 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.589 13.905 4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.845 15.567 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.282 15.864 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.410 16.693 4.139 1.00 0.00 H new ATOM 594 N GLN A 40 -11.783 11.206 5.143 1.00 0.00 N ATOM 595 CA GLN A 40 -11.464 11.052 6.582 1.00 0.00 C ATOM 596 C GLN A 40 -11.683 9.654 7.203 1.00 0.00 C ATOM 597 O GLN A 40 -12.209 9.496 8.302 1.00 0.00 O ATOM 598 CB GLN A 40 -12.102 12.180 7.411 1.00 0.00 C ATOM 599 CG GLN A 40 -13.634 12.258 7.359 1.00 0.00 C ATOM 600 CD GLN A 40 -14.169 13.282 8.368 1.00 0.00 C ATOM 601 OE1 GLN A 40 -13.618 14.349 8.594 1.00 0.00 O ATOM 602 NE2 GLN A 40 -15.335 13.023 8.915 1.00 0.00 N ATOM 0 H GLN A 40 -12.671 11.680 4.976 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.379 11.147 6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.798 12.059 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.696 13.132 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.953 12.532 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.059 11.277 7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.799 12.134 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.776 13.711 9.525 1.00 0.00 H new ATOM 611 N ILE A 41 -11.263 8.639 6.454 1.00 0.00 N ATOM 612 CA ILE A 41 -11.193 7.241 6.936 1.00 0.00 C ATOM 613 C ILE A 41 -9.739 6.730 6.949 1.00 0.00 C ATOM 614 O ILE A 41 -9.287 6.171 7.945 1.00 0.00 O ATOM 615 CB ILE A 41 -12.143 6.244 6.222 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.826 5.872 4.759 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.609 6.635 6.444 1.00 0.00 C ATOM 618 CD1 ILE A 41 -11.839 6.994 3.714 1.00 0.00 C ATOM 0 H ILE A 41 -10.957 8.752 5.488 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.566 7.280 7.959 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.943 5.295 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.840 5.407 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.543 5.114 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.257 5.922 5.934 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.830 6.628 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.784 7.634 6.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.598 6.581 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.828 7.451 3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.099 7.749 3.981 1.00 0.00 H new ATOM 630 N GLY A 42 -9.004 7.047 5.869 1.00 0.00 N ATOM 631 CA GLY A 42 -7.563 6.750 5.749 1.00 0.00 C ATOM 632 C GLY A 42 -6.677 7.526 6.731 1.00 0.00 C ATOM 633 O GLY A 42 -5.811 6.937 7.376 1.00 0.00 O ATOM 0 H GLY A 42 -9.392 7.518 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.409 5.682 5.905 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.241 6.974 4.732 1.00 0.00 H new ATOM 637 N GLY A 43 -6.867 8.852 6.749 1.00 0.00 N ATOM 638 CA GLY A 43 -6.078 9.727 7.638 1.00 0.00 C ATOM 639 C GLY A 43 -6.508 11.196 7.642 1.00 0.00 C ATOM 640 O GLY A 43 -6.381 11.885 6.636 1.00 0.00 O ATOM 0 H GLY A 43 -7.549 9.341 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.144 9.341 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.030 9.671 7.343 1.00 0.00 H new ATOM 644 N HIS A 44 -7.232 11.554 8.700 1.00 0.00 N ATOM 645 CA HIS A 44 -7.326 12.960 9.162 1.00 0.00 C ATOM 646 C HIS A 44 -5.958 13.510 9.636 1.00 0.00 C ATOM 647 O HIS A 44 -5.724 14.716 9.653 1.00 0.00 O ATOM 648 CB HIS A 44 -8.383 13.084 10.278 1.00 0.00 C ATOM 649 CG HIS A 44 -8.077 12.406 11.629 1.00 0.00 C ATOM 650 ND1 HIS A 44 -8.515 12.813 12.818 1.00 0.00 N ATOM 651 CD2 HIS A 44 -7.310 11.343 11.849 1.00 0.00 C ATOM 652 CE1 HIS A 44 -8.006 12.004 13.747 1.00 0.00 C ATOM 653 NE2 HIS A 44 -7.245 11.089 13.146 1.00 0.00 N ATOM 0 H HIS A 44 -7.769 10.895 9.264 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.635 13.567 8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.552 14.145 10.465 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.320 12.674 9.901 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -9.133 13.606 12.989 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.812 10.770 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.181 12.077 14.810 1.00 0.00 H new ATOM 662 N SER A 45 -5.151 12.565 10.124 1.00 0.00 N ATOM 663 CA SER A 45 -3.783 12.657 10.682 1.00 0.00 C ATOM 664 C SER A 45 -3.392 11.265 11.230 1.00 0.00 C ATOM 665 O SER A 45 -3.210 10.346 10.431 1.00 0.00 O ATOM 666 CB SER A 45 -3.615 13.790 11.716 1.00 0.00 C ATOM 667 OG SER A 45 -4.553 13.672 12.794 1.00 0.00 O ATOM 0 H SER A 45 -5.472 11.597 10.143 1.00 0.00 H new ATOM 0 HA SER A 45 -3.092 12.937 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.600 13.771 12.114 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.747 14.754 11.224 1.00 0.00 H new ATOM 0 HG SER A 45 -4.161 14.044 13.611 1.00 0.00 H new ATOM 673 N LEU A 46 -3.631 11.025 12.522 1.00 0.00 N ATOM 674 CA LEU A 46 -3.258 9.772 13.218 1.00 0.00 C ATOM 675 C LEU A 46 -3.969 8.482 12.763 1.00 0.00 C ATOM 676 O LEU A 46 -3.410 7.395 12.916 1.00 0.00 O ATOM 677 CB LEU A 46 -3.302 9.901 14.749 1.00 0.00 C ATOM 678 CG LEU A 46 -4.666 10.265 15.340 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.876 9.496 16.645 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.733 11.765 15.635 1.00 0.00 C ATOM 0 H LEU A 46 -4.095 11.700 13.130 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.225 9.642 12.896 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.977 8.957 15.185 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.580 10.658 15.053 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.441 10.004 14.620 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.847 9.754 17.067 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.840 8.425 16.446 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.091 9.760 17.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.709 12.010 16.055 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.953 12.031 16.349 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.585 12.324 14.711 1.00 0.00 H new ATOM 692 N LYS A 47 -5.186 8.604 12.221 1.00 0.00 N ATOM 693 CA LYS A 47 -5.896 7.473 11.574 1.00 0.00 C ATOM 694 C LYS A 47 -5.033 6.528 10.722 1.00 0.00 C ATOM 695 O LYS A 47 -5.113 5.323 10.935 1.00 0.00 O ATOM 696 CB LYS A 47 -7.054 7.938 10.691 1.00 0.00 C ATOM 697 CG LYS A 47 -8.369 8.030 11.458 1.00 0.00 C ATOM 698 CD LYS A 47 -9.455 8.580 10.531 1.00 0.00 C ATOM 699 CE LYS A 47 -10.785 8.754 11.263 1.00 0.00 C ATOM 700 NZ LYS A 47 -10.736 9.794 12.304 1.00 0.00 N ATOM 0 H LYS A 47 -5.711 9.479 12.213 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.247 6.911 12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.815 8.913 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.171 7.247 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.656 7.047 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.253 8.678 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.135 9.539 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.590 7.904 9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.561 9.007 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.070 7.805 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.687 10.191 12.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.401 9.377 13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.085 10.550 12.009 1.00 0.00 H new ATOM 714 N ALA A 48 -4.066 7.075 9.981 1.00 0.00 N ATOM 715 CA ALA A 48 -3.170 6.281 9.111 1.00 0.00 C ATOM 716 C ALA A 48 -2.520 5.089 9.841 1.00 0.00 C ATOM 717 O ALA A 48 -2.835 3.942 9.525 1.00 0.00 O ATOM 718 CB ALA A 48 -2.113 7.200 8.491 1.00 0.00 C ATOM 0 H ALA A 48 -3.876 8.077 9.961 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.780 5.844 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.453 6.615 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.604 7.972 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.528 7.668 9.283 1.00 0.00 H new ATOM 724 N MET A 49 -1.844 5.378 10.955 1.00 0.00 N ATOM 725 CA MET A 49 -1.231 4.350 11.825 1.00 0.00 C ATOM 726 C MET A 49 -2.247 3.504 12.620 1.00 0.00 C ATOM 727 O MET A 49 -2.158 2.275 12.626 1.00 0.00 O ATOM 728 CB MET A 49 -0.162 4.944 12.756 1.00 0.00 C ATOM 729 CG MET A 49 -0.645 6.116 13.622 1.00 0.00 C ATOM 730 SD MET A 49 0.537 6.631 14.920 1.00 0.00 S ATOM 731 CE MET A 49 0.230 5.372 16.141 1.00 0.00 C ATOM 0 H MET A 49 -1.701 6.332 11.287 1.00 0.00 H new ATOM 0 HA MET A 49 -0.743 3.661 11.136 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.209 4.155 13.410 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.681 5.280 12.152 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.851 6.969 12.976 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.587 5.839 14.095 1.00 0.00 H new ATOM 0 HE1 MET A 49 -0.091 5.839 17.072 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.551 4.701 15.783 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.144 4.804 16.316 1.00 0.00 H new ATOM 741 N ALA A 50 -3.283 4.160 13.146 1.00 0.00 N ATOM 742 CA ALA A 50 -4.358 3.506 13.924 1.00 0.00 C ATOM 743 C ALA A 50 -5.131 2.450 13.112 1.00 0.00 C ATOM 744 O ALA A 50 -5.327 1.319 13.561 1.00 0.00 O ATOM 745 CB ALA A 50 -5.314 4.577 14.460 1.00 0.00 C ATOM 0 H ALA A 50 -3.408 5.168 13.048 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.889 2.971 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.109 4.101 15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.765 5.266 15.102 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.749 5.127 13.625 1.00 0.00 H new ATOM 751 N VAL A 51 -5.497 2.815 11.886 1.00 0.00 N ATOM 752 CA VAL A 51 -6.151 1.903 10.926 1.00 0.00 C ATOM 753 C VAL A 51 -5.140 0.863 10.404 1.00 0.00 C ATOM 754 O VAL A 51 -5.465 -0.320 10.406 1.00 0.00 O ATOM 755 CB VAL A 51 -6.861 2.669 9.787 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.656 1.708 8.898 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.847 3.718 10.316 1.00 0.00 C ATOM 0 H VAL A 51 -5.351 3.756 11.520 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.939 1.363 11.451 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.070 3.163 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.147 2.270 8.103 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.980 0.974 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.408 1.195 9.498 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.320 4.229 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.611 3.228 10.919 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.312 4.444 10.928 1.00 0.00 H new ATOM 767 N ALA A 52 -3.894 1.268 10.139 1.00 0.00 N ATOM 768 CA ALA A 52 -2.807 0.342 9.746 1.00 0.00 C ATOM 769 C ALA A 52 -2.588 -0.815 10.735 1.00 0.00 C ATOM 770 O ALA A 52 -2.470 -1.963 10.312 1.00 0.00 O ATOM 771 CB ALA A 52 -1.484 1.092 9.580 1.00 0.00 C ATOM 0 H ALA A 52 -3.602 2.244 10.188 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.131 -0.088 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.702 0.390 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.592 1.853 8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.215 1.568 10.523 1.00 0.00 H new ATOM 777 N ALA A 53 -2.659 -0.519 12.035 1.00 0.00 N ATOM 778 CA ALA A 53 -2.612 -1.536 13.108 1.00 0.00 C ATOM 779 C ALA A 53 -3.704 -2.614 12.960 1.00 0.00 C ATOM 780 O ALA A 53 -3.408 -3.806 12.970 1.00 0.00 O ATOM 781 CB ALA A 53 -2.725 -0.842 14.467 1.00 0.00 C ATOM 0 H ALA A 53 -2.751 0.435 12.383 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.657 -2.055 13.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.691 -1.588 15.261 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.897 -0.144 14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.668 -0.298 14.521 1.00 0.00 H new ATOM 787 N GLN A 54 -4.918 -2.164 12.646 1.00 0.00 N ATOM 788 CA GLN A 54 -6.084 -3.023 12.335 1.00 0.00 C ATOM 789 C GLN A 54 -5.926 -3.763 10.992 1.00 0.00 C ATOM 790 O GLN A 54 -6.101 -4.979 10.924 1.00 0.00 O ATOM 791 CB GLN A 54 -7.356 -2.169 12.339 1.00 0.00 C ATOM 792 CG GLN A 54 -7.663 -1.636 13.742 1.00 0.00 C ATOM 793 CD GLN A 54 -8.684 -0.498 13.716 1.00 0.00 C ATOM 794 OE1 GLN A 54 -9.890 -0.688 13.732 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.200 0.724 13.688 1.00 0.00 N ATOM 0 H GLN A 54 -5.134 -1.168 12.597 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.153 -3.791 13.105 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.239 -1.334 11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.197 -2.763 11.981 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.042 -2.448 14.363 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.741 -1.284 14.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.191 0.873 13.675 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.833 1.523 13.679 1.00 0.00 H new ATOM 804 N VAL A 55 -5.445 -3.043 9.978 1.00 0.00 N ATOM 805 CA VAL A 55 -5.089 -3.599 8.650 1.00 0.00 C ATOM 806 C VAL A 55 -4.016 -4.707 8.773 1.00 0.00 C ATOM 807 O VAL A 55 -3.953 -5.611 7.942 1.00 0.00 O ATOM 808 CB VAL A 55 -4.715 -2.474 7.657 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.384 -2.999 6.256 1.00 0.00 C ATOM 810 CG2 VAL A 55 -5.874 -1.487 7.479 1.00 0.00 C ATOM 0 H VAL A 55 -5.285 -2.038 10.047 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.968 -4.087 8.229 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.838 -1.996 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.130 -2.163 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.538 -3.684 6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.249 -3.524 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.583 -0.707 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.746 -2.016 7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.118 -1.036 8.441 1.00 0.00 H new ATOM 820 N HIS A 56 -3.144 -4.584 9.771 1.00 0.00 N ATOM 821 CA HIS A 56 -2.262 -5.675 10.219 1.00 0.00 C ATOM 822 C HIS A 56 -3.057 -6.775 10.956 1.00 0.00 C ATOM 823 O HIS A 56 -3.603 -7.658 10.300 1.00 0.00 O ATOM 824 CB HIS A 56 -1.116 -5.091 11.062 1.00 0.00 C ATOM 825 CG HIS A 56 0.099 -6.012 11.264 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.245 -5.625 11.816 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.265 -7.268 10.844 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.114 -6.629 11.735 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.504 -7.646 11.138 1.00 0.00 N ATOM 0 H HIS A 56 -3.024 -3.720 10.300 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.819 -6.166 9.352 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.776 -4.169 10.590 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.511 -4.821 12.041 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.480 -7.873 10.350 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.134 -6.619 12.091 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.915 -8.558 10.940 1.00 0.00 H new ATOM 838 N ARG A 57 -3.374 -6.552 12.232 1.00 0.00 N ATOM 839 CA ARG A 57 -3.921 -7.587 13.143 1.00 0.00 C ATOM 840 C ARG A 57 -5.233 -8.280 12.719 1.00 0.00 C ATOM 841 O ARG A 57 -5.527 -9.383 13.175 1.00 0.00 O ATOM 842 CB ARG A 57 -4.035 -7.028 14.574 1.00 0.00 C ATOM 843 CG ARG A 57 -5.114 -5.950 14.768 1.00 0.00 C ATOM 844 CD ARG A 57 -6.261 -6.398 15.686 1.00 0.00 C ATOM 845 NE ARG A 57 -6.941 -7.603 15.173 1.00 0.00 N ATOM 846 CZ ARG A 57 -8.097 -8.122 15.586 1.00 0.00 C ATOM 847 NH1 ARG A 57 -8.724 -7.696 16.674 1.00 0.00 N ATOM 848 NH2 ARG A 57 -8.566 -9.200 14.978 1.00 0.00 N ATOM 0 H ARG A 57 -3.261 -5.641 12.677 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.189 -8.393 13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.242 -7.854 15.255 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.070 -6.611 14.863 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.653 -5.055 15.185 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.522 -5.675 13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.870 -6.599 16.683 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.984 -5.588 15.785 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.471 -8.096 14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.323 -6.942 17.232 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.608 -8.122 16.953 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.044 -9.619 14.208 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.449 -9.612 15.280 1.00 0.00 H new ATOM 862 N GLU A 58 -6.085 -7.544 12.010 1.00 0.00 N ATOM 863 CA GLU A 58 -7.415 -8.010 11.569 1.00 0.00 C ATOM 864 C GLU A 58 -7.493 -8.257 10.048 1.00 0.00 C ATOM 865 O GLU A 58 -8.231 -9.136 9.609 1.00 0.00 O ATOM 866 CB GLU A 58 -8.443 -6.950 11.991 1.00 0.00 C ATOM 867 CG GLU A 58 -9.898 -7.406 11.833 1.00 0.00 C ATOM 868 CD GLU A 58 -10.895 -6.255 12.002 1.00 0.00 C ATOM 869 OE1 GLU A 58 -10.650 -5.179 11.409 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.960 -6.514 12.604 1.00 0.00 O ATOM 0 H GLU A 58 -5.876 -6.590 11.716 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.621 -8.972 12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.267 -6.680 13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.287 -6.049 11.398 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.030 -7.855 10.849 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.114 -8.181 12.568 1.00 0.00 H new ATOM 877 N TYR A 59 -6.825 -7.407 9.269 1.00 0.00 N ATOM 878 CA TYR A 59 -6.859 -7.476 7.791 1.00 0.00 C ATOM 879 C TYR A 59 -5.716 -8.261 7.117 1.00 0.00 C ATOM 880 O TYR A 59 -5.812 -8.581 5.936 1.00 0.00 O ATOM 881 CB TYR A 59 -6.957 -6.062 7.198 1.00 0.00 C ATOM 882 CG TYR A 59 -8.324 -5.359 7.250 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.295 -5.645 8.207 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.606 -4.413 6.269 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.522 -4.999 8.181 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.833 -3.763 6.239 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.796 -4.060 7.195 1.00 0.00 C ATOM 888 OH TYR A 59 -12.004 -3.441 7.181 1.00 0.00 O ATOM 0 H TYR A 59 -6.245 -6.651 9.633 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.752 -8.060 7.567 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.235 -5.430 7.715 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.646 -6.113 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.091 -6.376 8.976 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.861 -4.181 5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.266 -5.227 8.930 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.038 -3.028 5.474 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.040 -2.811 6.431 1.00 0.00 H new ATOM 898 N GLN A 60 -4.618 -8.471 7.848 1.00 0.00 N ATOM 899 CA GLN A 60 -3.371 -9.171 7.452 1.00 0.00 C ATOM 900 C GLN A 60 -2.508 -8.454 6.392 1.00 0.00 C ATOM 901 O GLN A 60 -1.300 -8.323 6.579 1.00 0.00 O ATOM 902 CB GLN A 60 -3.666 -10.631 7.076 1.00 0.00 C ATOM 903 CG GLN A 60 -2.417 -11.515 7.142 1.00 0.00 C ATOM 904 CD GLN A 60 -2.787 -12.995 7.020 1.00 0.00 C ATOM 905 OE1 GLN A 60 -2.820 -13.589 5.954 1.00 0.00 O ATOM 906 NE2 GLN A 60 -3.079 -13.624 8.140 1.00 0.00 N ATOM 0 H GLN A 60 -4.563 -8.134 8.809 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.739 -9.152 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.426 -11.030 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.081 -10.667 6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.730 -11.241 6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.895 -11.343 8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.050 -13.124 9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.334 -14.611 8.119 1.00 0.00 H new ATOM 915 N VAL A 61 -3.160 -7.841 5.405 1.00 0.00 N ATOM 916 CA VAL A 61 -2.517 -7.106 4.283 1.00 0.00 C ATOM 917 C VAL A 61 -1.613 -5.932 4.743 1.00 0.00 C ATOM 918 O VAL A 61 -0.819 -5.407 3.965 1.00 0.00 O ATOM 919 CB VAL A 61 -3.529 -6.622 3.214 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.855 -6.614 1.838 1.00 0.00 C ATOM 921 CG2 VAL A 61 -4.830 -7.429 3.103 1.00 0.00 C ATOM 0 H VAL A 61 -4.178 -7.834 5.349 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.868 -7.848 3.817 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.822 -5.627 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.567 -6.274 1.086 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.998 -5.941 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.520 -7.622 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.460 -6.999 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.596 -8.463 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.359 -7.399 4.055 1.00 0.00 H new ATOM 931 N GLU A 62 -1.876 -5.413 5.945 1.00 0.00 N ATOM 932 CA GLU A 62 -1.048 -4.456 6.726 1.00 0.00 C ATOM 933 C GLU A 62 -0.514 -3.152 6.090 1.00 0.00 C ATOM 934 O GLU A 62 0.310 -2.465 6.694 1.00 0.00 O ATOM 935 CB GLU A 62 0.067 -5.213 7.474 1.00 0.00 C ATOM 936 CG GLU A 62 1.174 -5.815 6.599 1.00 0.00 C ATOM 937 CD GLU A 62 2.213 -6.546 7.453 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.057 -5.836 8.045 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.150 -7.793 7.491 1.00 0.00 O ATOM 0 H GLU A 62 -2.731 -5.660 6.444 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.800 -4.028 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.527 -4.530 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.391 -6.017 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.737 -6.508 5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.660 -5.025 6.026 1.00 0.00 H new ATOM 946 N LEU A 63 -1.175 -2.683 5.036 1.00 0.00 N ATOM 947 CA LEU A 63 -0.705 -1.510 4.268 1.00 0.00 C ATOM 948 C LEU A 63 -1.496 -0.199 4.480 1.00 0.00 C ATOM 949 O LEU A 63 -2.620 -0.055 3.984 1.00 0.00 O ATOM 950 CB LEU A 63 -0.512 -1.884 2.785 1.00 0.00 C ATOM 951 CG LEU A 63 -1.734 -2.038 1.860 1.00 0.00 C ATOM 952 CD1 LEU A 63 -1.244 -2.513 0.495 1.00 0.00 C ATOM 953 CD2 LEU A 63 -2.808 -3.000 2.373 1.00 0.00 C ATOM 0 H LEU A 63 -2.041 -3.091 4.685 1.00 0.00 H new ATOM 0 HA LEU A 63 0.266 -1.251 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.135 -1.127 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.035 -2.826 2.758 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.214 -1.061 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.095 -2.629 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.552 -1.779 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.735 -3.471 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.629 -3.044 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.378 -3.994 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.183 -2.647 3.334 1.00 0.00 H new ATOM 965 N PRO A 64 -0.921 0.755 5.234 1.00 0.00 N ATOM 966 CA PRO A 64 -1.539 2.073 5.494 1.00 0.00 C ATOM 967 C PRO A 64 -1.704 2.897 4.211 1.00 0.00 C ATOM 968 O PRO A 64 -0.945 2.735 3.256 1.00 0.00 O ATOM 969 CB PRO A 64 -0.596 2.773 6.475 1.00 0.00 C ATOM 970 CG PRO A 64 0.767 2.153 6.169 1.00 0.00 C ATOM 971 CD PRO A 64 0.428 0.699 5.837 1.00 0.00 C ATOM 0 HA PRO A 64 -2.545 1.961 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.589 3.852 6.323 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.892 2.599 7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.257 2.652 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.441 2.224 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.153 0.272 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.436 0.077 6.732 1.00 0.00 H new ATOM 979 N LEU A 65 -2.709 3.774 4.242 1.00 0.00 N ATOM 980 CA LEU A 65 -3.137 4.671 3.141 1.00 0.00 C ATOM 981 C LEU A 65 -3.659 3.936 1.894 1.00 0.00 C ATOM 982 O LEU A 65 -4.847 4.036 1.603 1.00 0.00 O ATOM 983 CB LEU A 65 -2.043 5.706 2.809 1.00 0.00 C ATOM 984 CG LEU A 65 -2.493 6.840 1.876 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.720 8.114 2.220 1.00 0.00 C ATOM 986 CD2 LEU A 65 -2.236 6.499 0.405 1.00 0.00 C ATOM 0 H LEU A 65 -3.284 3.892 5.076 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.006 5.213 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.680 6.142 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.200 5.189 2.350 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.564 6.982 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.037 8.921 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.919 8.392 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.652 7.938 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.568 7.326 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.170 6.331 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.787 5.597 0.139 1.00 0.00 H new ATOM 998 N LYS A 66 -2.841 3.054 1.322 1.00 0.00 N ATOM 999 CA LYS A 66 -3.113 2.321 0.066 1.00 0.00 C ATOM 1000 C LYS A 66 -4.521 1.701 0.022 1.00 0.00 C ATOM 1001 O LYS A 66 -5.402 2.282 -0.611 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.012 1.272 -0.129 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.369 1.344 -1.520 1.00 0.00 C ATOM 1004 CD LYS A 66 -2.227 0.790 -2.666 1.00 0.00 C ATOM 1005 CE LYS A 66 -2.319 -0.738 -2.633 1.00 0.00 C ATOM 1006 NZ LYS A 66 -2.990 -1.266 -3.830 1.00 0.00 N ATOM 0 H LYS A 66 -1.936 2.815 1.727 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.098 3.029 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.243 1.412 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.432 0.278 0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.128 2.384 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.427 0.797 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.229 1.214 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.805 1.106 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.317 -1.162 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.863 -1.051 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.035 -2.304 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.954 -0.881 -3.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.456 -0.988 -4.678 1.00 0.00 H new ATOM 1020 N VAL A 67 -4.778 0.750 0.923 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.096 0.084 1.040 1.00 0.00 C ATOM 1022 C VAL A 67 -7.271 1.036 1.379 1.00 0.00 C ATOM 1023 O VAL A 67 -8.367 0.906 0.839 1.00 0.00 O ATOM 1024 CB VAL A 67 -5.967 -1.144 1.965 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -5.901 -0.818 3.460 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.022 -2.209 1.658 1.00 0.00 C ATOM 0 H VAL A 67 -4.087 0.414 1.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.384 -0.274 0.052 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.989 -1.563 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.811 -1.743 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.036 -0.185 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.809 -0.294 3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.893 -3.055 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.017 -1.785 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.909 -2.547 0.628 1.00 0.00 H new ATOM 1036 N LEU A 68 -6.956 2.113 2.097 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.940 3.113 2.559 1.00 0.00 C ATOM 1038 C LEU A 68 -8.337 4.193 1.535 1.00 0.00 C ATOM 1039 O LEU A 68 -9.317 4.902 1.753 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.459 3.818 3.836 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.324 2.992 5.126 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.475 2.000 5.335 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.932 2.365 5.253 1.00 0.00 C ATOM 0 H LEU A 68 -6.000 2.326 2.382 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.833 2.515 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.486 4.261 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.146 4.640 4.039 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.419 3.689 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.317 1.450 6.263 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.418 2.544 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.509 1.300 4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.875 1.789 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.751 1.707 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.178 3.152 5.269 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.452 4.442 0.572 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.673 5.433 -0.498 1.00 0.00 C ATOM 1057 C PHE A 69 -7.909 4.837 -1.895 1.00 0.00 C ATOM 1058 O PHE A 69 -8.747 5.350 -2.633 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.526 6.449 -0.526 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.637 7.465 0.617 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -7.322 8.656 0.412 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.014 7.231 1.836 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -7.378 9.613 1.420 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.059 8.189 2.842 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.744 9.381 2.636 1.00 0.00 C ATOM 0 H PHE A 69 -6.554 3.963 0.505 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.609 5.931 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.574 5.924 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.529 6.974 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.812 8.839 -0.533 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.492 6.300 2.003 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.914 10.537 1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.562 8.007 3.783 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.784 10.125 3.418 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.207 3.752 -2.231 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.440 3.006 -3.487 1.00 0.00 C ATOM 1077 C ALA A 70 -8.798 2.277 -3.472 1.00 0.00 C ATOM 1078 O ALA A 70 -9.483 2.203 -4.490 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.293 2.022 -3.741 1.00 0.00 C ATOM 0 H ALA A 70 -6.465 3.362 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.469 3.726 -4.304 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.477 1.480 -4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.354 2.570 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.230 1.315 -2.914 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.118 1.677 -2.326 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.464 1.144 -2.044 1.00 0.00 C ATOM 1087 C GLN A 71 -11.072 1.750 -0.750 1.00 0.00 C ATOM 1088 O GLN A 71 -11.359 1.020 0.203 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.460 -0.398 -2.105 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.512 -1.159 -1.167 1.00 0.00 C ATOM 1091 CD GLN A 71 -8.064 -1.238 -1.664 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.289 -0.293 -1.658 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.645 -2.415 -2.065 1.00 0.00 N ATOM 0 H GLN A 71 -8.456 1.543 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.147 1.467 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.475 -0.742 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.222 -0.690 -3.128 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.523 -0.677 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.892 -2.171 -1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.285 -3.209 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.679 -2.536 -2.369 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.490 3.031 -0.806 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.906 3.834 0.370 1.00 0.00 C ATOM 1104 C PRO A 72 -13.287 3.518 0.987 1.00 0.00 C ATOM 1105 O PRO A 72 -13.829 4.298 1.772 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.847 5.274 -0.148 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.303 5.138 -1.598 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.662 3.823 -2.043 1.00 0.00 C ATOM 0 HA PRO A 72 -11.247 3.611 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.502 5.934 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.840 5.687 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.390 5.103 -1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.966 5.977 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.295 3.300 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.704 3.999 -2.533 1.00 0.00 H new ATOM 1116 N THR A 73 -13.739 2.289 0.770 1.00 0.00 N ATOM 1117 CA THR A 73 -15.072 1.790 1.171 1.00 0.00 C ATOM 1118 C THR A 73 -14.961 0.402 1.809 1.00 0.00 C ATOM 1119 O THR A 73 -14.346 -0.504 1.244 1.00 0.00 O ATOM 1120 CB THR A 73 -16.089 1.785 0.003 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.263 1.050 0.370 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.538 1.257 -1.328 1.00 0.00 C ATOM 0 H THR A 73 -13.179 1.581 0.296 1.00 0.00 H new ATOM 0 HA THR A 73 -15.459 2.488 1.914 1.00 0.00 H new ATOM 0 HB THR A 73 -16.330 2.833 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.522 1.284 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.321 1.292 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.699 1.876 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.202 0.228 -1.200 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.705 0.231 2.900 1.00 0.00 N ATOM 1131 CA ILE A 74 -15.820 -1.056 3.617 1.00 0.00 C ATOM 1132 C ILE A 74 -16.392 -2.181 2.727 1.00 0.00 C ATOM 1133 O ILE A 74 -15.910 -3.304 2.818 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.504 -0.851 4.991 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.209 -1.973 6.006 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -17.992 -0.497 4.904 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.841 -3.355 5.781 1.00 0.00 C ATOM 0 H ILE A 74 -16.252 0.981 3.321 1.00 0.00 H new ATOM 0 HA ILE A 74 -14.823 -1.429 3.853 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.025 0.040 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.128 -2.106 6.047 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.524 -1.621 6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.395 -0.370 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.113 0.431 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.528 -1.299 4.397 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.536 -4.029 6.581 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.927 -3.262 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.509 -3.755 4.823 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.181 -1.821 1.710 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.666 -2.779 0.693 1.00 0.00 C ATOM 1151 C LYS A 75 -16.486 -3.462 -0.029 1.00 0.00 C ATOM 1152 O LYS A 75 -16.384 -4.688 -0.050 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.564 -2.044 -0.312 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.294 -2.976 -1.288 1.00 0.00 C ATOM 1155 CD LYS A 75 -20.330 -3.862 -0.586 1.00 0.00 C ATOM 1156 CE LYS A 75 -21.029 -4.816 -1.560 1.00 0.00 C ATOM 1157 NZ LYS A 75 -21.852 -4.105 -2.553 1.00 0.00 N ATOM 0 H LYS A 75 -17.504 -0.865 1.563 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.245 -3.558 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.301 -1.457 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.956 -1.341 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.790 -2.379 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.566 -3.607 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.840 -4.440 0.198 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -21.075 -3.232 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.280 -5.416 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.658 -5.506 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.382 -4.795 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.519 -3.474 -2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.237 -3.543 -3.175 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.543 -2.649 -0.503 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.298 -3.141 -1.124 1.00 0.00 C ATOM 1173 C ALA A 76 -13.318 -3.753 -0.106 1.00 0.00 C ATOM 1174 O ALA A 76 -12.815 -4.851 -0.338 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.640 -2.012 -1.912 1.00 0.00 C ATOM 0 H ALA A 76 -15.613 -1.632 -0.471 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.566 -3.951 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.721 -2.376 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.321 -1.666 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.408 -1.186 -1.240 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.187 -3.119 1.062 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.352 -3.612 2.182 1.00 0.00 C ATOM 1183 C LEU A 77 -12.728 -5.034 2.639 1.00 0.00 C ATOM 1184 O LEU A 77 -11.861 -5.899 2.736 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.430 -2.665 3.389 1.00 0.00 C ATOM 1186 CG LEU A 77 -11.920 -1.238 3.142 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.209 -0.373 4.370 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.420 -1.202 2.847 1.00 0.00 C ATOM 0 H LEU A 77 -13.659 -2.239 1.268 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.334 -3.643 1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.467 -2.610 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.858 -3.100 4.208 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.442 -0.852 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.847 0.640 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.283 -0.348 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.703 -0.794 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.107 -0.172 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.873 -1.614 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.210 -1.794 1.957 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.035 -5.295 2.743 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.590 -6.619 3.091 1.00 0.00 C ATOM 1202 C ALA A 78 -14.146 -7.716 2.112 1.00 0.00 C ATOM 1203 O ALA A 78 -13.549 -8.694 2.549 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.117 -6.559 3.160 1.00 0.00 C ATOM 0 H ALA A 78 -14.752 -4.587 2.587 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.195 -6.881 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.509 -7.543 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.419 -5.838 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.513 -6.253 2.192 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.274 -7.451 0.815 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.778 -8.349 -0.253 1.00 0.00 C ATOM 1212 C GLN A 79 -12.245 -8.476 -0.309 1.00 0.00 C ATOM 1213 O GLN A 79 -11.717 -9.574 -0.478 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.369 -7.908 -1.595 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.734 -8.553 -1.889 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.775 -8.425 -0.769 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.961 -9.297 0.067 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.442 -7.296 -0.680 1.00 0.00 N ATOM 0 H GLN A 79 -14.725 -6.607 0.462 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.119 -9.357 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.477 -6.823 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.673 -8.163 -2.394 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -16.142 -8.104 -2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.579 -9.611 -2.100 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -17.295 -6.561 -1.372 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.106 -7.155 0.081 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.553 -7.366 -0.054 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.086 -7.334 0.131 1.00 0.00 C ATOM 1229 C TYR A 80 -9.542 -8.168 1.305 1.00 0.00 C ATOM 1230 O TYR A 80 -8.333 -8.376 1.407 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.583 -5.889 0.210 1.00 0.00 C ATOM 1232 CG TYR A 80 -9.018 -5.469 -1.149 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -7.697 -5.772 -1.450 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -9.842 -4.918 -2.123 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -7.200 -5.535 -2.723 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -9.349 -4.681 -3.400 1.00 0.00 C ATOM 1237 CZ TYR A 80 -8.023 -4.982 -3.697 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.473 -4.563 -4.863 1.00 0.00 O ATOM 0 H TYR A 80 -11.991 -6.449 0.033 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.686 -7.823 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.398 -5.225 0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.814 -5.802 0.978 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.055 -6.193 -0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -10.867 -4.674 -1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.175 -5.780 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.993 -4.264 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.174 -4.201 -5.444 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.426 -8.522 2.236 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.114 -9.487 3.311 1.00 0.00 C ATOM 1250 C VAL A 81 -10.856 -10.829 3.179 1.00 0.00 C ATOM 1251 O VAL A 81 -10.297 -11.772 2.621 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.172 -8.878 4.727 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -9.005 -7.906 4.879 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.478 -8.155 5.083 1.00 0.00 C ATOM 0 H VAL A 81 -11.377 -8.155 2.274 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.064 -9.740 3.160 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.114 -9.719 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.027 -7.463 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.065 -8.441 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.088 -7.118 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.413 -7.765 6.099 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.639 -7.331 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.311 -8.855 5.016 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.158 -10.826 3.459 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.025 -12.021 3.452 1.00 0.00 C ATOM 1266 C ALA A 82 -13.451 -12.397 2.019 1.00 0.00 C ATOM 1267 O ALA A 82 -14.541 -12.094 1.535 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.224 -11.764 4.375 1.00 0.00 C ATOM 0 H ALA A 82 -12.660 -9.973 3.705 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.473 -12.881 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.874 -12.639 4.380 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.869 -11.570 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.782 -10.900 4.015 1.00 0.00 H new ATOM 1274 N THR A 83 -12.457 -12.958 1.340 1.00 0.00 N ATOM 1275 CA THR A 83 -12.440 -13.474 -0.050 1.00 0.00 C ATOM 1276 C THR A 83 -11.082 -14.170 -0.265 1.00 0.00 C ATOM 1277 O THR A 83 -11.049 -15.366 -0.542 1.00 0.00 O ATOM 1278 CB THR A 83 -12.675 -12.370 -1.111 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.007 -11.860 -1.010 1.00 0.00 O ATOM 1280 CG2 THR A 83 -12.458 -12.829 -2.559 1.00 0.00 C ATOM 0 H THR A 83 -11.546 -13.081 1.781 1.00 0.00 H new ATOM 0 HA THR A 83 -13.265 -14.174 -0.180 1.00 0.00 H new ATOM 0 HB THR A 83 -11.930 -11.605 -0.891 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.437 -12.225 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.643 -11.995 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.432 -13.175 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.145 -13.643 -2.789 1.00 0.00 H new ATOM 1288 N ARG A 84 -9.991 -13.431 -0.039 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.620 -13.965 -0.198 1.00 0.00 C ATOM 1290 C ARG A 84 -7.763 -14.094 1.080 1.00 0.00 C ATOM 1291 O ARG A 84 -6.927 -14.990 1.164 1.00 0.00 O ATOM 1292 CB ARG A 84 -7.856 -13.202 -1.297 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.391 -11.772 -0.971 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.501 -10.721 -0.825 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.280 -10.501 -2.062 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.828 -10.063 -3.243 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.624 -9.523 -3.390 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.656 -10.002 -4.274 1.00 0.00 N ATOM 0 H ARG A 84 -10.024 -12.455 0.256 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.787 -15.000 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.978 -13.789 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.493 -13.156 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.820 -11.800 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.709 -11.445 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.179 -11.030 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.055 -9.776 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.278 -10.707 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.005 -9.430 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.318 -9.202 -4.308 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.629 -10.287 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.321 -9.670 -5.178 1.00 0.00 H new ATOM 1312 N SER A 85 -7.994 -13.219 2.062 1.00 0.00 N ATOM 1313 CA SER A 85 -7.249 -13.133 3.346 1.00 0.00 C ATOM 1314 C SER A 85 -5.727 -12.922 3.235 1.00 0.00 C ATOM 1315 O SER A 85 -4.987 -13.922 3.098 1.00 0.00 O ATOM 1316 CB SER A 85 -7.560 -14.320 4.270 1.00 0.00 C ATOM 1317 OG SER A 85 -8.950 -14.328 4.605 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.337 -11.733 3.262 1.00 99.99 O ATOM 0 H SER A 85 -8.732 -12.518 1.994 1.00 0.00 H new ATOM 0 HA SER A 85 -7.627 -12.212 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.291 -15.255 3.778 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.959 -14.253 5.177 1.00 0.00 H new ATOM 0 HG SER A 85 -9.140 -15.089 5.193 1.00 0.00 H new