USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=14 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= 1.02 K(o=1,f=0.16) 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= 0.573 K(o=0.57,f=-6.7!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -85:sc= 1.32 USER MOD Single : A 37 ASN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.322 F(o=-1.4,f=-0.32) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.102 F(o=-1,f=-0.1) USER MOD Single : A 45 SER OG : rot 24:sc= 0.741 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= 0.556 (180deg=0.208) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc=-0.00436 X(o=-0.0044,f=-0.2) USER MOD Single : A 56 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.0031) USER MOD Single : A 59 TYR OH : rot 110:sc= -0.178 USER MOD Single : A 60 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.06) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -3.63! C(o=-3.6!,f=-9.2!) USER MOD Single : A 73 THR OG1 : rot 37:sc= -0.622 USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= -0.0424 (180deg=-0.345) USER MOD Single : A 79 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.62) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 151:sc= 0.896 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.609 12.181 8.355 1.00 0.00 N ATOM 58 CA GLU A 5 -22.328 10.921 8.650 1.00 0.00 C ATOM 59 C GLU A 5 -23.613 10.750 7.806 1.00 0.00 C ATOM 60 O GLU A 5 -23.760 11.423 6.790 1.00 0.00 O ATOM 61 CB GLU A 5 -22.541 10.825 10.174 1.00 0.00 C ATOM 62 CG GLU A 5 -23.375 11.931 10.837 1.00 0.00 C ATOM 63 CD GLU A 5 -24.889 11.719 10.742 1.00 0.00 C ATOM 64 OE1 GLU A 5 -25.332 10.574 10.978 1.00 0.00 O ATOM 65 OE2 GLU A 5 -25.567 12.718 10.424 1.00 0.00 O ATOM 0 HA GLU A 5 -21.721 10.069 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.017 9.868 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.561 10.808 10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.095 12.001 11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.124 12.886 10.376 1.00 0.00 H new ATOM 72 N ALA A 6 -24.442 9.758 8.141 1.00 0.00 N ATOM 73 CA ALA A 6 -25.764 9.452 7.530 1.00 0.00 C ATOM 74 C ALA A 6 -25.840 9.141 6.017 1.00 0.00 C ATOM 75 O ALA A 6 -26.928 8.958 5.479 1.00 0.00 O ATOM 76 CB ALA A 6 -26.777 10.545 7.907 1.00 0.00 C ATOM 0 H ALA A 6 -24.207 9.103 8.886 1.00 0.00 H new ATOM 0 HA ALA A 6 -26.008 8.483 7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.743 10.316 7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.882 10.586 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.425 11.509 7.540 1.00 0.00 H new ATOM 82 N GLN A 7 -24.700 8.745 5.448 1.00 0.00 N ATOM 83 CA GLN A 7 -24.533 8.441 4.005 1.00 0.00 C ATOM 84 C GLN A 7 -25.573 7.504 3.340 1.00 0.00 C ATOM 85 O GLN A 7 -26.017 7.794 2.232 1.00 0.00 O ATOM 86 CB GLN A 7 -23.101 7.916 3.797 1.00 0.00 C ATOM 87 CG GLN A 7 -22.701 7.630 2.340 1.00 0.00 C ATOM 88 CD GLN A 7 -22.642 8.893 1.473 1.00 0.00 C ATOM 89 OE1 GLN A 7 -23.638 9.440 1.031 1.00 0.00 O ATOM 90 NE2 GLN A 7 -21.450 9.353 1.170 1.00 0.00 N ATOM 0 H GLN A 7 -23.840 8.620 5.981 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.719 9.382 3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -22.403 8.644 4.210 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.983 6.999 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -21.727 7.141 2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.414 6.931 1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -20.617 8.895 1.540 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -21.357 10.169 0.564 1.00 0.00 H new ATOM 99 N TYR A 8 -25.985 6.440 4.039 1.00 0.00 N ATOM 100 CA TYR A 8 -26.834 5.352 3.480 1.00 0.00 C ATOM 101 C TYR A 8 -27.020 4.209 4.499 1.00 0.00 C ATOM 102 O TYR A 8 -28.087 4.050 5.080 1.00 0.00 O ATOM 103 CB TYR A 8 -26.274 4.772 2.164 1.00 0.00 C ATOM 104 CG TYR A 8 -27.306 3.938 1.396 1.00 0.00 C ATOM 105 CD1 TYR A 8 -27.558 2.616 1.745 1.00 0.00 C ATOM 106 CD2 TYR A 8 -28.023 4.521 0.358 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.519 1.881 1.067 1.00 0.00 C ATOM 108 CE2 TYR A 8 -28.976 3.784 -0.332 1.00 0.00 C ATOM 109 CZ TYR A 8 -29.221 2.464 0.020 1.00 0.00 C ATOM 110 OH TYR A 8 -30.090 1.721 -0.711 1.00 0.00 O ATOM 0 H TYR A 8 -25.742 6.298 5.019 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.799 5.810 3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.929 5.589 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -25.405 4.152 2.386 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -27.002 2.158 2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -27.838 5.550 0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.721 0.859 1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -29.527 4.238 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 8 -30.498 2.282 -1.403 1.00 0.00 H new ATOM 120 N VAL A 9 -25.916 3.498 4.749 1.00 0.00 N ATOM 121 CA VAL A 9 -25.794 2.299 5.617 1.00 0.00 C ATOM 122 C VAL A 9 -26.571 1.086 5.052 1.00 0.00 C ATOM 123 O VAL A 9 -27.782 0.969 5.205 1.00 0.00 O ATOM 124 CB VAL A 9 -26.195 2.556 7.092 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.766 1.394 7.996 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.637 3.860 7.674 1.00 0.00 C ATOM 0 H VAL A 9 -25.022 3.752 4.329 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.730 2.060 5.614 1.00 0.00 H new ATOM 0 HB VAL A 9 -27.281 2.644 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.061 1.604 9.024 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.248 0.475 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.684 1.275 7.947 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.963 3.965 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.548 3.838 7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -26.003 4.705 7.091 1.00 0.00 H new ATOM 136 N ALA A 10 -25.859 0.259 4.286 1.00 0.00 N ATOM 137 CA ALA A 10 -26.365 -1.055 3.828 1.00 0.00 C ATOM 138 C ALA A 10 -25.402 -2.200 4.226 1.00 0.00 C ATOM 139 O ALA A 10 -24.489 -2.533 3.465 1.00 0.00 O ATOM 140 CB ALA A 10 -26.611 -1.013 2.315 1.00 0.00 C ATOM 0 H ALA A 10 -24.916 0.472 3.961 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.313 -1.262 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -26.983 -1.981 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -27.347 -0.242 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.677 -0.786 1.801 1.00 0.00 H new ATOM 146 N PRO A 11 -25.497 -2.694 5.472 1.00 0.00 N ATOM 147 CA PRO A 11 -24.603 -3.752 5.986 1.00 0.00 C ATOM 148 C PRO A 11 -24.842 -5.111 5.309 1.00 0.00 C ATOM 149 O PRO A 11 -25.894 -5.347 4.720 1.00 0.00 O ATOM 150 CB PRO A 11 -24.873 -3.794 7.491 1.00 0.00 C ATOM 151 CG PRO A 11 -26.335 -3.360 7.601 1.00 0.00 C ATOM 152 CD PRO A 11 -26.481 -2.304 6.502 1.00 0.00 C ATOM 0 HA PRO A 11 -23.558 -3.534 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.719 -4.793 7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -24.212 -3.121 8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -27.015 -4.198 7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.558 -2.948 8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.493 -2.291 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -26.278 -1.304 6.885 1.00 0.00 H new ATOM 160 N THR A 12 -23.767 -5.886 5.240 1.00 0.00 N ATOM 161 CA THR A 12 -23.815 -7.250 4.661 1.00 0.00 C ATOM 162 C THR A 12 -23.505 -8.314 5.732 1.00 0.00 C ATOM 163 O THR A 12 -24.410 -8.874 6.342 1.00 0.00 O ATOM 164 CB THR A 12 -22.853 -7.410 3.468 1.00 0.00 C ATOM 165 OG1 THR A 12 -22.640 -6.164 2.798 1.00 0.00 O ATOM 166 CG2 THR A 12 -23.383 -8.452 2.480 1.00 0.00 C ATOM 0 H THR A 12 -22.845 -5.606 5.574 1.00 0.00 H new ATOM 0 HA THR A 12 -24.830 -7.399 4.293 1.00 0.00 H new ATOM 0 HB THR A 12 -21.897 -7.752 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.024 -6.297 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.688 -8.549 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.482 -9.414 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 12 -24.357 -8.137 2.106 1.00 0.00 H new ATOM 174 N ASN A 13 -22.215 -8.507 5.998 1.00 0.00 N ATOM 175 CA ASN A 13 -21.692 -9.547 6.909 1.00 0.00 C ATOM 176 C ASN A 13 -21.026 -8.945 8.162 1.00 0.00 C ATOM 177 O ASN A 13 -20.964 -7.722 8.310 1.00 0.00 O ATOM 178 CB ASN A 13 -20.716 -10.422 6.104 1.00 0.00 C ATOM 179 CG ASN A 13 -19.557 -9.636 5.475 1.00 0.00 C ATOM 180 OD1 ASN A 13 -18.913 -8.797 6.092 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.329 -9.853 4.200 1.00 0.00 N ATOM 0 H ASN A 13 -21.480 -7.936 5.581 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.515 -10.154 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.308 -11.192 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.267 -10.934 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.609 -9.320 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -19.872 -10.555 3.697 1.00 0.00 H new ATOM 188 N ALA A 14 -20.434 -9.819 8.978 1.00 0.00 N ATOM 189 CA ALA A 14 -19.675 -9.442 10.191 1.00 0.00 C ATOM 190 C ALA A 14 -18.627 -8.342 9.935 1.00 0.00 C ATOM 191 O ALA A 14 -18.856 -7.216 10.361 1.00 0.00 O ATOM 192 CB ALA A 14 -19.024 -10.687 10.803 1.00 0.00 C ATOM 0 H ALA A 14 -20.464 -10.826 8.820 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.388 -9.017 10.897 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.466 -10.404 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.797 -11.407 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.345 -11.136 10.078 1.00 0.00 H new ATOM 198 N VAL A 15 -17.713 -8.591 8.992 1.00 0.00 N ATOM 199 CA VAL A 15 -16.641 -7.647 8.584 1.00 0.00 C ATOM 200 C VAL A 15 -17.231 -6.270 8.209 1.00 0.00 C ATOM 201 O VAL A 15 -16.958 -5.281 8.885 1.00 0.00 O ATOM 202 CB VAL A 15 -15.818 -8.271 7.431 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.740 -7.335 6.872 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.130 -9.562 7.889 1.00 0.00 C ATOM 0 H VAL A 15 -17.688 -9.469 8.474 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.968 -7.474 9.423 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.541 -8.471 6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.203 -7.838 6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.209 -6.430 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.041 -7.071 7.665 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.558 -9.982 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.459 -9.342 8.720 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.883 -10.281 8.211 1.00 0.00 H new ATOM 214 N GLU A 16 -18.222 -6.309 7.318 1.00 0.00 N ATOM 215 CA GLU A 16 -19.015 -5.142 6.877 1.00 0.00 C ATOM 216 C GLU A 16 -19.592 -4.316 8.042 1.00 0.00 C ATOM 217 O GLU A 16 -19.117 -3.213 8.307 1.00 0.00 O ATOM 218 CB GLU A 16 -20.137 -5.625 5.951 1.00 0.00 C ATOM 219 CG GLU A 16 -19.703 -5.728 4.485 1.00 0.00 C ATOM 220 CD GLU A 16 -19.772 -4.380 3.755 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.723 -3.615 4.032 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.842 -4.126 2.965 1.00 0.00 O ATOM 0 H GLU A 16 -18.510 -7.176 6.865 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.341 -4.471 6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.485 -6.601 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.982 -4.941 6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.684 -6.111 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.339 -6.449 3.971 1.00 0.00 H new ATOM 229 N SER A 17 -20.483 -4.940 8.812 1.00 0.00 N ATOM 230 CA SER A 17 -21.218 -4.282 9.915 1.00 0.00 C ATOM 231 C SER A 17 -20.314 -3.864 11.089 1.00 0.00 C ATOM 232 O SER A 17 -20.254 -2.682 11.426 1.00 0.00 O ATOM 233 CB SER A 17 -22.348 -5.191 10.410 1.00 0.00 C ATOM 234 OG SER A 17 -23.171 -4.478 11.335 1.00 0.00 O ATOM 0 H SER A 17 -20.724 -5.924 8.695 1.00 0.00 H new ATOM 0 HA SER A 17 -21.634 -3.361 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.947 -5.535 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.931 -6.078 10.888 1.00 0.00 H new ATOM 0 HG SER A 17 -23.893 -5.062 11.648 1.00 0.00 H new ATOM 240 N LYS A 18 -19.449 -4.785 11.517 1.00 0.00 N ATOM 241 CA LYS A 18 -18.509 -4.581 12.639 1.00 0.00 C ATOM 242 C LYS A 18 -17.546 -3.420 12.348 1.00 0.00 C ATOM 243 O LYS A 18 -17.530 -2.444 13.095 1.00 0.00 O ATOM 244 CB LYS A 18 -17.726 -5.876 12.901 1.00 0.00 C ATOM 245 CG LYS A 18 -16.933 -5.875 14.213 1.00 0.00 C ATOM 246 CD LYS A 18 -17.856 -5.939 15.432 1.00 0.00 C ATOM 247 CE LYS A 18 -17.046 -6.017 16.726 1.00 0.00 C ATOM 248 NZ LYS A 18 -17.936 -6.159 17.887 1.00 0.00 N ATOM 0 H LYS A 18 -19.375 -5.710 11.093 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.082 -4.323 13.530 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.424 -6.714 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.037 -6.045 12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.252 -6.726 14.227 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.320 -4.975 14.267 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -18.499 -5.059 15.453 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -18.509 -6.809 15.354 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.360 -6.863 16.681 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.438 -5.119 16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.367 -6.210 18.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.573 -5.339 17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.498 -7.029 17.789 1.00 0.00 H new ATOM 262 N LEU A 19 -16.893 -3.458 11.186 1.00 0.00 N ATOM 263 CA LEU A 19 -16.006 -2.359 10.764 1.00 0.00 C ATOM 264 C LEU A 19 -16.742 -1.040 10.496 1.00 0.00 C ATOM 265 O LEU A 19 -16.249 -0.008 10.934 1.00 0.00 O ATOM 266 CB LEU A 19 -15.111 -2.747 9.585 1.00 0.00 C ATOM 267 CG LEU A 19 -14.012 -3.745 9.966 1.00 0.00 C ATOM 268 CD1 LEU A 19 -13.367 -4.290 8.693 1.00 0.00 C ATOM 269 CD2 LEU A 19 -12.933 -3.084 10.831 1.00 0.00 C ATOM 0 H LEU A 19 -16.957 -4.229 10.521 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.359 -2.178 11.622 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.727 -3.178 8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -14.651 -1.848 9.175 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.467 -4.551 10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.584 -5.001 8.957 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.123 -4.791 8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.933 -3.468 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.169 -3.819 11.084 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.477 -2.262 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.385 -2.701 11.746 1.00 0.00 H new ATOM 281 N ALA A 20 -17.959 -1.080 9.947 1.00 0.00 N ATOM 282 CA ALA A 20 -18.816 0.123 9.829 1.00 0.00 C ATOM 283 C ALA A 20 -19.127 0.765 11.196 1.00 0.00 C ATOM 284 O ALA A 20 -18.982 1.977 11.360 1.00 0.00 O ATOM 285 CB ALA A 20 -20.119 -0.215 9.101 1.00 0.00 C ATOM 0 H ALA A 20 -18.382 -1.930 9.574 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.253 0.853 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.736 0.681 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.892 -0.586 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.659 -0.980 9.658 1.00 0.00 H new ATOM 291 N GLU A 21 -19.426 -0.082 12.184 1.00 0.00 N ATOM 292 CA GLU A 21 -19.567 0.298 13.607 1.00 0.00 C ATOM 293 C GLU A 21 -18.267 0.927 14.152 1.00 0.00 C ATOM 294 O GLU A 21 -18.284 2.066 14.617 1.00 0.00 O ATOM 295 CB GLU A 21 -19.972 -0.951 14.402 1.00 0.00 C ATOM 296 CG GLU A 21 -20.204 -0.699 15.895 1.00 0.00 C ATOM 297 CD GLU A 21 -20.444 -2.019 16.633 1.00 0.00 C ATOM 298 OE1 GLU A 21 -19.435 -2.630 17.051 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.630 -2.394 16.762 1.00 0.00 O ATOM 0 H GLU A 21 -19.582 -1.077 12.021 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.340 1.059 13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.883 -1.363 13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.195 -1.707 14.289 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.340 -0.189 16.322 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.062 -0.040 16.029 1.00 0.00 H new ATOM 306 N ILE A 22 -17.145 0.240 13.929 1.00 0.00 N ATOM 307 CA ILE A 22 -15.791 0.726 14.279 1.00 0.00 C ATOM 308 C ILE A 22 -15.530 2.108 13.647 1.00 0.00 C ATOM 309 O ILE A 22 -15.358 3.080 14.377 1.00 0.00 O ATOM 310 CB ILE A 22 -14.732 -0.337 13.891 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.925 -1.668 14.644 1.00 0.00 C ATOM 312 CG2 ILE A 22 -13.278 0.151 13.991 1.00 0.00 C ATOM 313 CD1 ILE A 22 -14.964 -1.595 16.179 1.00 0.00 C ATOM 0 H ILE A 22 -17.141 -0.683 13.495 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.716 0.868 15.357 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.913 -0.521 12.832 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.856 -2.121 14.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.118 -2.342 14.356 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.603 -0.655 13.702 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.133 1.002 13.325 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.065 0.452 15.017 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -15.104 -2.596 16.587 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.026 -1.181 16.548 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.790 -0.956 16.492 1.00 0.00 H new ATOM 325 N TRP A 23 -15.748 2.214 12.340 1.00 0.00 N ATOM 326 CA TRP A 23 -15.600 3.464 11.570 1.00 0.00 C ATOM 327 C TRP A 23 -16.458 4.621 12.101 1.00 0.00 C ATOM 328 O TRP A 23 -15.887 5.583 12.605 1.00 0.00 O ATOM 329 CB TRP A 23 -15.861 3.220 10.078 1.00 0.00 C ATOM 330 CG TRP A 23 -14.792 2.355 9.398 1.00 0.00 C ATOM 331 CD1 TRP A 23 -15.042 1.293 8.634 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.426 2.369 9.641 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.914 0.616 8.421 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.908 1.238 9.033 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.586 3.245 10.323 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.555 0.952 9.138 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.231 2.966 10.423 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.720 1.811 9.845 1.00 0.00 C ATOM 0 H TRP A 23 -16.039 1.422 11.766 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.565 3.779 11.701 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.832 2.739 9.962 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.918 4.181 9.566 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.012 1.021 8.246 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.834 -0.242 7.876 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.989 4.140 10.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -11.151 0.065 8.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.575 3.645 10.949 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.670 1.579 9.945 1.00 0.00 H new ATOM 349 N GLU A 24 -17.768 4.415 12.228 1.00 0.00 N ATOM 350 CA GLU A 24 -18.701 5.452 12.739 1.00 0.00 C ATOM 351 C GLU A 24 -18.401 5.972 14.160 1.00 0.00 C ATOM 352 O GLU A 24 -18.876 7.044 14.534 1.00 0.00 O ATOM 353 CB GLU A 24 -20.160 4.996 12.601 1.00 0.00 C ATOM 354 CG GLU A 24 -20.562 3.780 13.443 1.00 0.00 C ATOM 355 CD GLU A 24 -21.878 3.130 13.001 1.00 0.00 C ATOM 356 OE1 GLU A 24 -22.178 3.179 11.784 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.547 2.567 13.892 1.00 0.00 O ATOM 0 H GLU A 24 -18.223 3.535 11.985 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.533 6.317 12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.808 5.830 12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.352 4.768 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.766 3.037 13.394 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.650 4.085 14.486 1.00 0.00 H new ATOM 364 N ARG A 25 -17.787 5.100 14.959 1.00 0.00 N ATOM 365 CA ARG A 25 -17.240 5.393 16.298 1.00 0.00 C ATOM 366 C ARG A 25 -15.886 6.136 16.210 1.00 0.00 C ATOM 367 O ARG A 25 -15.797 7.317 16.544 1.00 0.00 O ATOM 368 CB ARG A 25 -17.106 4.034 16.992 1.00 0.00 C ATOM 369 CG ARG A 25 -16.870 4.082 18.500 1.00 0.00 C ATOM 370 CD ARG A 25 -16.560 2.662 18.972 1.00 0.00 C ATOM 371 NE ARG A 25 -16.585 2.575 20.442 1.00 0.00 N ATOM 372 CZ ARG A 25 -16.142 1.552 21.176 1.00 0.00 C ATOM 373 NH1 ARG A 25 -15.382 0.590 20.668 1.00 0.00 N ATOM 374 NH2 ARG A 25 -16.314 1.563 22.489 1.00 0.00 N ATOM 0 H ARG A 25 -17.648 4.127 14.686 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.892 6.060 16.861 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -18.012 3.459 16.803 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.281 3.491 16.531 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.043 4.752 18.736 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.750 4.471 19.012 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.288 1.968 18.551 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.580 2.359 18.603 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.977 3.370 20.946 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -15.116 0.616 19.684 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -15.063 -0.175 21.262 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.783 2.351 22.935 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.977 0.783 23.054 1.00 0.00 H new ATOM 388 N VAL A 26 -14.898 5.478 15.601 1.00 0.00 N ATOM 389 CA VAL A 26 -13.488 5.923 15.473 1.00 0.00 C ATOM 390 C VAL A 26 -13.320 7.249 14.697 1.00 0.00 C ATOM 391 O VAL A 26 -12.546 8.107 15.113 1.00 0.00 O ATOM 392 CB VAL A 26 -12.657 4.751 14.900 1.00 0.00 C ATOM 393 CG1 VAL A 26 -11.217 5.113 14.520 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.579 3.611 15.924 1.00 0.00 C ATOM 0 H VAL A 26 -15.056 4.573 15.158 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.105 6.174 16.462 1.00 0.00 H new ATOM 0 HB VAL A 26 -13.180 4.461 13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.711 4.231 14.128 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.227 5.894 13.759 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.687 5.473 15.402 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.992 2.791 15.511 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.105 3.973 16.836 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.585 3.258 16.153 1.00 0.00 H new ATOM 404 N LEU A 27 -14.098 7.423 13.631 1.00 0.00 N ATOM 405 CA LEU A 27 -14.188 8.665 12.828 1.00 0.00 C ATOM 406 C LEU A 27 -14.621 9.904 13.642 1.00 0.00 C ATOM 407 O LEU A 27 -14.262 11.030 13.304 1.00 0.00 O ATOM 408 CB LEU A 27 -15.148 8.356 11.667 1.00 0.00 C ATOM 409 CG LEU A 27 -15.616 9.498 10.758 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.916 8.924 9.374 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.909 10.122 11.294 1.00 0.00 C ATOM 0 H LEU A 27 -14.709 6.685 13.281 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.200 8.942 12.460 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.668 7.609 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.037 7.890 12.092 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.835 10.257 10.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.251 9.724 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.014 8.469 8.965 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.698 8.169 9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.224 10.930 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.690 9.362 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.735 10.518 12.295 1.00 0.00 H new ATOM 423 N GLY A 28 -15.320 9.640 14.752 1.00 0.00 N ATOM 424 CA GLY A 28 -16.011 10.663 15.556 1.00 0.00 C ATOM 425 C GLY A 28 -17.491 10.281 15.654 1.00 0.00 C ATOM 426 O GLY A 28 -18.245 10.497 14.704 1.00 0.00 O ATOM 0 H GLY A 28 -15.425 8.697 15.125 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.569 10.727 16.550 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.902 11.645 15.095 1.00 0.00 H new ATOM 430 N VAL A 29 -17.742 9.435 16.652 1.00 0.00 N ATOM 431 CA VAL A 29 -19.057 8.883 17.055 1.00 0.00 C ATOM 432 C VAL A 29 -20.285 9.710 16.621 1.00 0.00 C ATOM 433 O VAL A 29 -20.611 10.753 17.185 1.00 0.00 O ATOM 434 CB VAL A 29 -19.017 8.484 18.548 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.835 9.661 19.515 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.213 7.607 18.932 1.00 0.00 C ATOM 0 H VAL A 29 -16.990 9.087 17.247 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.221 7.973 16.478 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.111 7.888 18.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.818 9.291 20.540 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.896 10.169 19.297 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.662 10.361 19.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.149 7.347 19.989 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.138 8.153 18.748 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.203 6.696 18.333 1.00 0.00 H new ATOM 446 N SER A 30 -20.815 9.278 15.482 1.00 0.00 N ATOM 447 CA SER A 30 -21.916 9.970 14.772 1.00 0.00 C ATOM 448 C SER A 30 -22.863 9.037 14.001 1.00 0.00 C ATOM 449 O SER A 30 -24.076 9.117 14.183 1.00 0.00 O ATOM 450 CB SER A 30 -21.354 11.053 13.840 1.00 0.00 C ATOM 451 OG SER A 30 -20.326 10.508 13.002 1.00 0.00 O ATOM 0 H SER A 30 -20.498 8.431 15.011 1.00 0.00 H new ATOM 0 HA SER A 30 -22.526 10.427 15.551 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.155 11.463 13.224 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.952 11.877 14.430 1.00 0.00 H new ATOM 0 HG SER A 30 -19.469 10.536 13.476 1.00 0.00 H new ATOM 457 N GLY A 31 -22.299 8.273 13.054 1.00 0.00 N ATOM 458 CA GLY A 31 -23.049 7.226 12.325 1.00 0.00 C ATOM 459 C GLY A 31 -22.939 7.349 10.800 1.00 0.00 C ATOM 460 O GLY A 31 -23.762 7.986 10.148 1.00 0.00 O ATOM 0 H GLY A 31 -21.323 8.357 12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.681 6.246 12.631 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -24.100 7.276 12.611 1.00 0.00 H new ATOM 464 N ILE A 32 -21.997 6.596 10.240 1.00 0.00 N ATOM 465 CA ILE A 32 -21.659 6.674 8.801 1.00 0.00 C ATOM 466 C ILE A 32 -22.149 5.447 8.014 1.00 0.00 C ATOM 467 O ILE A 32 -22.422 4.390 8.579 1.00 0.00 O ATOM 468 CB ILE A 32 -20.153 6.891 8.543 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.288 5.737 9.075 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.717 8.253 9.094 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.909 5.668 8.413 1.00 0.00 C ATOM 0 H ILE A 32 -21.442 5.914 10.758 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.190 7.554 8.438 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.994 6.894 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.163 5.851 10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.810 4.794 8.913 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.653 8.397 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.282 9.043 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.905 8.289 10.167 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.346 4.833 8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -18.028 5.524 7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.370 6.597 8.597 1.00 0.00 H new ATOM 483 N GLY A 33 -22.119 5.604 6.686 1.00 0.00 N ATOM 484 CA GLY A 33 -22.526 4.546 5.742 1.00 0.00 C ATOM 485 C GLY A 33 -21.358 3.624 5.368 1.00 0.00 C ATOM 486 O GLY A 33 -20.194 3.999 5.470 1.00 0.00 O ATOM 0 H GLY A 33 -21.813 6.465 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.327 3.954 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.930 5.003 4.839 1.00 0.00 H new ATOM 490 N ILE A 34 -21.724 2.448 4.870 1.00 0.00 N ATOM 491 CA ILE A 34 -20.810 1.458 4.246 1.00 0.00 C ATOM 492 C ILE A 34 -19.819 2.111 3.252 1.00 0.00 C ATOM 493 O ILE A 34 -18.611 1.909 3.351 1.00 0.00 O ATOM 494 CB ILE A 34 -21.697 0.371 3.592 1.00 0.00 C ATOM 495 CG1 ILE A 34 -22.583 -0.344 4.629 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.963 -0.620 2.675 1.00 0.00 C ATOM 497 CD1 ILE A 34 -21.891 -1.053 5.802 1.00 0.00 C ATOM 0 H ILE A 34 -22.694 2.133 4.883 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.167 1.005 5.001 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.344 0.925 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -23.272 0.392 5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -23.185 -1.083 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.676 -1.338 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.490 -0.077 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.201 -1.149 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.643 -1.509 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.225 -1.826 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.313 -0.328 6.376 1.00 0.00 H new ATOM 509 N LEU A 35 -20.377 2.896 2.332 1.00 0.00 N ATOM 510 CA LEU A 35 -19.642 3.762 1.384 1.00 0.00 C ATOM 511 C LEU A 35 -18.815 4.883 2.053 1.00 0.00 C ATOM 512 O LEU A 35 -17.779 5.289 1.534 1.00 0.00 O ATOM 513 CB LEU A 35 -20.674 4.374 0.425 1.00 0.00 C ATOM 514 CG LEU A 35 -20.095 5.300 -0.655 1.00 0.00 C ATOM 515 CD1 LEU A 35 -19.309 4.522 -1.713 1.00 0.00 C ATOM 516 CD2 LEU A 35 -21.216 6.126 -1.290 1.00 0.00 C ATOM 0 H LEU A 35 -21.388 2.956 2.214 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.911 3.141 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.215 3.565 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -21.402 4.936 1.010 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.388 5.978 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.917 5.215 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -18.482 3.995 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.967 3.802 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -20.797 6.780 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -21.948 5.458 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.703 6.729 -0.523 1.00 0.00 H new ATOM 528 N ASP A 36 -19.260 5.317 3.233 1.00 0.00 N ATOM 529 CA ASP A 36 -18.795 6.532 3.938 1.00 0.00 C ATOM 530 C ASP A 36 -18.687 7.785 3.040 1.00 0.00 C ATOM 531 O ASP A 36 -19.197 7.787 1.922 1.00 0.00 O ATOM 532 CB ASP A 36 -17.537 6.214 4.769 1.00 0.00 C ATOM 533 CG ASP A 36 -16.336 5.652 3.998 1.00 0.00 C ATOM 534 OD1 ASP A 36 -15.545 6.514 3.561 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.203 4.409 3.971 1.00 0.00 O ATOM 0 H ASP A 36 -19.983 4.818 3.752 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.573 6.827 4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -17.222 7.127 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.811 5.498 5.544 1.00 0.00 H new ATOM 540 N ASN A 37 -18.185 8.892 3.587 1.00 0.00 N ATOM 541 CA ASN A 37 -17.961 10.115 2.783 1.00 0.00 C ATOM 542 C ASN A 37 -16.519 10.199 2.222 1.00 0.00 C ATOM 543 O ASN A 37 -15.994 11.286 1.994 1.00 0.00 O ATOM 544 CB ASN A 37 -18.325 11.334 3.645 1.00 0.00 C ATOM 545 CG ASN A 37 -18.930 12.494 2.837 1.00 0.00 C ATOM 546 OD1 ASN A 37 -20.137 12.677 2.763 1.00 0.00 O ATOM 547 ND2 ASN A 37 -18.096 13.278 2.191 1.00 0.00 N ATOM 0 H ASN A 37 -17.925 8.977 4.570 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.604 10.090 1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -19.034 11.027 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.431 11.686 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.454 14.046 1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.091 13.119 2.258 1.00 0.00 H new ATOM 554 N PHE A 38 -15.888 9.028 2.073 1.00 0.00 N ATOM 555 CA PHE A 38 -14.557 8.785 1.462 1.00 0.00 C ATOM 556 C PHE A 38 -13.453 9.852 1.637 1.00 0.00 C ATOM 557 O PHE A 38 -12.684 10.172 0.734 1.00 0.00 O ATOM 558 CB PHE A 38 -14.739 8.312 0.009 1.00 0.00 C ATOM 559 CG PHE A 38 -15.721 9.163 -0.798 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.308 10.373 -1.339 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.063 8.801 -0.832 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.243 11.234 -1.897 1.00 0.00 C ATOM 563 CE2 PHE A 38 -17.999 9.664 -1.387 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.589 10.882 -1.917 1.00 0.00 C ATOM 0 H PHE A 38 -16.315 8.160 2.395 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.121 7.992 2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.770 8.320 -0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.086 7.279 0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.263 10.644 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.377 7.850 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.926 12.178 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.043 9.389 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.316 11.556 -2.345 1.00 0.00 H new ATOM 574 N PHE A 39 -13.385 10.345 2.870 1.00 0.00 N ATOM 575 CA PHE A 39 -12.449 11.403 3.297 1.00 0.00 C ATOM 576 C PHE A 39 -11.869 11.079 4.691 1.00 0.00 C ATOM 577 O PHE A 39 -10.864 10.380 4.815 1.00 0.00 O ATOM 578 CB PHE A 39 -13.223 12.731 3.234 1.00 0.00 C ATOM 579 CG PHE A 39 -12.355 13.980 3.397 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.759 14.540 2.273 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.348 14.675 4.603 1.00 0.00 C ATOM 582 CE1 PHE A 39 -11.177 15.799 2.346 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.761 15.932 4.676 1.00 0.00 C ATOM 584 CZ PHE A 39 -11.179 16.497 3.547 1.00 0.00 C ATOM 0 H PHE A 39 -13.989 10.019 3.624 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.580 11.475 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.744 12.788 2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.985 12.730 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.748 13.995 1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.799 14.237 5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.723 16.235 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.757 16.471 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.729 17.477 3.604 1.00 0.00 H new ATOM 594 N GLN A 40 -12.646 11.418 5.719 1.00 0.00 N ATOM 595 CA GLN A 40 -12.335 11.235 7.156 1.00 0.00 C ATOM 596 C GLN A 40 -12.350 9.792 7.724 1.00 0.00 C ATOM 597 O GLN A 40 -12.699 9.562 8.879 1.00 0.00 O ATOM 598 CB GLN A 40 -13.218 12.200 7.965 1.00 0.00 C ATOM 599 CG GLN A 40 -14.721 12.044 7.691 1.00 0.00 C ATOM 600 CD GLN A 40 -15.577 13.024 8.497 1.00 0.00 C ATOM 601 OE1 GLN A 40 -16.721 12.554 8.934 1.00 0.00 O flip ATOM 602 NE2 GLN A 40 -15.310 14.213 8.602 1.00 0.00 N flip ATOM 0 H GLN A 40 -13.559 11.851 5.576 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.277 11.474 7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.034 12.042 9.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.922 13.224 7.739 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.909 12.194 6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.025 11.024 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.417 14.567 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.980 14.850 9.033 1.00 0.00 H new ATOM 611 N ILE A 41 -11.894 8.838 6.915 1.00 0.00 N ATOM 612 CA ILE A 41 -11.707 7.431 7.351 1.00 0.00 C ATOM 613 C ILE A 41 -10.220 7.035 7.436 1.00 0.00 C ATOM 614 O ILE A 41 -9.809 6.367 8.383 1.00 0.00 O ATOM 615 CB ILE A 41 -12.522 6.376 6.563 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.137 6.137 5.087 1.00 0.00 C ATOM 617 CG2 ILE A 41 -14.027 6.576 6.781 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.252 7.316 4.113 1.00 0.00 C ATOM 0 H ILE A 41 -11.641 9.004 5.941 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.128 7.418 8.356 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.224 5.425 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.106 5.784 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.760 5.327 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.579 5.824 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.257 6.477 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.315 7.570 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.948 6.996 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.285 7.664 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.605 8.128 4.446 1.00 0.00 H new ATOM 630 N GLY A 42 -9.442 7.460 6.427 1.00 0.00 N ATOM 631 CA GLY A 42 -7.969 7.328 6.426 1.00 0.00 C ATOM 632 C GLY A 42 -7.254 8.184 7.479 1.00 0.00 C ATOM 633 O GLY A 42 -6.323 7.713 8.131 1.00 0.00 O ATOM 0 H GLY A 42 -9.813 7.905 5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.710 6.282 6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.593 7.599 5.439 1.00 0.00 H new ATOM 637 N GLY A 43 -7.650 9.465 7.512 1.00 0.00 N ATOM 638 CA GLY A 43 -7.138 10.467 8.470 1.00 0.00 C ATOM 639 C GLY A 43 -5.641 10.778 8.317 1.00 0.00 C ATOM 640 O GLY A 43 -4.783 9.963 8.660 1.00 0.00 O ATOM 0 H GLY A 43 -8.344 9.843 6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.704 11.391 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.322 10.111 9.484 1.00 0.00 H new ATOM 644 N HIS A 44 -5.374 12.029 7.940 1.00 0.00 N ATOM 645 CA HIS A 44 -4.012 12.588 7.767 1.00 0.00 C ATOM 646 C HIS A 44 -3.319 12.901 9.114 1.00 0.00 C ATOM 647 O HIS A 44 -2.925 14.025 9.426 1.00 0.00 O ATOM 648 CB HIS A 44 -4.062 13.809 6.825 1.00 0.00 C ATOM 649 CG HIS A 44 -4.779 15.058 7.369 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.981 15.118 7.941 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -4.302 16.298 7.306 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -6.240 16.385 8.235 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -5.201 17.117 7.845 1.00 0.00 N flip ATOM 0 H HIS A 44 -6.109 12.707 7.739 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.389 11.825 7.300 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.039 14.086 6.568 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.553 13.508 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.349 16.590 6.889 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -7.137 16.757 8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.109 18.128 7.942 1.00 0.00 H new ATOM 662 N SER A 45 -3.242 11.854 9.928 1.00 0.00 N ATOM 663 CA SER A 45 -2.777 11.839 11.334 1.00 0.00 C ATOM 664 C SER A 45 -2.613 10.379 11.805 1.00 0.00 C ATOM 665 O SER A 45 -2.534 9.473 10.973 1.00 0.00 O ATOM 666 CB SER A 45 -3.788 12.595 12.215 1.00 0.00 C ATOM 667 OG SER A 45 -3.655 14.003 12.027 1.00 0.00 O ATOM 0 H SER A 45 -3.519 10.924 9.614 1.00 0.00 H new ATOM 0 HA SER A 45 -1.811 12.337 11.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.802 12.282 11.966 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.625 12.345 13.263 1.00 0.00 H new ATOM 0 HG SER A 45 -3.248 14.179 11.153 1.00 0.00 H new ATOM 673 N LEU A 46 -2.686 10.137 13.119 1.00 0.00 N ATOM 674 CA LEU A 46 -2.561 8.794 13.731 1.00 0.00 C ATOM 675 C LEU A 46 -3.507 7.702 13.190 1.00 0.00 C ATOM 676 O LEU A 46 -3.218 6.513 13.329 1.00 0.00 O ATOM 677 CB LEU A 46 -2.664 8.854 15.265 1.00 0.00 C ATOM 678 CG LEU A 46 -4.048 9.208 15.832 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.171 8.635 17.243 1.00 0.00 C ATOM 680 CD2 LEU A 46 -4.266 10.723 15.894 1.00 0.00 C ATOM 0 H LEU A 46 -2.836 10.877 13.805 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.562 8.483 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.364 7.887 15.668 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.945 9.588 15.630 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.802 8.781 15.170 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.151 8.882 17.652 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.056 7.552 17.207 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.395 9.062 17.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.256 10.932 16.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.508 11.174 16.535 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.189 11.143 14.891 1.00 0.00 H new ATOM 692 N LYS A 47 -4.607 8.105 12.555 1.00 0.00 N ATOM 693 CA LYS A 47 -5.579 7.174 11.945 1.00 0.00 C ATOM 694 C LYS A 47 -4.979 6.193 10.929 1.00 0.00 C ATOM 695 O LYS A 47 -5.167 4.992 11.100 1.00 0.00 O ATOM 696 CB LYS A 47 -6.787 7.921 11.367 1.00 0.00 C ATOM 697 CG LYS A 47 -7.645 8.523 12.484 1.00 0.00 C ATOM 698 CD LYS A 47 -8.245 7.431 13.378 1.00 0.00 C ATOM 699 CE LYS A 47 -8.582 7.951 14.778 1.00 0.00 C ATOM 700 NZ LYS A 47 -9.697 8.908 14.775 1.00 0.00 N ATOM 0 H LYS A 47 -4.858 9.088 12.444 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.922 6.546 12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.445 8.712 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.390 7.238 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.038 9.197 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.446 9.120 12.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.148 7.037 12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.541 6.603 13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.833 7.109 15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.700 8.428 15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.567 9.594 15.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.721 9.410 13.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.593 8.398 14.913 1.00 0.00 H new ATOM 714 N ALA A 48 -4.049 6.668 10.096 1.00 0.00 N ATOM 715 CA ALA A 48 -3.247 5.791 9.213 1.00 0.00 C ATOM 716 C ALA A 48 -2.543 4.642 9.971 1.00 0.00 C ATOM 717 O ALA A 48 -2.708 3.481 9.601 1.00 0.00 O ATOM 718 CB ALA A 48 -2.221 6.635 8.452 1.00 0.00 C ATOM 0 H ALA A 48 -3.826 7.659 10.008 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.938 5.317 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.630 5.990 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.739 7.381 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.563 7.135 9.162 1.00 0.00 H new ATOM 724 N MET A 49 -1.987 4.964 11.141 1.00 0.00 N ATOM 725 CA MET A 49 -1.348 4.000 12.068 1.00 0.00 C ATOM 726 C MET A 49 -2.369 3.039 12.711 1.00 0.00 C ATOM 727 O MET A 49 -2.220 1.820 12.631 1.00 0.00 O ATOM 728 CB MET A 49 -0.597 4.736 13.188 1.00 0.00 C ATOM 729 CG MET A 49 0.535 5.645 12.701 1.00 0.00 C ATOM 730 SD MET A 49 1.917 4.744 11.911 1.00 0.00 S ATOM 731 CE MET A 49 3.058 6.093 11.690 1.00 0.00 C ATOM 0 H MET A 49 -1.963 5.923 11.487 1.00 0.00 H new ATOM 0 HA MET A 49 -0.651 3.416 11.467 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.310 5.336 13.753 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.184 3.999 13.877 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.130 6.365 11.990 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.921 6.214 13.547 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.968 5.726 11.216 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.602 6.855 11.058 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.303 6.525 12.660 1.00 0.00 H new ATOM 741 N ALA A 50 -3.444 3.610 13.259 1.00 0.00 N ATOM 742 CA ALA A 50 -4.560 2.860 13.876 1.00 0.00 C ATOM 743 C ALA A 50 -5.242 1.877 12.902 1.00 0.00 C ATOM 744 O ALA A 50 -5.583 0.749 13.265 1.00 0.00 O ATOM 745 CB ALA A 50 -5.585 3.854 14.428 1.00 0.00 C ATOM 0 H ALA A 50 -3.573 4.621 13.291 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.143 2.253 14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.411 3.309 14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.110 4.488 15.177 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.964 4.474 13.616 1.00 0.00 H new ATOM 751 N VAL A 51 -5.408 2.314 11.656 1.00 0.00 N ATOM 752 CA VAL A 51 -5.915 1.449 10.573 1.00 0.00 C ATOM 753 C VAL A 51 -4.848 0.415 10.155 1.00 0.00 C ATOM 754 O VAL A 51 -5.168 -0.767 10.083 1.00 0.00 O ATOM 755 CB VAL A 51 -6.461 2.224 9.359 1.00 0.00 C ATOM 756 CG1 VAL A 51 -7.231 1.259 8.457 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.410 3.367 9.739 1.00 0.00 C ATOM 0 H VAL A 51 -5.199 3.268 11.362 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.774 0.919 10.984 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.598 2.661 8.858 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.621 1.800 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.563 0.467 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.058 0.821 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.756 3.869 8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.266 2.964 10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.884 4.082 10.372 1.00 0.00 H new ATOM 767 N ALA A 52 -3.583 0.821 10.034 1.00 0.00 N ATOM 768 CA ALA A 52 -2.464 -0.113 9.765 1.00 0.00 C ATOM 769 C ALA A 52 -2.420 -1.287 10.762 1.00 0.00 C ATOM 770 O ALA A 52 -2.370 -2.439 10.338 1.00 0.00 O ATOM 771 CB ALA A 52 -1.123 0.624 9.788 1.00 0.00 C ATOM 0 H ALA A 52 -3.296 1.796 10.117 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.641 -0.525 8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.317 -0.082 9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.122 1.402 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.974 1.077 10.768 1.00 0.00 H new ATOM 777 N ALA A 53 -2.672 -0.980 12.037 1.00 0.00 N ATOM 778 CA ALA A 53 -2.823 -1.981 13.114 1.00 0.00 C ATOM 779 C ALA A 53 -3.915 -3.029 12.811 1.00 0.00 C ATOM 780 O ALA A 53 -3.591 -4.199 12.614 1.00 0.00 O ATOM 781 CB ALA A 53 -3.091 -1.266 14.443 1.00 0.00 C ATOM 0 H ALA A 53 -2.780 -0.019 12.362 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.888 -2.538 13.183 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.202 -2.004 15.237 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.256 -0.606 14.676 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.006 -0.679 14.362 1.00 0.00 H new ATOM 787 N GLN A 54 -5.155 -2.580 12.603 1.00 0.00 N ATOM 788 CA GLN A 54 -6.284 -3.473 12.245 1.00 0.00 C ATOM 789 C GLN A 54 -6.121 -4.183 10.883 1.00 0.00 C ATOM 790 O GLN A 54 -6.410 -5.371 10.758 1.00 0.00 O ATOM 791 CB GLN A 54 -7.637 -2.754 12.369 1.00 0.00 C ATOM 792 CG GLN A 54 -7.819 -1.580 11.401 1.00 0.00 C ATOM 793 CD GLN A 54 -9.091 -0.777 11.672 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.167 -1.073 11.179 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.960 0.284 12.441 1.00 0.00 N ATOM 0 H GLN A 54 -5.414 -1.596 12.675 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.266 -4.276 12.982 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.436 -3.476 12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.749 -2.389 13.390 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.956 -0.919 11.474 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.845 -1.959 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.051 0.513 12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.767 0.876 12.635 1.00 0.00 H new ATOM 804 N VAL A 55 -5.545 -3.480 9.912 1.00 0.00 N ATOM 805 CA VAL A 55 -5.222 -4.018 8.571 1.00 0.00 C ATOM 806 C VAL A 55 -4.089 -5.074 8.605 1.00 0.00 C ATOM 807 O VAL A 55 -3.953 -5.884 7.689 1.00 0.00 O ATOM 808 CB VAL A 55 -5.029 -2.857 7.572 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.638 -3.302 6.160 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.349 -2.100 7.411 1.00 0.00 C ATOM 0 H VAL A 55 -5.280 -2.502 10.026 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.069 -4.594 8.199 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.223 -2.254 7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.522 -2.426 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.696 -3.850 6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.417 -3.947 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.214 -1.280 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.115 -2.779 7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.660 -1.701 8.377 1.00 0.00 H new ATOM 820 N HIS A 56 -3.241 -5.006 9.626 1.00 0.00 N ATOM 821 CA HIS A 56 -2.278 -6.079 9.932 1.00 0.00 C ATOM 822 C HIS A 56 -2.924 -7.248 10.703 1.00 0.00 C ATOM 823 O HIS A 56 -3.007 -8.351 10.169 1.00 0.00 O ATOM 824 CB HIS A 56 -1.081 -5.476 10.679 1.00 0.00 C ATOM 825 CG HIS A 56 0.160 -6.377 10.742 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.132 -6.272 11.646 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.519 -7.321 9.873 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.083 -7.148 11.337 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.702 -7.799 10.242 1.00 0.00 N ATOM 0 H HIS A 56 -3.195 -4.214 10.267 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.927 -6.515 8.997 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.807 -4.537 10.198 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.390 -5.235 11.696 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.054 -7.642 9.016 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.003 -7.304 11.880 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.226 -8.535 9.769 1.00 0.00 H new ATOM 838 N ARG A 57 -3.515 -6.952 11.864 1.00 0.00 N ATOM 839 CA ARG A 57 -4.073 -7.974 12.781 1.00 0.00 C ATOM 840 C ARG A 57 -5.342 -8.720 12.314 1.00 0.00 C ATOM 841 O ARG A 57 -5.466 -9.921 12.530 1.00 0.00 O ATOM 842 CB ARG A 57 -4.220 -7.390 14.201 1.00 0.00 C ATOM 843 CG ARG A 57 -5.299 -6.314 14.389 1.00 0.00 C ATOM 844 CD ARG A 57 -6.622 -6.929 14.852 1.00 0.00 C ATOM 845 NE ARG A 57 -7.729 -5.973 14.674 1.00 0.00 N ATOM 846 CZ ARG A 57 -9.018 -6.207 14.940 1.00 0.00 C ATOM 847 NH1 ARG A 57 -9.417 -7.272 15.624 1.00 0.00 N ATOM 848 NH2 ARG A 57 -9.931 -5.293 14.651 1.00 0.00 N ATOM 0 H ARG A 57 -3.625 -5.997 12.204 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.333 -8.775 12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.432 -8.210 14.887 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.260 -6.967 14.497 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.961 -5.580 15.121 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.452 -5.781 13.451 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.825 -7.838 14.285 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.548 -7.217 15.901 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.490 -5.049 14.315 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.731 -7.945 15.966 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.410 -7.418 15.808 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.651 -4.409 14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.914 -5.472 14.854 1.00 0.00 H new ATOM 862 N GLU A 58 -6.258 -7.993 11.676 1.00 0.00 N ATOM 863 CA GLU A 58 -7.555 -8.522 11.201 1.00 0.00 C ATOM 864 C GLU A 58 -7.553 -8.760 9.679 1.00 0.00 C ATOM 865 O GLU A 58 -8.109 -9.746 9.206 1.00 0.00 O ATOM 866 CB GLU A 58 -8.655 -7.515 11.578 1.00 0.00 C ATOM 867 CG GLU A 58 -10.076 -7.974 11.231 1.00 0.00 C ATOM 868 CD GLU A 58 -11.049 -6.793 11.244 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.039 -6.049 10.239 1.00 0.00 O ATOM 870 OE2 GLU A 58 -11.766 -6.634 12.256 1.00 0.00 O ATOM 0 H GLU A 58 -6.127 -7.003 11.467 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.738 -9.486 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.600 -7.319 12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.457 -6.571 11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.081 -8.444 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.404 -8.728 11.946 1.00 0.00 H new ATOM 877 N TYR A 59 -7.045 -7.779 8.935 1.00 0.00 N ATOM 878 CA TYR A 59 -6.974 -7.848 7.461 1.00 0.00 C ATOM 879 C TYR A 59 -5.844 -8.737 6.905 1.00 0.00 C ATOM 880 O TYR A 59 -5.943 -9.206 5.776 1.00 0.00 O ATOM 881 CB TYR A 59 -6.869 -6.452 6.836 1.00 0.00 C ATOM 882 CG TYR A 59 -8.105 -5.544 6.917 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.672 -5.167 8.131 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.515 -4.901 5.753 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.622 -4.156 8.181 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.468 -3.892 5.796 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.018 -3.515 7.014 1.00 0.00 C ATOM 888 OH TYR A 59 -10.912 -2.497 7.077 1.00 0.00 O ATOM 0 H TYR A 59 -6.671 -6.915 9.326 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.913 -8.322 7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.038 -5.932 7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.609 -6.573 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.371 -5.665 9.041 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.087 -5.190 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.054 -3.868 9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.780 -3.402 4.885 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.461 -1.652 6.869 1.00 0.00 H new ATOM 898 N GLN A 60 -4.748 -8.863 7.659 1.00 0.00 N ATOM 899 CA GLN A 60 -3.510 -9.584 7.272 1.00 0.00 C ATOM 900 C GLN A 60 -2.778 -9.137 5.990 1.00 0.00 C ATOM 901 O GLN A 60 -1.839 -9.791 5.541 1.00 0.00 O ATOM 902 CB GLN A 60 -3.752 -11.102 7.275 1.00 0.00 C ATOM 903 CG GLN A 60 -3.346 -11.740 8.608 1.00 0.00 C ATOM 904 CD GLN A 60 -1.822 -11.803 8.758 1.00 0.00 C ATOM 905 OE1 GLN A 60 -1.167 -12.771 8.402 1.00 0.00 O ATOM 906 NE2 GLN A 60 -1.232 -10.776 9.331 1.00 0.00 N ATOM 0 H GLN A 60 -4.686 -8.454 8.592 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.803 -9.294 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.806 -11.303 7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.186 -11.562 6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.771 -11.166 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.761 -12.746 8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.784 -9.970 9.626 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.223 -10.785 9.480 1.00 0.00 H new ATOM 915 N VAL A 61 -3.068 -7.912 5.551 1.00 0.00 N ATOM 916 CA VAL A 61 -2.450 -7.340 4.330 1.00 0.00 C ATOM 917 C VAL A 61 -1.534 -6.128 4.633 1.00 0.00 C ATOM 918 O VAL A 61 -0.602 -5.849 3.885 1.00 0.00 O ATOM 919 CB VAL A 61 -3.502 -6.987 3.249 1.00 0.00 C ATOM 920 CG1 VAL A 61 -2.840 -6.809 1.878 1.00 0.00 C ATOM 921 CG2 VAL A 61 -4.619 -8.026 3.089 1.00 0.00 C ATOM 0 H VAL A 61 -3.727 -7.287 6.016 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.814 -8.127 3.925 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.952 -6.059 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.600 -6.562 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.107 -6.004 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.341 -7.735 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.311 -7.700 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.185 -8.986 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.156 -8.132 4.032 1.00 0.00 H new ATOM 931 N GLU A 62 -1.847 -5.384 5.699 1.00 0.00 N ATOM 932 CA GLU A 62 -1.113 -4.181 6.168 1.00 0.00 C ATOM 933 C GLU A 62 -0.742 -3.162 5.061 1.00 0.00 C ATOM 934 O GLU A 62 0.421 -2.966 4.712 1.00 0.00 O ATOM 935 CB GLU A 62 0.103 -4.620 7.002 1.00 0.00 C ATOM 936 CG GLU A 62 0.767 -3.454 7.745 1.00 0.00 C ATOM 937 CD GLU A 62 2.074 -3.865 8.426 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.118 -3.818 7.741 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.017 -4.090 9.655 1.00 0.00 O ATOM 0 H GLU A 62 -2.649 -5.604 6.289 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.803 -3.617 6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.211 -5.373 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.836 -5.092 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.966 -2.645 7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.077 -3.064 8.494 1.00 0.00 H new ATOM 946 N LEU A 63 -1.754 -2.434 4.591 1.00 0.00 N ATOM 947 CA LEU A 63 -1.540 -1.321 3.640 1.00 0.00 C ATOM 948 C LEU A 63 -2.160 0.025 4.086 1.00 0.00 C ATOM 949 O LEU A 63 -3.241 0.409 3.623 1.00 0.00 O ATOM 950 CB LEU A 63 -1.878 -1.720 2.188 1.00 0.00 C ATOM 951 CG LEU A 63 -3.344 -2.011 1.826 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.483 -2.089 0.306 1.00 0.00 C ATOM 953 CD2 LEU A 63 -3.862 -3.319 2.426 1.00 0.00 C ATOM 0 H LEU A 63 -2.730 -2.586 4.846 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.468 -1.123 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.529 -0.920 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.295 -2.608 1.945 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.938 -1.197 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.521 -2.295 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.180 -1.140 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.847 -2.887 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.902 -3.467 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.260 -4.151 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.794 -3.273 3.513 1.00 0.00 H new ATOM 965 N PRO A 64 -1.466 0.762 4.974 1.00 0.00 N ATOM 966 CA PRO A 64 -1.918 2.085 5.453 1.00 0.00 C ATOM 967 C PRO A 64 -1.968 3.099 4.305 1.00 0.00 C ATOM 968 O PRO A 64 -1.206 3.002 3.344 1.00 0.00 O ATOM 969 CB PRO A 64 -0.910 2.493 6.528 1.00 0.00 C ATOM 970 CG PRO A 64 0.368 1.763 6.117 1.00 0.00 C ATOM 971 CD PRO A 64 -0.145 0.436 5.552 1.00 0.00 C ATOM 0 HA PRO A 64 -2.931 2.049 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.765 3.573 6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.241 2.193 7.522 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.930 2.326 5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.032 1.607 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.532 0.039 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.229 -0.321 6.332 1.00 0.00 H new ATOM 979 N LEU A 65 -2.913 4.030 4.432 1.00 0.00 N ATOM 980 CA LEU A 65 -3.302 5.040 3.419 1.00 0.00 C ATOM 981 C LEU A 65 -3.906 4.439 2.137 1.00 0.00 C ATOM 982 O LEU A 65 -5.077 4.682 1.858 1.00 0.00 O ATOM 983 CB LEU A 65 -2.145 5.994 3.079 1.00 0.00 C ATOM 984 CG LEU A 65 -2.593 7.460 3.057 1.00 0.00 C ATOM 985 CD1 LEU A 65 -2.776 8.002 4.480 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.592 8.308 2.273 1.00 0.00 C ATOM 0 H LEU A 65 -3.464 4.114 5.286 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.097 5.616 3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.347 5.870 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.730 5.728 2.107 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.559 7.516 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.094 9.044 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.533 7.414 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.831 7.934 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.922 9.347 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.612 8.243 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.527 7.940 1.249 1.00 0.00 H new ATOM 998 N LYS A 66 -3.218 3.463 1.547 1.00 0.00 N ATOM 999 CA LYS A 66 -3.645 2.740 0.329 1.00 0.00 C ATOM 1000 C LYS A 66 -5.078 2.189 0.428 1.00 0.00 C ATOM 1001 O LYS A 66 -5.976 2.801 -0.147 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.649 1.621 0.009 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.304 2.177 -0.465 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.288 1.053 -0.663 1.00 0.00 C ATOM 1005 CE LYS A 66 1.017 1.612 -1.234 1.00 0.00 C ATOM 1006 NZ LYS A 66 2.036 0.561 -1.352 1.00 0.00 N ATOM 0 H LYS A 66 -2.321 3.137 1.906 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.654 3.462 -0.488 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.496 1.006 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.066 0.972 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.440 2.719 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.924 2.892 0.265 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.094 0.557 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.695 0.300 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.830 2.053 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.387 2.410 -0.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.910 0.967 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.230 0.158 -0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.690 -0.188 -1.985 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.303 1.316 1.414 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.629 0.706 1.668 1.00 0.00 C ATOM 1022 C VAL A 67 -7.744 1.700 2.083 1.00 0.00 C ATOM 1023 O VAL A 67 -8.928 1.418 1.923 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.450 -0.516 2.593 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.467 -0.218 4.094 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.397 -1.656 2.216 1.00 0.00 C ATOM 0 H VAL A 67 -4.579 1.007 2.062 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.027 0.350 0.718 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.428 -0.846 2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.333 -1.146 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.658 0.471 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.422 0.233 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.240 -2.498 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.429 -1.314 2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.198 -1.970 1.191 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.335 2.917 2.437 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.214 3.998 2.931 1.00 0.00 C ATOM 1038 C LEU A 68 -8.554 5.101 1.914 1.00 0.00 C ATOM 1039 O LEU A 68 -9.430 5.919 2.186 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.585 4.698 4.145 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.443 3.905 5.451 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.710 3.112 5.798 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.142 3.100 5.473 1.00 0.00 C ATOM 0 H LEU A 68 -6.355 3.196 2.390 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.140 3.476 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.592 5.039 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.177 5.588 4.359 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.351 4.614 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.556 2.569 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.549 3.798 5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.927 2.404 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.071 2.549 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.134 2.399 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.293 3.778 5.385 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.670 5.272 0.936 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.811 6.279 -0.134 1.00 0.00 C ATOM 1057 C PHE A 69 -8.077 5.678 -1.526 1.00 0.00 C ATOM 1058 O PHE A 69 -8.879 6.225 -2.278 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.562 7.169 -0.152 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.545 8.187 0.997 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.162 7.818 2.283 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.896 9.506 0.741 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -6.123 8.762 3.302 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.851 10.453 1.758 1.00 0.00 C ATOM 1065 CZ PHE A 69 -6.461 10.083 3.039 1.00 0.00 C ATOM 0 H PHE A 69 -6.821 4.712 0.855 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.697 6.871 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.673 6.542 -0.090 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.512 7.699 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.894 6.793 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.205 9.797 -0.252 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.830 8.468 4.299 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.120 11.478 1.552 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.421 10.820 3.827 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.437 4.550 -1.835 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.678 3.799 -3.086 1.00 0.00 C ATOM 1077 C ALA A 70 -8.986 2.989 -3.032 1.00 0.00 C ATOM 1078 O ALA A 70 -9.705 2.894 -4.026 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.484 2.889 -3.392 1.00 0.00 C ATOM 0 H ALA A 70 -6.735 4.124 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.788 4.524 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.672 2.341 -4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.585 3.495 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.345 2.184 -2.573 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.231 2.343 -1.891 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.537 1.721 -1.590 1.00 0.00 C ATOM 1087 C GLN A 71 -11.214 2.277 -0.307 1.00 0.00 C ATOM 1088 O GLN A 71 -11.525 1.513 0.612 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.429 0.182 -1.641 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.408 -0.485 -0.710 1.00 0.00 C ATOM 1091 CD GLN A 71 -7.986 -0.503 -1.279 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.245 0.468 -1.259 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -7.564 -1.644 -1.772 1.00 0.00 N ATOM 0 H GLN A 71 -8.540 2.232 -1.149 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.231 2.013 -2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.412 -0.232 -1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.189 -0.105 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.402 0.039 0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.724 -1.509 -0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.184 -2.453 -1.788 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.616 -1.721 -2.139 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.641 3.556 -0.334 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.152 4.303 0.841 1.00 0.00 C ATOM 1104 C PRO A 72 -13.614 3.990 1.232 1.00 0.00 C ATOM 1105 O PRO A 72 -14.430 4.877 1.483 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.956 5.765 0.430 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.264 5.754 -1.065 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.680 4.423 -1.533 1.00 0.00 C ATOM 0 HA PRO A 72 -11.619 4.023 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.627 6.429 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.940 6.106 0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.336 5.813 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.803 6.598 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.295 3.980 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.682 4.559 -1.950 1.00 0.00 H new ATOM 1116 N THR A 73 -13.900 2.699 1.352 1.00 0.00 N ATOM 1117 CA THR A 73 -15.254 2.154 1.607 1.00 0.00 C ATOM 1118 C THR A 73 -15.168 0.720 2.138 1.00 0.00 C ATOM 1119 O THR A 73 -14.486 -0.127 1.555 1.00 0.00 O ATOM 1120 CB THR A 73 -16.164 2.227 0.357 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.390 1.518 0.576 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.510 1.742 -0.945 1.00 0.00 C ATOM 0 H THR A 73 -13.188 1.973 1.275 1.00 0.00 H new ATOM 0 HA THR A 73 -15.714 2.782 2.370 1.00 0.00 H new ATOM 0 HB THR A 73 -16.360 3.290 0.218 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.679 1.643 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.223 1.830 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.632 2.351 -1.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.210 0.700 -0.835 1.00 0.00 H new ATOM 1130 N ILE A 74 -15.999 0.441 3.141 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.044 -0.893 3.778 1.00 0.00 C ATOM 1132 C ILE A 74 -16.501 -2.006 2.810 1.00 0.00 C ATOM 1133 O ILE A 74 -16.040 -3.138 2.928 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.758 -0.831 5.148 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.061 -1.696 6.215 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.268 -1.081 5.104 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -16.000 -3.215 5.994 1.00 0.00 C ATOM 0 H ILE A 74 -16.654 1.115 3.537 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.027 -1.203 4.018 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.660 0.212 5.451 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.038 -1.334 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.562 -1.518 7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.677 -1.017 6.112 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.743 -0.331 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.461 -2.074 4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.480 -3.684 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.012 -3.614 5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.465 -3.427 5.068 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.208 -1.614 1.749 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.595 -2.509 0.638 1.00 0.00 C ATOM 1151 C LYS A 75 -16.337 -3.143 0.009 1.00 0.00 C ATOM 1152 O LYS A 75 -16.028 -4.308 0.259 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.391 -1.667 -0.368 1.00 0.00 C ATOM 1154 CG LYS A 75 -19.104 -2.464 -1.466 1.00 0.00 C ATOM 1155 CD LYS A 75 -20.201 -3.370 -0.895 1.00 0.00 C ATOM 1156 CE LYS A 75 -21.252 -3.711 -1.953 1.00 0.00 C ATOM 1157 NZ LYS A 75 -22.063 -2.529 -2.289 1.00 0.00 N ATOM 0 H LYS A 75 -17.536 -0.656 1.628 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.216 -3.335 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.134 -1.085 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.713 -0.956 -0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.542 -1.775 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.376 -3.071 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.754 -4.289 -0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.680 -2.875 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.761 -4.087 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.898 -4.508 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -22.963 -2.834 -2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.255 -1.982 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.545 -1.934 -2.967 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.480 -2.270 -0.520 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.172 -2.648 -1.083 1.00 0.00 C ATOM 1173 C ALA A 76 -13.190 -3.215 -0.040 1.00 0.00 C ATOM 1174 O ALA A 76 -12.468 -4.158 -0.351 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.572 -1.448 -1.813 1.00 0.00 C ATOM 0 H ALA A 76 -15.671 -1.269 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.344 -3.463 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.604 -1.723 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.240 -1.140 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.443 -0.623 -1.112 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.233 -2.714 1.198 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.467 -3.299 2.325 1.00 0.00 C ATOM 1183 C LEU A 77 -12.820 -4.783 2.554 1.00 0.00 C ATOM 1184 O LEU A 77 -11.943 -5.645 2.512 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.684 -2.509 3.628 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.245 -1.038 3.580 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.623 -0.336 4.886 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.739 -0.896 3.370 1.00 0.00 C ATOM 0 H LEU A 77 -13.791 -1.900 1.456 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.415 -3.235 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.742 -2.548 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.142 -3.008 4.431 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.758 -0.579 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.308 0.707 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.703 -0.383 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.128 -0.831 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.474 0.161 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.210 -1.382 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.457 -1.366 2.428 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.122 -5.073 2.583 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.659 -6.447 2.639 1.00 0.00 C ATOM 1202 C ALA A 78 -14.267 -7.267 1.399 1.00 0.00 C ATOM 1203 O ALA A 78 -13.757 -8.371 1.559 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.182 -6.425 2.804 1.00 0.00 C ATOM 0 H ALA A 78 -14.848 -4.356 2.568 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.216 -6.933 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.559 -7.447 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.440 -5.907 3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.632 -5.905 1.959 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.353 -6.669 0.210 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.851 -7.287 -1.038 1.00 0.00 C ATOM 1212 C GLN A 79 -12.353 -7.645 -1.016 1.00 0.00 C ATOM 1213 O GLN A 79 -11.982 -8.737 -1.442 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.174 -6.410 -2.253 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.535 -6.746 -2.877 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.729 -6.481 -1.956 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -17.335 -5.420 -1.951 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -17.109 -7.471 -1.176 1.00 0.00 N ATOM 0 H GLN A 79 -14.769 -5.747 0.075 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.381 -8.236 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.165 -5.362 -1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.394 -6.534 -3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.658 -6.163 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.540 -7.797 -3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.598 -8.353 -1.186 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.915 -7.356 -0.561 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.544 -6.763 -0.437 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.104 -6.989 -0.210 1.00 0.00 C ATOM 1229 C TYR A 80 -9.744 -8.088 0.804 1.00 0.00 C ATOM 1230 O TYR A 80 -8.673 -8.677 0.694 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.419 -5.666 0.148 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.803 -5.027 -1.100 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.597 -4.392 -2.049 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.452 -5.222 -1.355 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.047 -3.958 -3.247 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.897 -4.784 -2.550 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.690 -4.144 -3.493 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.095 -3.499 -4.526 1.00 0.00 O ATOM 0 H TYR A 80 -11.867 -5.855 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.726 -7.376 -1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.143 -4.984 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.644 -5.841 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.647 -4.236 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.831 -5.716 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.670 -3.477 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.847 -4.941 -2.746 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.145 -3.738 -4.557 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.601 -8.315 1.799 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.351 -9.368 2.814 1.00 0.00 C ATOM 1250 C VAL A 81 -11.305 -10.574 2.845 1.00 0.00 C ATOM 1251 O VAL A 81 -10.911 -11.652 2.404 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.078 -8.817 4.226 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.713 -8.132 4.224 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.153 -7.861 4.760 1.00 0.00 C ATOM 0 H VAL A 81 -11.469 -7.796 1.934 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.425 -9.797 2.431 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.097 -9.669 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.503 -7.736 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.944 -8.855 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.716 -7.316 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.876 -7.524 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.236 -7.000 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.111 -8.379 4.804 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.587 -10.300 3.082 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.668 -11.292 3.285 1.00 0.00 C ATOM 1266 C ALA A 82 -14.202 -11.938 1.983 1.00 0.00 C ATOM 1267 O ALA A 82 -15.384 -12.248 1.831 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.782 -10.601 4.082 1.00 0.00 C ATOM 0 H ALA A 82 -12.927 -9.340 3.143 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.258 -12.138 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.598 -11.304 4.251 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.388 -10.265 5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.152 -9.743 3.521 1.00 0.00 H new ATOM 1274 N THR A 83 -13.256 -12.157 1.079 1.00 0.00 N ATOM 1275 CA THR A 83 -13.432 -12.816 -0.233 1.00 0.00 C ATOM 1276 C THR A 83 -12.462 -14.009 -0.327 1.00 0.00 C ATOM 1277 O THR A 83 -12.872 -15.097 -0.720 1.00 0.00 O ATOM 1278 CB THR A 83 -13.156 -11.843 -1.394 1.00 0.00 C ATOM 1279 OG1 THR A 83 -13.813 -10.594 -1.167 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.625 -12.407 -2.740 1.00 0.00 C ATOM 0 H THR A 83 -12.290 -11.869 1.238 1.00 0.00 H new ATOM 0 HA THR A 83 -14.465 -13.154 -0.313 1.00 0.00 H new ATOM 0 HB THR A 83 -12.076 -11.699 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.306 -9.875 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.411 -11.688 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.100 -13.340 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.698 -12.595 -2.702 1.00 0.00 H new ATOM 1288 N ARG A 84 -11.186 -13.768 -0.006 1.00 0.00 N ATOM 1289 CA ARG A 84 -10.160 -14.833 -0.004 1.00 0.00 C ATOM 1290 C ARG A 84 -9.549 -15.195 1.365 1.00 0.00 C ATOM 1291 O ARG A 84 -9.292 -16.370 1.621 1.00 0.00 O ATOM 1292 CB ARG A 84 -9.066 -14.537 -1.048 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.931 -13.562 -0.688 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.321 -12.091 -0.490 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.282 -11.660 0.925 1.00 0.00 N ATOM 1296 CZ ARG A 84 -7.251 -11.698 1.778 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -6.016 -12.011 1.412 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -7.417 -11.280 3.024 1.00 0.00 N ATOM 0 H ARG A 84 -10.833 -12.848 0.256 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.708 -15.733 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.608 -15.487 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.559 -14.152 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.458 -13.915 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.178 -13.611 -1.475 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.648 -11.462 -1.073 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.325 -11.933 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.154 -11.285 1.299 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.815 -12.238 0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.267 -12.025 2.104 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.326 -10.932 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.636 -11.306 3.679 1.00 0.00 H new ATOM 1312 N SER A 85 -9.431 -14.206 2.256 1.00 0.00 N ATOM 1313 CA SER A 85 -8.720 -14.290 3.558 1.00 0.00 C ATOM 1314 C SER A 85 -7.213 -14.602 3.497 1.00 0.00 C ATOM 1315 O SER A 85 -6.519 -14.190 4.454 1.00 0.00 O ATOM 1316 CB SER A 85 -9.386 -15.258 4.541 1.00 0.00 C ATOM 1317 OG SER A 85 -10.676 -14.759 4.907 1.00 0.00 O ATOM 1318 OXT SER A 85 -6.777 -15.266 2.531 1.00 99.99 O ATOM 0 H SER A 85 -9.840 -13.286 2.095 1.00 0.00 H new ATOM 0 HA SER A 85 -8.806 -13.265 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.482 -16.244 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.765 -15.375 5.429 1.00 0.00 H new ATOM 0 HG SER A 85 -11.101 -15.380 5.534 1.00 0.00 H new