USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 THR OG1 : rot -131:sc= -1.5 USER MOD Set 1.2: A 74 MET CE :methyl -171:sc= -6.31! (180deg=-5.7) USER MOD Set 2.1: A 12 GLN : amide:sc=-0.00172 K(o=-0.022,f=0.67) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= -0.02 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= -1.66 (180deg=-3.83!) USER MOD Single : A 30 GLN : amide:sc= -0.489 K(o=-0.49,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.772 (180deg=-3.58!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.63! C(o=-2.6!,f=-8.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= -0.548 (180deg=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.23) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.113 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -170:sc= 0 (180deg=-0.154) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.400 -1.737 -3.041 1.00 0.00 N ATOM 19 CA ALA A 2 2.728 -3.056 -3.566 1.00 0.00 C ATOM 20 C ALA A 2 4.183 -3.122 -4.016 1.00 0.00 C ATOM 21 O ALA A 2 4.700 -2.183 -4.623 1.00 0.00 O ATOM 22 CB ALA A 2 1.801 -3.409 -4.720 1.00 0.00 C ATOM 0 HA ALA A 2 2.589 -3.783 -2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.057 -4.397 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.769 -3.412 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.912 -2.672 -5.515 1.00 0.00 H new ATOM 28 N LEU A 3 4.841 -4.237 -3.713 1.00 0.00 N ATOM 29 CA LEU A 3 6.238 -4.425 -4.086 1.00 0.00 C ATOM 30 C LEU A 3 6.376 -5.502 -5.157 1.00 0.00 C ATOM 31 O LEU A 3 5.978 -6.652 -4.970 1.00 0.00 O ATOM 32 CB LEU A 3 7.068 -4.803 -2.857 1.00 0.00 C ATOM 33 CG LEU A 3 7.565 -3.639 -1.999 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.700 -2.907 -2.699 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.424 -2.681 -1.686 1.00 0.00 C ATOM 0 H LEU A 3 4.429 -5.023 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 3 6.609 -3.484 -4.493 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.470 -5.462 -2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.932 -5.378 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 3 7.943 -4.041 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.041 -2.082 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.526 -3.597 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.347 -2.517 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.796 -1.859 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.016 -2.285 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.642 -3.212 -1.143 1.00 0.00 H new ATOM 47 N PRO A 4 6.955 -5.124 -6.306 1.00 0.00 N ATOM 48 CA PRO A 4 7.162 -6.044 -7.429 1.00 0.00 C ATOM 49 C PRO A 4 8.222 -7.098 -7.127 1.00 0.00 C ATOM 50 O PRO A 4 9.089 -6.894 -6.277 1.00 0.00 O ATOM 51 CB PRO A 4 7.629 -5.124 -8.559 1.00 0.00 C ATOM 52 CG PRO A 4 8.237 -3.952 -7.868 1.00 0.00 C ATOM 53 CD PRO A 4 7.454 -3.769 -6.597 1.00 0.00 C ATOM 0 HA PRO A 4 6.260 -6.608 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.353 -5.624 -9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.795 -4.821 -9.193 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.291 -4.128 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.183 -3.060 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.081 -3.390 -5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.637 -3.059 -6.727 1.00 0.00 H new ATOM 61 N ILE A 5 8.147 -8.223 -7.830 1.00 0.00 N ATOM 62 CA ILE A 5 9.102 -9.307 -7.638 1.00 0.00 C ATOM 63 C ILE A 5 9.333 -10.073 -8.936 1.00 0.00 C ATOM 64 O ILE A 5 8.383 -10.487 -9.601 1.00 0.00 O ATOM 65 CB ILE A 5 8.626 -10.291 -6.553 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.041 -9.795 -5.166 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.187 -11.681 -6.814 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.895 -10.783 -4.402 1.00 0.00 C ATOM 0 H ILE A 5 7.435 -8.407 -8.537 1.00 0.00 H new ATOM 0 HA ILE A 5 10.038 -8.849 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 5 7.538 -10.348 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.590 -8.859 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.146 -9.575 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.841 -12.364 -6.038 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.846 -12.034 -7.787 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.276 -11.642 -6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.152 -10.365 -3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.341 -11.712 -4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.808 -10.985 -4.963 1.00 0.00 H new ATOM 80 N ILE A 6 10.600 -10.259 -9.290 1.00 0.00 N ATOM 81 CA ILE A 6 10.955 -10.978 -10.507 1.00 0.00 C ATOM 82 C ILE A 6 11.267 -12.440 -10.210 1.00 0.00 C ATOM 83 O ILE A 6 11.985 -12.753 -9.260 1.00 0.00 O ATOM 84 CB ILE A 6 12.169 -10.337 -11.205 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.774 -9.001 -11.839 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.735 -11.281 -12.256 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.860 -7.951 -11.762 1.00 0.00 C ATOM 0 H ILE A 6 11.398 -9.922 -8.751 1.00 0.00 H new ATOM 0 HA ILE A 6 10.092 -10.921 -11.171 1.00 0.00 H new ATOM 0 HB ILE A 6 12.941 -10.150 -10.459 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.514 -9.167 -12.884 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.879 -8.624 -11.344 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.592 -10.814 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.049 -12.210 -11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.970 -11.496 -13.002 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.510 -7.031 -12.231 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.104 -7.756 -10.718 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.749 -8.308 -12.282 1.00 0.00 H new ATOM 99 N VAL A 7 10.724 -13.334 -11.031 1.00 0.00 N ATOM 100 CA VAL A 7 10.947 -14.765 -10.859 1.00 0.00 C ATOM 101 C VAL A 7 11.614 -15.369 -12.090 1.00 0.00 C ATOM 102 O VAL A 7 11.320 -14.984 -13.221 1.00 0.00 O ATOM 103 CB VAL A 7 9.626 -15.509 -10.587 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.926 -15.850 -11.893 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.883 -16.764 -9.766 1.00 0.00 C ATOM 0 H VAL A 7 10.127 -13.092 -11.822 1.00 0.00 H new ATOM 0 HA VAL A 7 11.606 -14.882 -9.999 1.00 0.00 H new ATOM 0 HB VAL A 7 8.971 -14.854 -10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.995 -16.375 -11.680 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.708 -14.932 -12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.572 -16.487 -12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.940 -17.278 -9.582 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.556 -17.425 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.338 -16.489 -8.814 1.00 0.00 H new ATOM 115 N LYS A 8 12.514 -16.319 -11.861 1.00 0.00 N ATOM 116 CA LYS A 8 13.223 -16.980 -12.950 1.00 0.00 C ATOM 117 C LYS A 8 12.914 -18.474 -12.973 1.00 0.00 C ATOM 118 O LYS A 8 13.029 -19.156 -11.956 1.00 0.00 O ATOM 119 CB LYS A 8 14.731 -16.763 -12.811 1.00 0.00 C ATOM 120 CG LYS A 8 15.453 -16.636 -14.141 1.00 0.00 C ATOM 121 CD LYS A 8 16.787 -15.924 -13.986 1.00 0.00 C ATOM 122 CE LYS A 8 16.634 -14.417 -14.121 1.00 0.00 C ATOM 123 NZ LYS A 8 17.901 -13.767 -14.558 1.00 0.00 N ATOM 0 H LYS A 8 12.770 -16.649 -10.930 1.00 0.00 H new ATOM 0 HA LYS A 8 12.884 -16.542 -13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.907 -15.862 -12.224 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.159 -17.595 -12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.616 -17.627 -14.564 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.827 -16.088 -14.845 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.216 -16.161 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.485 -16.289 -14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.845 -14.195 -14.840 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.321 -13.997 -13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.755 -12.740 -14.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.648 -13.957 -13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.186 -14.149 -15.482 1.00 0.00 H new ATOM 137 N TRP A 9 12.524 -18.974 -14.140 1.00 0.00 N ATOM 138 CA TRP A 9 12.200 -20.388 -14.295 1.00 0.00 C ATOM 139 C TRP A 9 12.573 -20.882 -15.689 1.00 0.00 C ATOM 140 O TRP A 9 11.997 -20.448 -16.686 1.00 0.00 O ATOM 141 CB TRP A 9 10.711 -20.622 -14.039 1.00 0.00 C ATOM 142 CG TRP A 9 10.235 -21.970 -14.489 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.268 -22.230 -15.418 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.705 -23.242 -14.030 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.107 -23.587 -15.563 1.00 0.00 N ATOM 146 CE2 TRP A 9 9.978 -24.230 -14.723 1.00 0.00 C ATOM 147 CE3 TRP A 9 11.669 -23.643 -13.102 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.186 -25.591 -14.515 1.00 0.00 C ATOM 149 CZ3 TRP A 9 11.875 -24.994 -12.896 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.137 -25.955 -13.601 1.00 0.00 C ATOM 0 H TRP A 9 12.424 -18.422 -14.992 1.00 0.00 H new ATOM 0 HA TRP A 9 12.780 -20.951 -13.563 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.511 -20.511 -12.973 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.136 -19.852 -14.553 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.712 -21.479 -15.959 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.447 -24.042 -16.193 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.243 -22.910 -12.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.617 -26.333 -15.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 12.617 -25.315 -12.180 1.00 0.00 H new ATOM 0 HH2 TRP A 9 11.323 -27.003 -13.419 1.00 0.00 H new ATOM 161 N GLY A 10 13.540 -21.793 -15.750 1.00 0.00 N ATOM 162 CA GLY A 10 13.972 -22.331 -17.027 1.00 0.00 C ATOM 163 C GLY A 10 14.370 -21.246 -18.008 1.00 0.00 C ATOM 164 O GLY A 10 14.066 -21.333 -19.197 1.00 0.00 O ATOM 0 H GLY A 10 14.031 -22.168 -14.939 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.817 -23.001 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.168 -22.928 -17.457 1.00 0.00 H new ATOM 168 N GLY A 11 15.051 -20.219 -17.509 1.00 0.00 N ATOM 169 CA GLY A 11 15.479 -19.127 -18.363 1.00 0.00 C ATOM 170 C GLY A 11 14.373 -18.121 -18.615 1.00 0.00 C ATOM 171 O GLY A 11 14.577 -17.126 -19.310 1.00 0.00 O ATOM 0 H GLY A 11 15.314 -20.124 -16.528 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.328 -18.621 -17.903 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.825 -19.529 -19.315 1.00 0.00 H new ATOM 175 N GLN A 12 13.198 -18.382 -18.052 1.00 0.00 N ATOM 176 CA GLN A 12 12.055 -17.493 -18.222 1.00 0.00 C ATOM 177 C GLN A 12 12.067 -16.384 -17.175 1.00 0.00 C ATOM 178 O GLN A 12 12.705 -16.512 -16.130 1.00 0.00 O ATOM 179 CB GLN A 12 10.749 -18.283 -18.129 1.00 0.00 C ATOM 180 CG GLN A 12 10.688 -19.471 -19.076 1.00 0.00 C ATOM 181 CD GLN A 12 10.605 -19.054 -20.531 1.00 0.00 C ATOM 182 OE1 GLN A 12 9.599 -18.500 -20.974 1.00 0.00 O ATOM 183 NE2 GLN A 12 11.666 -19.319 -21.284 1.00 0.00 N ATOM 0 H GLN A 12 13.012 -19.202 -17.474 1.00 0.00 H new ATOM 0 HA GLN A 12 12.126 -17.037 -19.209 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.620 -18.637 -17.106 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.914 -17.615 -18.343 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.571 -20.093 -18.930 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.822 -20.084 -18.828 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.479 -19.780 -20.875 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.668 -19.062 -22.271 1.00 0.00 H new ATOM 192 N GLU A 13 11.359 -15.297 -17.463 1.00 0.00 N ATOM 193 CA GLU A 13 11.291 -14.165 -16.545 1.00 0.00 C ATOM 194 C GLU A 13 9.850 -13.695 -16.368 1.00 0.00 C ATOM 195 O GLU A 13 9.153 -13.414 -17.343 1.00 0.00 O ATOM 196 CB GLU A 13 12.156 -13.012 -17.058 1.00 0.00 C ATOM 197 CG GLU A 13 13.401 -12.767 -16.222 1.00 0.00 C ATOM 198 CD GLU A 13 14.545 -12.191 -17.034 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.663 -12.546 -18.226 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.321 -11.386 -16.479 1.00 0.00 O ATOM 0 H GLU A 13 10.825 -15.176 -18.323 1.00 0.00 H new ATOM 0 HA GLU A 13 11.670 -14.491 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.454 -13.221 -18.085 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.558 -12.101 -17.079 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.159 -12.084 -15.408 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.719 -13.705 -15.767 1.00 0.00 H new ATOM 207 N TYR A 14 9.410 -13.614 -15.117 1.00 0.00 N ATOM 208 CA TYR A 14 8.052 -13.181 -14.811 1.00 0.00 C ATOM 209 C TYR A 14 8.030 -12.293 -13.570 1.00 0.00 C ATOM 210 O TYR A 14 8.358 -12.737 -12.470 1.00 0.00 O ATOM 211 CB TYR A 14 7.143 -14.393 -14.601 1.00 0.00 C ATOM 212 CG TYR A 14 7.249 -15.426 -15.700 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.623 -15.233 -16.925 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.976 -16.595 -15.513 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.716 -16.175 -17.931 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.076 -17.542 -16.514 1.00 0.00 C ATOM 217 CZ TYR A 14 7.444 -17.328 -17.721 1.00 0.00 C ATOM 218 OH TYR A 14 7.540 -18.268 -18.722 1.00 0.00 O ATOM 0 H TYR A 14 9.974 -13.843 -14.299 1.00 0.00 H new ATOM 0 HA TYR A 14 7.683 -12.601 -15.657 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.390 -14.861 -13.648 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.109 -14.054 -14.531 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.054 -14.331 -17.094 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.472 -16.766 -14.569 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.222 -16.010 -18.877 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.646 -18.445 -16.352 1.00 0.00 H new ATOM 0 HH TYR A 14 7.486 -17.824 -19.594 1.00 0.00 H new ATOM 228 N SER A 15 7.639 -11.037 -13.756 1.00 0.00 N ATOM 229 CA SER A 15 7.576 -10.085 -12.653 1.00 0.00 C ATOM 230 C SER A 15 6.184 -10.068 -12.029 1.00 0.00 C ATOM 231 O SER A 15 5.199 -10.434 -12.670 1.00 0.00 O ATOM 232 CB SER A 15 7.945 -8.682 -13.141 1.00 0.00 C ATOM 233 OG SER A 15 8.311 -7.845 -12.057 1.00 0.00 O ATOM 0 H SER A 15 7.361 -10.655 -14.660 1.00 0.00 H new ATOM 0 HA SER A 15 8.292 -10.399 -11.894 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.770 -8.746 -13.850 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.100 -8.245 -13.673 1.00 0.00 H new ATOM 0 HG SER A 15 8.544 -6.955 -12.395 1.00 0.00 H new ATOM 239 N VAL A 16 6.111 -9.641 -10.772 1.00 0.00 N ATOM 240 CA VAL A 16 4.841 -9.575 -10.059 1.00 0.00 C ATOM 241 C VAL A 16 4.435 -8.129 -9.794 1.00 0.00 C ATOM 242 O VAL A 16 5.284 -7.251 -9.640 1.00 0.00 O ATOM 243 CB VAL A 16 4.909 -10.331 -8.720 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.829 -9.359 -7.552 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.800 -11.369 -8.637 1.00 0.00 C ATOM 0 H VAL A 16 6.917 -9.336 -10.227 1.00 0.00 H new ATOM 0 HA VAL A 16 4.095 -10.048 -10.697 1.00 0.00 H new ATOM 0 HB VAL A 16 5.866 -10.850 -8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.879 -9.912 -6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.662 -8.658 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.889 -8.809 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.863 -11.894 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.832 -10.874 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.909 -12.084 -9.453 1.00 0.00 H new ATOM 255 N THR A 17 3.128 -7.888 -9.742 1.00 0.00 N ATOM 256 CA THR A 17 2.608 -6.549 -9.496 1.00 0.00 C ATOM 257 C THR A 17 1.202 -6.605 -8.909 1.00 0.00 C ATOM 258 O THR A 17 0.277 -5.976 -9.423 1.00 0.00 O ATOM 259 CB THR A 17 2.579 -5.711 -10.788 1.00 0.00 C ATOM 260 OG1 THR A 17 2.139 -6.519 -11.886 1.00 0.00 O ATOM 261 CG2 THR A 17 3.955 -5.139 -11.092 1.00 0.00 C ATOM 0 H THR A 17 2.411 -8.603 -9.867 1.00 0.00 H new ATOM 0 HA THR A 17 3.280 -6.076 -8.780 1.00 0.00 H new ATOM 0 HB THR A 17 1.883 -4.885 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.122 -5.979 -12.703 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.910 -4.551 -12.009 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.274 -4.502 -10.267 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.668 -5.954 -11.218 1.00 0.00 H new ATOM 269 N THR A 18 1.047 -7.362 -7.827 1.00 0.00 N ATOM 270 CA THR A 18 -0.246 -7.501 -7.169 1.00 0.00 C ATOM 271 C THR A 18 -0.107 -7.398 -5.655 1.00 0.00 C ATOM 272 O THR A 18 -0.967 -6.831 -4.979 1.00 0.00 O ATOM 273 CB THR A 18 -0.915 -8.843 -7.522 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.920 -9.159 -6.552 1.00 0.00 O ATOM 275 CG2 THR A 18 0.114 -9.962 -7.578 1.00 0.00 C ATOM 0 H THR A 18 1.802 -7.889 -7.388 1.00 0.00 H new ATOM 0 HA THR A 18 -0.873 -6.685 -7.529 1.00 0.00 H new ATOM 0 HB THR A 18 -1.377 -8.747 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.342 -10.013 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.382 -10.900 -7.829 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.861 -9.732 -8.338 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.601 -10.057 -6.608 1.00 0.00 H new ATOM 283 N LEU A 19 0.980 -7.948 -5.127 1.00 0.00 N ATOM 284 CA LEU A 19 1.233 -7.918 -3.690 1.00 0.00 C ATOM 285 C LEU A 19 2.623 -7.364 -3.393 1.00 0.00 C ATOM 286 O LEU A 19 3.292 -6.832 -4.279 1.00 0.00 O ATOM 287 CB LEU A 19 1.093 -9.321 -3.098 1.00 0.00 C ATOM 288 CG LEU A 19 2.174 -10.328 -3.495 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.461 -11.283 -2.347 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.756 -11.097 -4.739 1.00 0.00 C ATOM 0 H LEU A 19 1.701 -8.421 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 19 0.495 -7.261 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.085 -9.236 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.124 -9.723 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 19 3.088 -9.780 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.232 -11.992 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.805 -10.718 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.551 -11.825 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.537 -11.809 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.829 -11.634 -4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.602 -10.400 -5.563 1.00 0.00 H new ATOM 302 N SER A 20 3.051 -7.495 -2.142 1.00 0.00 N ATOM 303 CA SER A 20 4.361 -7.007 -1.728 1.00 0.00 C ATOM 304 C SER A 20 5.191 -8.130 -1.113 1.00 0.00 C ATOM 305 O SER A 20 4.647 -9.112 -0.609 1.00 0.00 O ATOM 306 CB SER A 20 4.208 -5.862 -0.724 1.00 0.00 C ATOM 307 OG SER A 20 2.849 -5.674 -0.369 1.00 0.00 O ATOM 0 H SER A 20 2.510 -7.935 -1.398 1.00 0.00 H new ATOM 0 HA SER A 20 4.880 -6.639 -2.613 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.794 -6.077 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.606 -4.942 -1.153 1.00 0.00 H new ATOM 0 HG SER A 20 2.778 -4.938 0.275 1.00 0.00 H new ATOM 313 N GLU A 21 6.510 -7.977 -1.160 1.00 0.00 N ATOM 314 CA GLU A 21 7.415 -8.979 -0.609 1.00 0.00 C ATOM 315 C GLU A 21 7.149 -9.192 0.878 1.00 0.00 C ATOM 316 O GLU A 21 7.491 -10.235 1.437 1.00 0.00 O ATOM 317 CB GLU A 21 8.870 -8.557 -0.823 1.00 0.00 C ATOM 318 CG GLU A 21 9.280 -7.347 0.000 1.00 0.00 C ATOM 319 CD GLU A 21 10.782 -7.250 0.188 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.513 -8.000 -0.493 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.225 -6.427 1.015 1.00 0.00 O ATOM 0 H GLU A 21 6.976 -7.169 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 21 7.237 -9.919 -1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.523 -9.394 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.024 -8.337 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.920 -6.441 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.798 -7.396 0.976 1.00 0.00 H new ATOM 328 N ASP A 22 6.538 -8.198 1.513 1.00 0.00 N ATOM 329 CA ASP A 22 6.226 -8.276 2.935 1.00 0.00 C ATOM 330 C ASP A 22 4.880 -8.959 3.159 1.00 0.00 C ATOM 331 O ASP A 22 4.378 -9.010 4.282 1.00 0.00 O ATOM 332 CB ASP A 22 6.211 -6.877 3.553 1.00 0.00 C ATOM 333 CG ASP A 22 4.926 -6.128 3.259 1.00 0.00 C ATOM 334 OD1 ASP A 22 3.918 -6.383 3.950 1.00 0.00 O ATOM 335 OD2 ASP A 22 4.929 -5.286 2.337 1.00 0.00 O ATOM 0 H ASP A 22 6.249 -7.328 1.065 1.00 0.00 H new ATOM 0 HA ASP A 22 7.000 -8.871 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.342 -6.958 4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.057 -6.305 3.171 1.00 0.00 H new ATOM 340 N ASP A 23 4.302 -9.481 2.083 1.00 0.00 N ATOM 341 CA ASP A 23 3.014 -10.161 2.162 1.00 0.00 C ATOM 342 C ASP A 23 3.190 -11.609 2.611 1.00 0.00 C ATOM 343 O ASP A 23 2.895 -11.956 3.755 1.00 0.00 O ATOM 344 CB ASP A 23 2.306 -10.117 0.807 1.00 0.00 C ATOM 345 CG ASP A 23 0.817 -10.378 0.922 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.425 -11.217 1.760 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.044 -9.743 0.176 1.00 0.00 O ATOM 0 H ASP A 23 4.704 -9.447 1.146 1.00 0.00 H new ATOM 0 HA ASP A 23 2.402 -9.642 2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.466 -9.141 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.751 -10.858 0.144 1.00 0.00 H new ATOM 352 N THR A 24 3.673 -12.450 1.702 1.00 0.00 N ATOM 353 CA THR A 24 3.887 -13.860 2.003 1.00 0.00 C ATOM 354 C THR A 24 4.375 -14.617 0.774 1.00 0.00 C ATOM 355 O THR A 24 4.050 -14.259 -0.358 1.00 0.00 O ATOM 356 CB THR A 24 2.598 -14.525 2.523 1.00 0.00 C ATOM 357 OG1 THR A 24 1.467 -13.696 2.232 1.00 0.00 O ATOM 358 CG2 THR A 24 2.682 -14.768 4.023 1.00 0.00 C ATOM 0 H THR A 24 3.923 -12.179 0.751 1.00 0.00 H new ATOM 0 HA THR A 24 4.650 -13.905 2.780 1.00 0.00 H new ATOM 0 HB THR A 24 2.483 -15.485 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.652 -14.126 2.565 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.761 -15.238 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.526 -15.423 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.819 -13.817 4.538 1.00 0.00 H new ATOM 366 N VAL A 25 5.157 -15.667 1.003 1.00 0.00 N ATOM 367 CA VAL A 25 5.689 -16.477 -0.087 1.00 0.00 C ATOM 368 C VAL A 25 4.565 -17.101 -0.907 1.00 0.00 C ATOM 369 O VAL A 25 4.533 -16.977 -2.132 1.00 0.00 O ATOM 370 CB VAL A 25 6.607 -17.595 0.441 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.437 -18.861 -0.386 1.00 0.00 C ATOM 372 CG2 VAL A 25 8.058 -17.139 0.439 1.00 0.00 C ATOM 0 H VAL A 25 5.436 -15.977 1.934 1.00 0.00 H new ATOM 0 HA VAL A 25 6.271 -15.810 -0.723 1.00 0.00 H new ATOM 0 HB VAL A 25 6.322 -17.819 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.094 -19.640 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.402 -19.197 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.694 -18.654 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.692 -17.942 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.358 -16.885 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.165 -16.262 1.078 1.00 0.00 H new ATOM 382 N LEU A 26 3.644 -17.772 -0.224 1.00 0.00 N ATOM 383 CA LEU A 26 2.517 -18.416 -0.888 1.00 0.00 C ATOM 384 C LEU A 26 1.675 -17.394 -1.645 1.00 0.00 C ATOM 385 O LEU A 26 0.959 -17.739 -2.586 1.00 0.00 O ATOM 386 CB LEU A 26 1.649 -19.152 0.134 1.00 0.00 C ATOM 387 CG LEU A 26 0.272 -18.547 0.405 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.733 -19.019 -0.635 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.202 -18.903 1.807 1.00 0.00 C ATOM 0 H LEU A 26 3.656 -17.884 0.790 1.00 0.00 H new ATOM 0 HA LEU A 26 2.913 -19.136 -1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.512 -20.178 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.194 -19.200 1.077 1.00 0.00 H new ATOM 0 HG LEU A 26 0.354 -17.462 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.708 -18.578 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.401 -18.712 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.811 -20.106 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.184 -18.463 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.267 -19.987 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.505 -18.514 2.540 1.00 0.00 H new ATOM 401 N ASP A 27 1.767 -16.135 -1.230 1.00 0.00 N ATOM 402 CA ASP A 27 1.016 -15.062 -1.870 1.00 0.00 C ATOM 403 C ASP A 27 1.634 -14.694 -3.216 1.00 0.00 C ATOM 404 O ASP A 27 0.927 -14.527 -4.211 1.00 0.00 O ATOM 405 CB ASP A 27 0.969 -13.832 -0.963 1.00 0.00 C ATOM 406 CG ASP A 27 -0.052 -12.811 -1.424 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.154 -12.584 -2.648 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.750 -12.237 -0.562 1.00 0.00 O ATOM 0 H ASP A 27 2.355 -15.833 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.001 -15.416 -2.042 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.733 -14.143 0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.955 -13.368 -0.934 1.00 0.00 H new ATOM 413 N LEU A 28 2.956 -14.569 -3.239 1.00 0.00 N ATOM 414 CA LEU A 28 3.670 -14.220 -4.462 1.00 0.00 C ATOM 415 C LEU A 28 3.897 -15.453 -5.331 1.00 0.00 C ATOM 416 O LEU A 28 3.578 -15.456 -6.520 1.00 0.00 O ATOM 417 CB LEU A 28 5.011 -13.567 -4.125 1.00 0.00 C ATOM 418 CG LEU A 28 5.556 -12.579 -5.158 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.316 -11.455 -4.472 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.449 -13.295 -6.161 1.00 0.00 C ATOM 0 H LEU A 28 3.555 -14.704 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 28 3.058 -13.512 -5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.910 -13.047 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.750 -14.355 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 28 4.714 -12.144 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.696 -10.762 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.647 -10.925 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.150 -11.872 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.828 -12.577 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.286 -13.757 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.874 -14.064 -6.676 1.00 0.00 H new ATOM 432 N LYS A 29 4.449 -16.502 -4.729 1.00 0.00 N ATOM 433 CA LYS A 29 4.716 -17.743 -5.445 1.00 0.00 C ATOM 434 C LYS A 29 3.478 -18.210 -6.205 1.00 0.00 C ATOM 435 O LYS A 29 3.563 -18.592 -7.371 1.00 0.00 O ATOM 436 CB LYS A 29 5.169 -18.832 -4.469 1.00 0.00 C ATOM 437 CG LYS A 29 6.679 -18.947 -4.345 1.00 0.00 C ATOM 438 CD LYS A 29 7.278 -17.724 -3.671 1.00 0.00 C ATOM 439 CE LYS A 29 7.603 -16.634 -4.680 1.00 0.00 C ATOM 440 NZ LYS A 29 8.899 -15.967 -4.378 1.00 0.00 N ATOM 0 H LYS A 29 4.720 -16.516 -3.746 1.00 0.00 H new ATOM 0 HA LYS A 29 5.513 -17.554 -6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.747 -18.626 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.765 -19.791 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.931 -19.839 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.118 -19.069 -5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.579 -17.338 -2.929 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.185 -18.009 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.641 -17.065 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.805 -15.892 -4.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.397 -15.758 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.722 -15.081 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.485 -16.596 -3.793 1.00 0.00 H new ATOM 454 N GLN A 30 2.331 -18.175 -5.535 1.00 0.00 N ATOM 455 CA GLN A 30 1.076 -18.594 -6.149 1.00 0.00 C ATOM 456 C GLN A 30 0.805 -17.806 -7.426 1.00 0.00 C ATOM 457 O GLN A 30 0.275 -18.344 -8.399 1.00 0.00 O ATOM 458 CB GLN A 30 -0.082 -18.411 -5.167 1.00 0.00 C ATOM 459 CG GLN A 30 -0.449 -16.956 -4.923 1.00 0.00 C ATOM 460 CD GLN A 30 -1.619 -16.499 -5.771 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.521 -17.280 -6.078 1.00 0.00 O ATOM 462 NE2 GLN A 30 -1.612 -15.228 -6.155 1.00 0.00 N ATOM 0 H GLN A 30 2.244 -17.861 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 30 1.161 -19.650 -6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.957 -18.939 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.182 -18.875 -4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.693 -16.819 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.416 -16.327 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.845 -14.616 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.374 -14.864 -6.727 1.00 0.00 H new ATOM 471 N PHE A 31 1.170 -16.528 -7.416 1.00 0.00 N ATOM 472 CA PHE A 31 0.965 -15.665 -8.574 1.00 0.00 C ATOM 473 C PHE A 31 1.823 -16.120 -9.750 1.00 0.00 C ATOM 474 O PHE A 31 1.308 -16.430 -10.826 1.00 0.00 O ATOM 475 CB PHE A 31 1.294 -14.214 -8.219 1.00 0.00 C ATOM 476 CG PHE A 31 0.694 -13.215 -9.167 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.603 -12.761 -8.987 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.428 -12.728 -10.236 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.157 -11.842 -9.858 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.880 -11.809 -11.111 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.414 -11.365 -10.921 1.00 0.00 C ATOM 0 H PHE A 31 1.609 -16.067 -6.619 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.083 -15.732 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.938 -14.005 -7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.377 -14.087 -8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.187 -13.129 -8.157 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.441 -13.071 -10.388 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.169 -11.497 -9.708 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.463 -11.439 -11.942 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.845 -10.646 -11.602 1.00 0.00 H new ATOM 491 N LEU A 32 3.134 -16.158 -9.539 1.00 0.00 N ATOM 492 CA LEU A 32 4.065 -16.574 -10.582 1.00 0.00 C ATOM 493 C LEU A 32 3.831 -18.030 -10.971 1.00 0.00 C ATOM 494 O LEU A 32 4.109 -18.435 -12.100 1.00 0.00 O ATOM 495 CB LEU A 32 5.508 -16.387 -10.108 1.00 0.00 C ATOM 496 CG LEU A 32 5.850 -16.987 -8.744 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.269 -18.442 -8.891 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.949 -16.180 -8.067 1.00 0.00 C ATOM 0 H LEU A 32 3.576 -15.906 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 32 3.893 -15.950 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.173 -16.825 -10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.723 -15.319 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 32 4.959 -16.948 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.509 -18.852 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.453 -19.013 -9.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.146 -18.505 -9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.180 -16.621 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.843 -16.187 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.613 -15.153 -7.927 1.00 0.00 H new ATOM 510 N LYS A 33 3.316 -18.814 -10.030 1.00 0.00 N ATOM 511 CA LYS A 33 3.040 -20.224 -10.274 1.00 0.00 C ATOM 512 C LYS A 33 2.065 -20.395 -11.436 1.00 0.00 C ATOM 513 O LYS A 33 2.142 -21.368 -12.187 1.00 0.00 O ATOM 514 CB LYS A 33 2.468 -20.879 -9.015 1.00 0.00 C ATOM 515 CG LYS A 33 1.193 -21.666 -9.264 1.00 0.00 C ATOM 516 CD LYS A 33 1.483 -23.003 -9.926 1.00 0.00 C ATOM 517 CE LYS A 33 0.229 -23.601 -10.545 1.00 0.00 C ATOM 518 NZ LYS A 33 0.134 -23.305 -12.001 1.00 0.00 N ATOM 0 H LYS A 33 3.081 -18.496 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 33 3.979 -20.712 -10.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.219 -21.545 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.269 -20.107 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.676 -21.832 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.523 -21.084 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.243 -22.872 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.892 -23.694 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.228 -24.680 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.651 -23.207 -10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.769 -22.829 -12.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.921 -22.686 -12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.183 -24.193 -12.540 1.00 0.00 H new ATOM 532 N THR A 34 1.149 -19.442 -11.579 1.00 0.00 N ATOM 533 CA THR A 34 0.161 -19.486 -12.649 1.00 0.00 C ATOM 534 C THR A 34 0.807 -19.233 -14.006 1.00 0.00 C ATOM 535 O THR A 34 0.296 -19.668 -15.039 1.00 0.00 O ATOM 536 CB THR A 34 -0.957 -18.451 -12.424 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.152 -18.866 -13.096 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.535 -17.080 -12.931 1.00 0.00 C ATOM 0 H THR A 34 1.071 -18.630 -10.967 1.00 0.00 H new ATOM 0 HA THR A 34 -0.272 -20.486 -12.638 1.00 0.00 H new ATOM 0 HB THR A 34 -1.148 -18.383 -11.353 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.858 -18.203 -12.947 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.341 -16.366 -12.761 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.358 -16.754 -12.397 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.319 -17.137 -13.998 1.00 0.00 H new ATOM 546 N LEU A 35 1.934 -18.529 -13.997 1.00 0.00 N ATOM 547 CA LEU A 35 2.652 -18.219 -15.228 1.00 0.00 C ATOM 548 C LEU A 35 3.763 -19.232 -15.481 1.00 0.00 C ATOM 549 O LEU A 35 4.230 -19.391 -16.610 1.00 0.00 O ATOM 550 CB LEU A 35 3.238 -16.808 -15.158 1.00 0.00 C ATOM 551 CG LEU A 35 2.240 -15.677 -14.911 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.343 -15.177 -13.478 1.00 0.00 C ATOM 553 CD2 LEU A 35 2.470 -14.538 -15.893 1.00 0.00 C ATOM 0 H LEU A 35 2.370 -18.162 -13.151 1.00 0.00 H new ATOM 0 HA LEU A 35 1.944 -18.271 -16.055 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.985 -16.786 -14.365 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.760 -16.607 -16.093 1.00 0.00 H new ATOM 0 HG LEU A 35 1.234 -16.066 -15.067 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.625 -14.372 -13.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.127 -15.995 -12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.351 -14.805 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.750 -13.742 -15.702 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.481 -14.150 -15.770 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.343 -14.905 -16.912 1.00 0.00 H new ATOM 565 N THR A 36 4.183 -19.919 -14.423 1.00 0.00 N ATOM 566 CA THR A 36 5.238 -20.918 -14.529 1.00 0.00 C ATOM 567 C THR A 36 4.662 -22.329 -14.533 1.00 0.00 C ATOM 568 O THR A 36 5.279 -23.262 -15.045 1.00 0.00 O ATOM 569 CB THR A 36 6.250 -20.792 -13.374 1.00 0.00 C ATOM 570 OG1 THR A 36 5.665 -21.267 -12.157 1.00 0.00 O ATOM 571 CG2 THR A 36 6.695 -19.348 -13.200 1.00 0.00 C ATOM 0 H THR A 36 3.808 -19.801 -13.482 1.00 0.00 H new ATOM 0 HA THR A 36 5.751 -20.736 -15.473 1.00 0.00 H new ATOM 0 HB THR A 36 7.123 -21.397 -13.617 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.810 -20.609 -11.446 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.409 -19.284 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.166 -18.999 -14.119 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.829 -18.725 -12.977 1.00 0.00 H new ATOM 579 N GLY A 37 3.472 -22.479 -13.958 1.00 0.00 N ATOM 580 CA GLY A 37 2.832 -23.780 -13.907 1.00 0.00 C ATOM 581 C GLY A 37 3.238 -24.579 -12.684 1.00 0.00 C ATOM 582 O GLY A 37 2.605 -25.580 -12.349 1.00 0.00 O ATOM 0 H GLY A 37 2.940 -21.723 -13.527 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.750 -23.649 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.087 -24.342 -14.805 1.00 0.00 H new ATOM 586 N VAL A 38 4.298 -24.136 -12.015 1.00 0.00 N ATOM 587 CA VAL A 38 4.788 -24.816 -10.822 1.00 0.00 C ATOM 588 C VAL A 38 4.416 -24.048 -9.559 1.00 0.00 C ATOM 589 O VAL A 38 4.582 -22.830 -9.489 1.00 0.00 O ATOM 590 CB VAL A 38 6.317 -24.997 -10.868 1.00 0.00 C ATOM 591 CG1 VAL A 38 6.993 -23.716 -11.334 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.844 -25.423 -9.506 1.00 0.00 C ATOM 0 H VAL A 38 4.834 -23.309 -12.279 1.00 0.00 H new ATOM 0 HA VAL A 38 4.313 -25.797 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 38 6.551 -25.784 -11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.073 -23.863 -11.360 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.637 -23.459 -12.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.754 -22.907 -10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.926 -25.546 -9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.600 -24.660 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.384 -26.368 -9.217 1.00 0.00 H new ATOM 602 N LEU A 39 3.913 -24.768 -8.563 1.00 0.00 N ATOM 603 CA LEU A 39 3.517 -24.154 -7.300 1.00 0.00 C ATOM 604 C LEU A 39 4.624 -24.288 -6.259 1.00 0.00 C ATOM 605 O LEU A 39 5.528 -25.116 -6.380 1.00 0.00 O ATOM 606 CB LEU A 39 2.231 -24.798 -6.778 1.00 0.00 C ATOM 607 CG LEU A 39 2.051 -26.284 -7.087 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.673 -26.484 -8.547 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.319 -27.056 -6.752 1.00 0.00 C ATOM 0 H LEU A 39 3.770 -25.777 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 39 3.338 -23.094 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.195 -24.665 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.382 -24.256 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 39 1.241 -26.669 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.549 -27.548 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.738 -25.964 -8.755 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.461 -26.083 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.172 -28.112 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.148 -26.669 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.546 -26.940 -5.692 1.00 0.00 H new ATOM 621 N PRO A 40 4.554 -23.456 -5.209 1.00 0.00 N ATOM 622 CA PRO A 40 5.540 -23.464 -4.125 1.00 0.00 C ATOM 623 C PRO A 40 5.444 -24.718 -3.263 1.00 0.00 C ATOM 624 O PRO A 40 6.415 -25.115 -2.619 1.00 0.00 O ATOM 625 CB PRO A 40 5.178 -22.223 -3.306 1.00 0.00 C ATOM 626 CG PRO A 40 3.731 -21.997 -3.582 1.00 0.00 C ATOM 627 CD PRO A 40 3.505 -22.444 -4.999 1.00 0.00 C ATOM 0 HA PRO A 40 6.562 -23.458 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.358 -22.384 -2.243 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.777 -21.363 -3.604 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.109 -22.564 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.470 -20.946 -3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.508 -22.864 -5.134 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.599 -21.616 -5.701 1.00 0.00 H new ATOM 635 N GLU A 41 4.267 -25.337 -3.255 1.00 0.00 N ATOM 636 CA GLU A 41 4.046 -26.546 -2.471 1.00 0.00 C ATOM 637 C GLU A 41 4.932 -27.686 -2.966 1.00 0.00 C ATOM 638 O GLU A 41 5.128 -28.681 -2.269 1.00 0.00 O ATOM 639 CB GLU A 41 2.575 -26.962 -2.539 1.00 0.00 C ATOM 640 CG GLU A 41 2.133 -27.414 -3.921 1.00 0.00 C ATOM 641 CD GLU A 41 0.869 -28.251 -3.885 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.230 -27.664 -3.805 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.980 -29.494 -3.936 1.00 0.00 O ATOM 0 H GLU A 41 3.453 -25.021 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 41 4.308 -26.330 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.402 -27.771 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.954 -26.123 -2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.967 -26.539 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.933 -27.991 -4.384 1.00 0.00 H new ATOM 650 N ARG A 42 5.462 -27.533 -4.175 1.00 0.00 N ATOM 651 CA ARG A 42 6.326 -28.549 -4.765 1.00 0.00 C ATOM 652 C ARG A 42 7.792 -28.136 -4.674 1.00 0.00 C ATOM 653 O ARG A 42 8.660 -28.957 -4.379 1.00 0.00 O ATOM 654 CB ARG A 42 5.941 -28.789 -6.226 1.00 0.00 C ATOM 655 CG ARG A 42 4.839 -29.820 -6.404 1.00 0.00 C ATOM 656 CD ARG A 42 5.399 -31.234 -6.440 1.00 0.00 C ATOM 657 NE ARG A 42 5.599 -31.777 -5.099 1.00 0.00 N ATOM 658 CZ ARG A 42 4.605 -32.130 -4.292 1.00 0.00 C ATOM 659 NH1 ARG A 42 3.346 -31.997 -4.689 1.00 0.00 N ATOM 660 NH2 ARG A 42 4.867 -32.617 -3.087 1.00 0.00 N ATOM 0 H ARG A 42 5.308 -26.715 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 42 6.193 -29.474 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.619 -27.846 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.824 -29.114 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.122 -29.732 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.297 -29.619 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.718 -31.880 -6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.348 -31.235 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 42 6.555 -31.892 -4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.140 -31.623 -5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.584 -32.269 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.834 -32.721 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.102 -32.887 -2.469 1.00 0.00 H new ATOM 674 N GLN A 43 8.059 -26.859 -4.931 1.00 0.00 N ATOM 675 CA GLN A 43 9.420 -26.339 -4.880 1.00 0.00 C ATOM 676 C GLN A 43 9.466 -25.010 -4.133 1.00 0.00 C ATOM 677 O GLN A 43 8.431 -24.462 -3.753 1.00 0.00 O ATOM 678 CB GLN A 43 9.974 -26.162 -6.295 1.00 0.00 C ATOM 679 CG GLN A 43 8.945 -25.656 -7.293 1.00 0.00 C ATOM 680 CD GLN A 43 9.453 -24.488 -8.114 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.580 -24.582 -9.336 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.747 -23.378 -7.447 1.00 0.00 N ATOM 0 H GLN A 43 7.351 -26.167 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 43 10.038 -27.059 -4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.811 -25.464 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.367 -27.117 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.662 -26.469 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.044 -25.355 -6.759 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.627 -23.344 -6.435 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.093 -22.559 -7.947 1.00 0.00 H new ATOM 691 N LYS A 44 10.674 -24.497 -3.925 1.00 0.00 N ATOM 692 CA LYS A 44 10.857 -23.231 -3.223 1.00 0.00 C ATOM 693 C LYS A 44 11.788 -22.308 -4.002 1.00 0.00 C ATOM 694 O LYS A 44 12.622 -22.766 -4.785 1.00 0.00 O ATOM 695 CB LYS A 44 11.421 -23.478 -1.822 1.00 0.00 C ATOM 696 CG LYS A 44 12.702 -24.293 -1.817 1.00 0.00 C ATOM 697 CD LYS A 44 12.463 -25.706 -1.310 1.00 0.00 C ATOM 698 CE LYS A 44 13.366 -26.710 -2.009 1.00 0.00 C ATOM 699 NZ LYS A 44 14.587 -27.007 -1.210 1.00 0.00 N ATOM 0 H LYS A 44 11.541 -24.938 -4.232 1.00 0.00 H new ATOM 0 HA LYS A 44 9.884 -22.748 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.609 -22.518 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.670 -23.993 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.113 -24.332 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.445 -23.801 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.640 -25.743 -0.235 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.420 -25.980 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.814 -27.633 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.656 -26.320 -2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.177 -27.695 -1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.127 -26.131 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.311 -27.403 -0.289 1.00 0.00 H new ATOM 713 N LEU A 45 11.643 -21.006 -3.782 1.00 0.00 N ATOM 714 CA LEU A 45 12.472 -20.017 -4.462 1.00 0.00 C ATOM 715 C LEU A 45 13.854 -19.933 -3.822 1.00 0.00 C ATOM 716 O LEU A 45 13.985 -19.943 -2.598 1.00 0.00 O ATOM 717 CB LEU A 45 11.797 -18.645 -4.427 1.00 0.00 C ATOM 718 CG LEU A 45 10.994 -18.260 -5.670 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.865 -18.341 -6.914 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.772 -19.155 -5.813 1.00 0.00 C ATOM 0 H LEU A 45 10.959 -20.610 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 45 12.590 -20.330 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.132 -18.612 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.565 -17.888 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 45 10.654 -17.231 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.277 -18.064 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.709 -17.658 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.235 -19.359 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.212 -18.867 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.090 -20.193 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.137 -19.047 -4.934 1.00 0.00 H new ATOM 732 N LEU A 46 14.883 -19.848 -4.659 1.00 0.00 N ATOM 733 CA LEU A 46 16.257 -19.759 -4.175 1.00 0.00 C ATOM 734 C LEU A 46 16.397 -18.653 -3.134 1.00 0.00 C ATOM 735 O LEU A 46 16.350 -17.468 -3.462 1.00 0.00 O ATOM 736 CB LEU A 46 17.213 -19.502 -5.341 1.00 0.00 C ATOM 737 CG LEU A 46 18.210 -20.620 -5.650 1.00 0.00 C ATOM 738 CD1 LEU A 46 18.975 -20.314 -6.928 1.00 0.00 C ATOM 739 CD2 LEU A 46 19.169 -20.816 -4.485 1.00 0.00 C ATOM 0 H LEU A 46 14.792 -19.839 -5.675 1.00 0.00 H new ATOM 0 HA LEU A 46 16.513 -20.709 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.620 -19.313 -6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.773 -18.591 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 46 17.655 -21.546 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.680 -21.120 -7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.275 -20.225 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.520 -19.377 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.871 -21.615 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.718 -19.892 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.605 -21.082 -3.591 1.00 0.00 H new ATOM 751 N GLY A 47 16.572 -19.049 -1.877 1.00 0.00 N ATOM 752 CA GLY A 47 16.719 -18.079 -0.807 1.00 0.00 C ATOM 753 C GLY A 47 17.324 -18.684 0.444 1.00 0.00 C ATOM 754 O GLY A 47 18.365 -19.340 0.386 1.00 0.00 O ATOM 0 H GLY A 47 16.615 -20.024 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.347 -17.257 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.743 -17.656 -0.567 1.00 0.00 H new ATOM 758 N LEU A 48 16.672 -18.463 1.581 1.00 0.00 N ATOM 759 CA LEU A 48 17.153 -18.990 2.853 1.00 0.00 C ATOM 760 C LEU A 48 16.073 -19.817 3.543 1.00 0.00 C ATOM 761 O LEU A 48 14.972 -19.983 3.018 1.00 0.00 O ATOM 762 CB LEU A 48 17.595 -17.845 3.767 1.00 0.00 C ATOM 763 CG LEU A 48 18.933 -17.190 3.422 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.108 -15.893 4.196 1.00 0.00 C ATOM 765 CD2 LEU A 48 20.084 -18.144 3.708 1.00 0.00 C ATOM 0 H LEU A 48 15.809 -17.923 1.647 1.00 0.00 H new ATOM 0 HA LEU A 48 18.007 -19.637 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.822 -17.076 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 17.650 -18.222 4.788 1.00 0.00 H new ATOM 0 HG LEU A 48 18.937 -16.957 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.066 -15.441 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.302 -15.205 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.082 -16.101 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 21.028 -17.661 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.083 -18.409 4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.967 -19.046 3.107 1.00 0.00 H new ATOM 777 N LYS A 49 16.395 -20.334 4.724 1.00 0.00 N ATOM 778 CA LYS A 49 15.452 -21.142 5.489 1.00 0.00 C ATOM 779 C LYS A 49 15.250 -20.565 6.886 1.00 0.00 C ATOM 780 O LYS A 49 16.209 -20.176 7.553 1.00 0.00 O ATOM 781 CB LYS A 49 15.950 -22.585 5.589 1.00 0.00 C ATOM 782 CG LYS A 49 16.519 -23.124 4.288 1.00 0.00 C ATOM 783 CD LYS A 49 16.492 -24.643 4.254 1.00 0.00 C ATOM 784 CE LYS A 49 17.709 -25.237 4.947 1.00 0.00 C ATOM 785 NZ LYS A 49 18.917 -25.200 4.076 1.00 0.00 N ATOM 0 H LYS A 49 17.302 -20.208 5.173 1.00 0.00 H new ATOM 0 HA LYS A 49 14.495 -21.130 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.716 -22.643 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.126 -23.224 5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.946 -22.730 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.544 -22.775 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.584 -25.003 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.458 -24.984 3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.908 -24.687 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.498 -26.268 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.724 -25.614 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.737 -25.746 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.134 -24.214 3.825 1.00 0.00 H new ATOM 799 N VAL A 50 13.996 -20.512 7.324 1.00 0.00 N ATOM 800 CA VAL A 50 13.668 -19.985 8.643 1.00 0.00 C ATOM 801 C VAL A 50 13.146 -21.086 9.560 1.00 0.00 C ATOM 802 O VAL A 50 12.303 -21.891 9.165 1.00 0.00 O ATOM 803 CB VAL A 50 12.616 -18.864 8.554 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.312 -19.399 7.983 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.391 -18.236 9.921 1.00 0.00 C ATOM 0 H VAL A 50 13.190 -20.828 6.784 1.00 0.00 H new ATOM 0 HA VAL A 50 14.589 -19.576 9.059 1.00 0.00 H new ATOM 0 HB VAL A 50 12.989 -18.092 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.581 -18.592 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.489 -19.798 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.930 -20.191 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.645 -17.446 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.039 -18.997 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.327 -17.815 10.286 1.00 0.00 H new ATOM 815 N LYS A 51 13.651 -21.114 10.789 1.00 0.00 N ATOM 816 CA LYS A 51 13.235 -22.114 11.765 1.00 0.00 C ATOM 817 C LYS A 51 13.561 -23.521 11.275 1.00 0.00 C ATOM 818 O LYS A 51 12.996 -24.502 11.756 1.00 0.00 O ATOM 819 CB LYS A 51 11.735 -21.993 12.042 1.00 0.00 C ATOM 820 CG LYS A 51 11.306 -20.602 12.475 1.00 0.00 C ATOM 821 CD LYS A 51 11.637 -20.346 13.935 1.00 0.00 C ATOM 822 CE LYS A 51 10.814 -19.197 14.500 1.00 0.00 C ATOM 823 NZ LYS A 51 11.515 -18.511 15.621 1.00 0.00 N ATOM 0 H LYS A 51 14.350 -20.455 11.133 1.00 0.00 H new ATOM 0 HA LYS A 51 13.784 -21.934 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.185 -22.270 11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.459 -22.707 12.818 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.802 -19.857 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.234 -20.486 12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.449 -21.249 14.516 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.698 -20.118 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.604 -18.477 13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.854 -19.576 14.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.922 -17.735 15.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.693 -19.191 16.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.420 -18.127 15.281 1.00 0.00 H new ATOM 837 N GLY A 52 14.477 -23.612 10.316 1.00 0.00 N ATOM 838 CA GLY A 52 14.863 -24.903 9.778 1.00 0.00 C ATOM 839 C GLY A 52 13.984 -25.336 8.622 1.00 0.00 C ATOM 840 O GLY A 52 14.232 -26.366 7.995 1.00 0.00 O ATOM 0 H GLY A 52 14.959 -22.814 9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.900 -24.859 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.813 -25.652 10.568 1.00 0.00 H new ATOM 844 N LYS A 53 12.951 -24.549 8.339 1.00 0.00 N ATOM 845 CA LYS A 53 12.030 -24.855 7.251 1.00 0.00 C ATOM 846 C LYS A 53 12.395 -24.074 5.993 1.00 0.00 C ATOM 847 O LYS A 53 12.853 -22.932 6.053 1.00 0.00 O ATOM 848 CB LYS A 53 10.593 -24.533 7.666 1.00 0.00 C ATOM 849 CG LYS A 53 9.986 -25.560 8.606 1.00 0.00 C ATOM 850 CD LYS A 53 9.228 -26.634 7.844 1.00 0.00 C ATOM 851 CE LYS A 53 10.036 -27.919 7.741 1.00 0.00 C ATOM 852 NZ LYS A 53 9.167 -29.100 7.479 1.00 0.00 N ATOM 0 H LYS A 53 12.731 -23.694 8.849 1.00 0.00 H new ATOM 0 HA LYS A 53 12.108 -25.920 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.573 -23.556 8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.973 -24.460 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.775 -26.022 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.312 -25.063 9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.281 -26.837 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.989 -26.272 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.770 -27.823 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.591 -28.074 8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.754 -29.956 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.483 -29.206 8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.656 -28.963 6.583 1.00 0.00 H new ATOM 866 N PRO A 54 12.187 -24.700 4.825 1.00 0.00 N ATOM 867 CA PRO A 54 12.486 -24.081 3.531 1.00 0.00 C ATOM 868 C PRO A 54 11.531 -22.939 3.200 1.00 0.00 C ATOM 869 O PRO A 54 10.757 -23.020 2.247 1.00 0.00 O ATOM 870 CB PRO A 54 12.308 -25.231 2.537 1.00 0.00 C ATOM 871 CG PRO A 54 11.359 -26.166 3.206 1.00 0.00 C ATOM 872 CD PRO A 54 11.644 -26.061 4.679 1.00 0.00 C ATOM 0 HA PRO A 54 13.480 -23.635 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.910 -24.875 1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.259 -25.719 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.326 -25.896 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.503 -27.187 2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.741 -26.199 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.359 -26.816 5.005 1.00 0.00 H new ATOM 880 N ALA A 55 11.591 -21.874 3.994 1.00 0.00 N ATOM 881 CA ALA A 55 10.733 -20.715 3.784 1.00 0.00 C ATOM 882 C ALA A 55 9.280 -21.135 3.595 1.00 0.00 C ATOM 883 O ALA A 55 8.790 -21.216 2.469 1.00 0.00 O ATOM 884 CB ALA A 55 11.214 -19.914 2.583 1.00 0.00 C ATOM 0 H ALA A 55 12.225 -21.791 4.788 1.00 0.00 H new ATOM 0 HA ALA A 55 10.789 -20.086 4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.564 -19.051 2.437 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.235 -19.574 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.188 -20.542 1.693 1.00 0.00 H new ATOM 890 N GLU A 56 8.596 -21.401 4.703 1.00 0.00 N ATOM 891 CA GLU A 56 7.199 -21.815 4.658 1.00 0.00 C ATOM 892 C GLU A 56 6.380 -20.869 3.784 1.00 0.00 C ATOM 893 O GLU A 56 6.758 -19.717 3.574 1.00 0.00 O ATOM 894 CB GLU A 56 6.610 -21.859 6.070 1.00 0.00 C ATOM 895 CG GLU A 56 5.556 -22.938 6.256 1.00 0.00 C ATOM 896 CD GLU A 56 5.700 -23.673 7.574 1.00 0.00 C ATOM 897 OE1 GLU A 56 6.210 -23.067 8.540 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.303 -24.855 7.640 1.00 0.00 O ATOM 0 H GLU A 56 8.987 -21.337 5.643 1.00 0.00 H new ATOM 0 HA GLU A 56 7.157 -22.814 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.416 -22.022 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.170 -20.889 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.566 -22.486 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.625 -23.653 5.436 1.00 0.00 H new ATOM 905 N ASN A 57 5.256 -21.365 3.276 1.00 0.00 N ATOM 906 CA ASN A 57 4.384 -20.566 2.424 1.00 0.00 C ATOM 907 C ASN A 57 3.929 -19.301 3.145 1.00 0.00 C ATOM 908 O ASN A 57 3.645 -18.282 2.515 1.00 0.00 O ATOM 909 CB ASN A 57 3.167 -21.386 1.992 1.00 0.00 C ATOM 910 CG ASN A 57 3.227 -21.784 0.530 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.827 -21.088 -0.290 1.00 0.00 O ATOM 912 ND2 ASN A 57 2.602 -22.907 0.196 1.00 0.00 N ATOM 0 H ASN A 57 4.928 -22.317 3.440 1.00 0.00 H new ATOM 0 HA ASN A 57 4.950 -20.275 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.100 -22.283 2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.261 -20.808 2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.607 -23.224 -0.773 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.117 -23.452 0.909 1.00 0.00 H new ATOM 919 N ASP A 58 3.861 -19.374 4.470 1.00 0.00 N ATOM 920 CA ASP A 58 3.443 -18.235 5.278 1.00 0.00 C ATOM 921 C ASP A 58 4.598 -17.261 5.486 1.00 0.00 C ATOM 922 O ASP A 58 4.401 -16.133 5.939 1.00 0.00 O ATOM 923 CB ASP A 58 2.911 -18.710 6.632 1.00 0.00 C ATOM 924 CG ASP A 58 2.431 -17.564 7.500 1.00 0.00 C ATOM 925 OD1 ASP A 58 3.269 -16.961 8.203 1.00 0.00 O ATOM 926 OD2 ASP A 58 1.217 -17.270 7.478 1.00 0.00 O ATOM 0 H ASP A 58 4.090 -20.210 5.007 1.00 0.00 H new ATOM 0 HA ASP A 58 2.646 -17.717 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.090 -19.409 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.696 -19.255 7.156 1.00 0.00 H new ATOM 931 N VAL A 59 5.806 -17.704 5.152 1.00 0.00 N ATOM 932 CA VAL A 59 6.994 -16.873 5.301 1.00 0.00 C ATOM 933 C VAL A 59 7.020 -15.759 4.260 1.00 0.00 C ATOM 934 O VAL A 59 6.793 -15.997 3.073 1.00 0.00 O ATOM 935 CB VAL A 59 8.283 -17.707 5.176 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.510 -16.814 5.279 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.316 -18.797 6.236 1.00 0.00 C ATOM 0 H VAL A 59 5.987 -18.635 4.776 1.00 0.00 H new ATOM 0 HA VAL A 59 6.949 -16.434 6.298 1.00 0.00 H new ATOM 0 HB VAL A 59 8.293 -18.184 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.411 -17.421 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.489 -16.074 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.510 -16.306 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.233 -19.377 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.283 -18.343 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.456 -19.454 6.109 1.00 0.00 H new ATOM 947 N LYS A 60 7.298 -14.541 4.711 1.00 0.00 N ATOM 948 CA LYS A 60 7.356 -13.388 3.820 1.00 0.00 C ATOM 949 C LYS A 60 8.541 -13.497 2.866 1.00 0.00 C ATOM 950 O LYS A 60 9.509 -14.208 3.141 1.00 0.00 O ATOM 951 CB LYS A 60 7.457 -12.095 4.631 1.00 0.00 C ATOM 952 CG LYS A 60 6.735 -12.156 5.966 1.00 0.00 C ATOM 953 CD LYS A 60 6.063 -10.834 6.297 1.00 0.00 C ATOM 954 CE LYS A 60 4.574 -11.015 6.554 1.00 0.00 C ATOM 955 NZ LYS A 60 4.295 -11.369 7.973 1.00 0.00 N ATOM 0 H LYS A 60 7.487 -14.326 5.690 1.00 0.00 H new ATOM 0 HA LYS A 60 6.439 -13.369 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.508 -11.867 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.047 -11.274 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.987 -12.949 5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.444 -12.412 6.753 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.534 -10.395 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.209 -10.134 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.047 -10.096 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.185 -11.797 5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.270 -11.484 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.777 -12.260 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.643 -10.611 8.595 1.00 0.00 H new ATOM 969 N LEU A 61 8.460 -12.788 1.746 1.00 0.00 N ATOM 970 CA LEU A 61 9.527 -12.803 0.751 1.00 0.00 C ATOM 971 C LEU A 61 10.771 -12.094 1.277 1.00 0.00 C ATOM 972 O LEU A 61 11.813 -12.716 1.481 1.00 0.00 O ATOM 973 CB LEU A 61 9.055 -12.138 -0.543 1.00 0.00 C ATOM 974 CG LEU A 61 7.959 -12.873 -1.314 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.293 -14.352 -1.439 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.610 -12.685 -0.635 1.00 0.00 C ATOM 0 H LEU A 61 7.666 -12.195 1.504 1.00 0.00 H new ATOM 0 HA LEU A 61 9.783 -13.842 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.694 -11.138 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.916 -12.017 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 61 7.901 -12.449 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.501 -14.858 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.237 -14.468 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.380 -14.791 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.842 -13.215 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.655 -13.081 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.365 -11.623 -0.599 1.00 0.00 H new ATOM 988 N GLY A 62 10.654 -10.788 1.496 1.00 0.00 N ATOM 989 CA GLY A 62 11.775 -10.016 1.997 1.00 0.00 C ATOM 990 C GLY A 62 12.341 -10.584 3.284 1.00 0.00 C ATOM 991 O GLY A 62 13.426 -10.199 3.716 1.00 0.00 O ATOM 0 H GLY A 62 9.802 -10.251 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.559 -9.987 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.457 -8.987 2.166 1.00 0.00 H new ATOM 995 N ALA A 63 11.602 -11.503 3.898 1.00 0.00 N ATOM 996 CA ALA A 63 12.036 -12.125 5.143 1.00 0.00 C ATOM 997 C ALA A 63 13.356 -12.866 4.955 1.00 0.00 C ATOM 998 O ALA A 63 14.361 -12.535 5.585 1.00 0.00 O ATOM 999 CB ALA A 63 10.965 -13.074 5.660 1.00 0.00 C ATOM 0 H ALA A 63 10.700 -11.833 3.553 1.00 0.00 H new ATOM 0 HA ALA A 63 12.193 -11.337 5.879 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.302 -13.531 6.590 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.044 -12.519 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.780 -13.852 4.919 1.00 0.00 H new ATOM 1005 N LEU A 64 13.346 -13.870 4.085 1.00 0.00 N ATOM 1006 CA LEU A 64 14.543 -14.659 3.815 1.00 0.00 C ATOM 1007 C LEU A 64 14.870 -14.659 2.325 1.00 0.00 C ATOM 1008 O LEU A 64 16.038 -14.668 1.934 1.00 0.00 O ATOM 1009 CB LEU A 64 14.353 -16.095 4.307 1.00 0.00 C ATOM 1010 CG LEU A 64 12.907 -16.554 4.497 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.202 -16.671 3.155 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.861 -17.879 5.243 1.00 0.00 C ATOM 0 H LEU A 64 12.523 -14.157 3.555 1.00 0.00 H new ATOM 0 HA LEU A 64 15.376 -14.205 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.836 -16.767 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.876 -16.204 5.257 1.00 0.00 H new ATOM 0 HG LEU A 64 12.385 -15.806 5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.174 -16.999 3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.202 -15.701 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.724 -17.397 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.824 -18.190 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.400 -18.636 4.674 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.326 -17.762 6.222 1.00 0.00 H new ATOM 1024 N LYS A 65 13.831 -14.647 1.496 1.00 0.00 N ATOM 1025 CA LYS A 65 14.007 -14.641 0.049 1.00 0.00 C ATOM 1026 C LYS A 65 14.997 -13.561 -0.375 1.00 0.00 C ATOM 1027 O LYS A 65 16.187 -13.828 -0.544 1.00 0.00 O ATOM 1028 CB LYS A 65 12.662 -14.418 -0.647 1.00 0.00 C ATOM 1029 CG LYS A 65 11.613 -15.457 -0.292 1.00 0.00 C ATOM 1030 CD LYS A 65 11.937 -16.809 -0.904 1.00 0.00 C ATOM 1031 CE LYS A 65 12.028 -17.894 0.158 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.737 -19.243 -0.402 1.00 0.00 N ATOM 0 H LYS A 65 12.858 -14.641 1.802 1.00 0.00 H new ATOM 0 HA LYS A 65 14.407 -15.611 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.286 -13.430 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.816 -14.423 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.548 -15.554 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.636 -15.123 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.169 -17.074 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.881 -16.748 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.026 -17.890 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.325 -17.675 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.388 -19.939 0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.757 -19.508 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.863 -19.225 -1.434 1.00 0.00 H new ATOM 1046 N LEU A 66 14.498 -12.342 -0.545 1.00 0.00 N ATOM 1047 CA LEU A 66 15.339 -11.220 -0.948 1.00 0.00 C ATOM 1048 C LEU A 66 14.502 -9.967 -1.180 1.00 0.00 C ATOM 1049 O LEU A 66 13.305 -9.945 -0.893 1.00 0.00 O ATOM 1050 CB LEU A 66 16.116 -11.571 -2.218 1.00 0.00 C ATOM 1051 CG LEU A 66 15.356 -12.385 -3.266 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.187 -11.584 -3.819 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.290 -12.813 -4.389 1.00 0.00 C ATOM 0 H LEU A 66 13.515 -12.105 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 66 16.044 -11.018 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.453 -10.644 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.009 -12.127 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 66 14.962 -13.281 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.658 -12.179 -4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.505 -11.328 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.559 -10.670 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.732 -13.391 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.714 -11.929 -4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.094 -13.425 -3.980 1.00 0.00 H new ATOM 1065 N LYS A 67 15.139 -8.924 -1.702 1.00 0.00 N ATOM 1066 CA LYS A 67 14.453 -7.667 -1.976 1.00 0.00 C ATOM 1067 C LYS A 67 13.371 -7.857 -3.035 1.00 0.00 C ATOM 1068 O LYS A 67 13.330 -8.866 -3.740 1.00 0.00 O ATOM 1069 CB LYS A 67 15.454 -6.606 -2.439 1.00 0.00 C ATOM 1070 CG LYS A 67 15.848 -5.625 -1.349 1.00 0.00 C ATOM 1071 CD LYS A 67 17.039 -6.127 -0.550 1.00 0.00 C ATOM 1072 CE LYS A 67 17.509 -5.092 0.460 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.670 -5.580 1.254 1.00 0.00 N ATOM 0 H LYS A 67 16.130 -8.925 -1.944 1.00 0.00 H new ATOM 0 HA LYS A 67 13.979 -7.332 -1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.350 -7.102 -2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.025 -6.054 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.089 -4.661 -1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.002 -5.464 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.769 -7.047 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.856 -6.372 -1.228 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.785 -4.175 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.688 -4.842 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.961 -4.846 1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.400 -6.441 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.462 -5.795 0.615 1.00 0.00 H new ATOM 1087 N PRO A 68 12.476 -6.865 -3.152 1.00 0.00 N ATOM 1088 CA PRO A 68 11.379 -6.900 -4.125 1.00 0.00 C ATOM 1089 C PRO A 68 11.873 -6.756 -5.560 1.00 0.00 C ATOM 1090 O PRO A 68 11.656 -7.635 -6.392 1.00 0.00 O ATOM 1091 CB PRO A 68 10.519 -5.696 -3.732 1.00 0.00 C ATOM 1092 CG PRO A 68 11.460 -4.765 -3.049 1.00 0.00 C ATOM 1093 CD PRO A 68 12.465 -5.634 -2.345 1.00 0.00 C ATOM 0 HA PRO A 68 10.844 -7.849 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.067 -5.230 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.704 -5.991 -3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.949 -4.107 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.932 -4.127 -2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.449 -5.166 -2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.173 -5.832 -1.314 1.00 0.00 H new ATOM 1101 N ASN A 69 12.538 -5.640 -5.843 1.00 0.00 N ATOM 1102 CA ASN A 69 13.062 -5.381 -7.179 1.00 0.00 C ATOM 1103 C ASN A 69 14.019 -6.488 -7.613 1.00 0.00 C ATOM 1104 O ASN A 69 14.251 -6.693 -8.805 1.00 0.00 O ATOM 1105 CB ASN A 69 13.779 -4.030 -7.216 1.00 0.00 C ATOM 1106 CG ASN A 69 13.000 -2.943 -6.500 1.00 0.00 C ATOM 1107 OD1 ASN A 69 12.038 -2.395 -7.040 1.00 0.00 O ATOM 1108 ND2 ASN A 69 13.413 -2.625 -5.279 1.00 0.00 N ATOM 0 H ASN A 69 12.726 -4.901 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 69 12.221 -5.358 -7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.763 -4.131 -6.757 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.940 -3.735 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.928 -1.901 -4.749 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.215 -3.105 -4.871 1.00 0.00 H new ATOM 1115 N THR A 70 14.572 -7.201 -6.636 1.00 0.00 N ATOM 1116 CA THR A 70 15.503 -8.286 -6.915 1.00 0.00 C ATOM 1117 C THR A 70 14.786 -9.481 -7.533 1.00 0.00 C ATOM 1118 O THR A 70 13.625 -9.750 -7.223 1.00 0.00 O ATOM 1119 CB THR A 70 16.232 -8.744 -5.637 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.015 -7.668 -5.108 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.129 -9.938 -5.924 1.00 0.00 C ATOM 0 H THR A 70 14.390 -7.046 -5.644 1.00 0.00 H new ATOM 0 HA THR A 70 16.235 -7.899 -7.623 1.00 0.00 H new ATOM 0 HB THR A 70 15.482 -9.042 -4.904 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.595 -8.006 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.633 -10.243 -5.007 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.526 -10.765 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.872 -9.663 -6.672 1.00 0.00 H new ATOM 1129 N LYS A 71 15.484 -10.197 -8.408 1.00 0.00 N ATOM 1130 CA LYS A 71 14.914 -11.365 -9.068 1.00 0.00 C ATOM 1131 C LYS A 71 15.311 -12.647 -8.343 1.00 0.00 C ATOM 1132 O LYS A 71 16.434 -12.773 -7.854 1.00 0.00 O ATOM 1133 CB LYS A 71 15.376 -11.428 -10.526 1.00 0.00 C ATOM 1134 CG LYS A 71 16.886 -11.450 -10.686 1.00 0.00 C ATOM 1135 CD LYS A 71 17.443 -10.056 -10.922 1.00 0.00 C ATOM 1136 CE LYS A 71 17.539 -9.739 -12.407 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.733 -10.372 -13.033 1.00 0.00 N ATOM 0 H LYS A 71 16.446 -9.989 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 71 13.828 -11.274 -9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.957 -12.319 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.975 -10.568 -11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.341 -11.878 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.155 -12.096 -11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.805 -9.320 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.430 -9.975 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.637 -10.086 -12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.586 -8.659 -12.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.763 -10.132 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.595 -10.022 -12.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.676 -11.405 -12.923 1.00 0.00 H new ATOM 1151 N ILE A 72 14.383 -13.597 -8.279 1.00 0.00 N ATOM 1152 CA ILE A 72 14.638 -14.869 -7.616 1.00 0.00 C ATOM 1153 C ILE A 72 14.578 -16.027 -8.607 1.00 0.00 C ATOM 1154 O ILE A 72 13.952 -15.923 -9.661 1.00 0.00 O ATOM 1155 CB ILE A 72 13.627 -15.126 -6.482 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.666 -13.943 -6.349 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.355 -15.375 -5.170 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.719 -14.063 -5.176 1.00 0.00 C ATOM 0 H ILE A 72 13.449 -13.509 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 72 15.640 -14.808 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 72 13.046 -16.015 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.245 -13.025 -6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.085 -13.852 -7.267 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.627 -15.555 -4.379 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.002 -16.246 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.958 -14.503 -4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.068 -13.190 -5.144 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.114 -14.963 -5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.292 -14.123 -4.251 1.00 0.00 H new ATOM 1170 N MET A 73 15.232 -17.130 -8.259 1.00 0.00 N ATOM 1171 CA MET A 73 15.251 -18.310 -9.117 1.00 0.00 C ATOM 1172 C MET A 73 14.367 -19.413 -8.544 1.00 0.00 C ATOM 1173 O MET A 73 14.327 -19.622 -7.332 1.00 0.00 O ATOM 1174 CB MET A 73 16.682 -18.822 -9.285 1.00 0.00 C ATOM 1175 CG MET A 73 17.469 -18.087 -10.358 1.00 0.00 C ATOM 1176 SD MET A 73 19.172 -18.666 -10.490 1.00 0.00 S ATOM 1177 CE MET A 73 20.030 -17.411 -9.544 1.00 0.00 C ATOM 0 H MET A 73 15.756 -17.232 -7.390 1.00 0.00 H new ATOM 0 HA MET A 73 14.859 -18.025 -10.093 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.206 -18.729 -8.334 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.653 -19.884 -9.531 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.971 -18.213 -11.319 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.468 -17.020 -10.137 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.098 -17.630 -9.533 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.865 -16.435 -10.000 1.00 0.00 H new ATOM 0 HE3 MET A 73 19.651 -17.403 -8.522 1.00 0.00 H new ATOM 1187 N MET A 74 13.661 -20.116 -9.423 1.00 0.00 N ATOM 1188 CA MET A 74 12.779 -21.199 -9.003 1.00 0.00 C ATOM 1189 C MET A 74 13.416 -22.557 -9.279 1.00 0.00 C ATOM 1190 O MET A 74 13.714 -22.892 -10.425 1.00 0.00 O ATOM 1191 CB MET A 74 11.433 -21.098 -9.724 1.00 0.00 C ATOM 1192 CG MET A 74 10.409 -20.253 -8.984 1.00 0.00 C ATOM 1193 SD MET A 74 8.711 -20.726 -9.367 1.00 0.00 S ATOM 1194 CE MET A 74 8.825 -20.992 -11.135 1.00 0.00 C ATOM 0 H MET A 74 13.682 -19.956 -10.430 1.00 0.00 H new ATOM 0 HA MET A 74 12.616 -21.106 -7.929 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.592 -20.675 -10.716 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.030 -22.101 -9.866 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.575 -20.346 -7.911 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.556 -19.204 -9.240 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.826 -21.134 -11.547 1.00 0.00 H new ATOM 0 HE2 MET A 74 9.291 -20.126 -11.604 1.00 0.00 H new ATOM 0 HE3 MET A 74 9.427 -21.879 -11.331 1.00 0.00 H new ATOM 1204 N MET A 75 13.622 -23.334 -8.221 1.00 0.00 N ATOM 1205 CA MET A 75 14.224 -24.657 -8.350 1.00 0.00 C ATOM 1206 C MET A 75 13.193 -25.750 -8.089 1.00 0.00 C ATOM 1207 O MET A 75 12.737 -25.931 -6.961 1.00 0.00 O ATOM 1208 CB MET A 75 15.397 -24.804 -7.380 1.00 0.00 C ATOM 1209 CG MET A 75 16.334 -23.607 -7.373 1.00 0.00 C ATOM 1210 SD MET A 75 18.072 -24.084 -7.347 1.00 0.00 S ATOM 1211 CE MET A 75 18.128 -25.077 -5.857 1.00 0.00 C ATOM 0 H MET A 75 13.381 -23.071 -7.265 1.00 0.00 H new ATOM 0 HA MET A 75 14.591 -24.764 -9.371 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.008 -24.956 -6.373 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.964 -25.697 -7.641 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.142 -22.996 -8.255 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.119 -22.987 -6.503 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.165 -25.298 -5.606 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.665 -24.529 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 75 17.588 -26.010 -6.021 1.00 0.00 H new ATOM 1221 N GLY A 76 12.829 -26.478 -9.141 1.00 0.00 N ATOM 1222 CA GLY A 76 11.854 -27.544 -9.004 1.00 0.00 C ATOM 1223 C GLY A 76 11.260 -27.961 -10.335 1.00 0.00 C ATOM 1224 O GLY A 76 11.915 -27.867 -11.373 1.00 0.00 O ATOM 0 H GLY A 76 13.192 -26.348 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.327 -28.407 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.054 -27.218 -8.339 1.00 0.00 H new ATOM 1228 N THR A 77 10.014 -28.425 -10.305 1.00 0.00 N ATOM 1229 CA THR A 77 9.332 -28.861 -11.518 1.00 0.00 C ATOM 1230 C THR A 77 7.894 -28.356 -11.551 1.00 0.00 C ATOM 1231 O THR A 77 7.322 -28.014 -10.515 1.00 0.00 O ATOM 1232 CB THR A 77 9.328 -30.396 -11.639 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.039 -30.780 -12.988 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.301 -31.011 -10.700 1.00 0.00 C ATOM 0 H THR A 77 9.457 -28.508 -9.455 1.00 0.00 H new ATOM 0 HA THR A 77 9.882 -28.439 -12.359 1.00 0.00 H new ATOM 0 HB THR A 77 10.316 -30.763 -11.361 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.040 -31.758 -13.057 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.317 -32.096 -10.804 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.541 -30.741 -9.672 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.308 -30.637 -10.951 1.00 0.00 H new