USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 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 14 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.34) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0.844 (180deg=0.795) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.0978 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.418 K(o=-0.42,f=-4.2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 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 59 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 62 LYS NZ :NH3+ -104:sc= -0.113 (180deg=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 70 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.1) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 72 SER OG : rot 92:sc= 0.0293 USER MOD Single : A 79 GLN : amide:sc= -0.289 K(o=-0.29,f=-4.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl -148:sc= -0.191 (180deg=-1.01) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 179:sc= 0.0705 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N HIS A 14 0.527 -0.720 -6.823 1.00 73.44 N ATOM 28 CA HIS A 14 1.370 -1.195 -7.915 1.00 33.21 C ATOM 29 C HIS A 14 0.580 -1.271 -9.218 1.00 71.10 C ATOM 30 O HIS A 14 -0.491 -1.876 -9.271 1.00 3.34 O ATOM 31 CB HIS A 14 1.952 -2.568 -7.577 1.00 43.04 C ATOM 32 CG HIS A 14 0.915 -3.588 -7.223 1.00 32.21 C ATOM 33 ND1 HIS A 14 0.354 -4.444 -8.147 1.00 60.04 N ATOM 34 CD2 HIS A 14 0.338 -3.889 -6.036 1.00 14.51 C ATOM 35 CE1 HIS A 14 -0.524 -5.225 -7.545 1.00 34.32 C ATOM 36 NE2 HIS A 14 -0.553 -4.909 -6.263 1.00 11.22 N ATOM 0 HA HIS A 14 2.186 -0.485 -8.047 1.00 33.21 H new ATOM 0 HB2 HIS A 14 2.528 -2.929 -8.429 1.00 43.04 H new ATOM 0 HB3 HIS A 14 2.646 -2.464 -6.743 1.00 43.04 H new ATOM 0 HD2 HIS A 14 0.541 -3.415 -5.087 1.00 14.51 H new ATOM 0 HE1 HIS A 14 -1.118 -5.992 -8.020 1.00 34.32 H new ATOM 0 HE2 HIS A 14 -1.141 -5.351 -5.557 1.00 11.22 H new ATOM 44 N GLN A 15 1.115 -0.653 -10.266 1.00 25.22 N ATOM 45 CA GLN A 15 0.459 -0.650 -11.568 1.00 21.11 C ATOM 46 C GLN A 15 1.401 -1.161 -12.653 1.00 52.34 C ATOM 47 O GLN A 15 2.533 -0.692 -12.780 1.00 32.33 O ATOM 48 CB GLN A 15 -0.023 0.759 -11.916 1.00 53.10 C ATOM 49 CG GLN A 15 1.056 1.821 -11.786 1.00 3.34 C ATOM 50 CD GLN A 15 0.804 2.772 -10.632 1.00 33.53 C ATOM 51 OE1 GLN A 15 0.431 2.351 -9.536 1.00 60.21 O ATOM 52 NE2 GLN A 15 1.006 4.062 -10.872 1.00 31.22 N ATOM 0 H GLN A 15 2.001 -0.148 -10.239 1.00 25.22 H new ATOM 0 HA GLN A 15 -0.401 -1.318 -11.515 1.00 21.11 H new ATOM 0 HB2 GLN A 15 -0.403 0.762 -12.938 1.00 53.10 H new ATOM 0 HB3 GLN A 15 -0.858 1.019 -11.265 1.00 53.10 H new ATOM 0 HG2 GLN A 15 2.022 1.336 -11.648 1.00 3.34 H new ATOM 0 HG3 GLN A 15 1.114 2.390 -12.714 1.00 3.34 H new ATOM 0 HE21 GLN A 15 1.315 4.367 -11.795 1.00 31.22 H new ATOM 0 HE22 GLN A 15 0.852 4.748 -10.133 1.00 31.22 H new ATOM 61 N THR A 16 0.926 -2.125 -13.436 1.00 44.12 N ATOM 62 CA THR A 16 1.726 -2.700 -14.510 1.00 62.51 C ATOM 63 C THR A 16 0.850 -3.115 -15.687 1.00 10.14 C ATOM 64 O THR A 16 -0.166 -3.787 -15.510 1.00 54.15 O ATOM 65 CB THR A 16 2.524 -3.925 -14.022 1.00 52.34 C ATOM 66 OG1 THR A 16 3.250 -3.594 -12.833 1.00 71.32 O ATOM 67 CG2 THR A 16 3.490 -4.404 -15.096 1.00 15.14 C ATOM 0 H THR A 16 -0.009 -2.524 -13.346 1.00 44.12 H new ATOM 0 HA THR A 16 2.423 -1.927 -14.834 1.00 62.51 H new ATOM 0 HB THR A 16 1.819 -4.728 -13.805 1.00 52.34 H new ATOM 0 HG1 THR A 16 3.753 -4.378 -12.528 1.00 71.32 H new ATOM 0 HG21 THR A 16 4.042 -5.269 -14.729 1.00 15.14 H new ATOM 0 HG22 THR A 16 2.932 -4.682 -15.990 1.00 15.14 H new ATOM 0 HG23 THR A 16 4.189 -3.604 -15.339 1.00 15.14 H new ATOM 75 N VAL A 17 1.250 -2.711 -16.888 1.00 3.50 N ATOM 76 CA VAL A 17 0.502 -3.042 -18.095 1.00 0.33 C ATOM 77 C VAL A 17 1.326 -3.922 -19.028 1.00 34.54 C ATOM 78 O VAL A 17 2.552 -3.820 -19.073 1.00 73.23 O ATOM 79 CB VAL A 17 0.070 -1.773 -18.853 1.00 51.32 C ATOM 80 CG1 VAL A 17 -0.858 -2.129 -20.004 1.00 54.44 C ATOM 81 CG2 VAL A 17 -0.596 -0.787 -17.905 1.00 54.04 C ATOM 0 H VAL A 17 2.088 -2.154 -17.051 1.00 3.50 H new ATOM 0 HA VAL A 17 -0.387 -3.587 -17.777 1.00 0.33 H new ATOM 0 HB VAL A 17 0.959 -1.298 -19.268 1.00 51.32 H new ATOM 0 HG11 VAL A 17 -1.153 -1.220 -20.528 1.00 54.44 H new ATOM 0 HG12 VAL A 17 -0.341 -2.795 -20.695 1.00 54.44 H new ATOM 0 HG13 VAL A 17 -1.746 -2.628 -19.615 1.00 54.44 H new ATOM 0 HG21 VAL A 17 -0.895 0.104 -18.458 1.00 54.04 H new ATOM 0 HG22 VAL A 17 -1.476 -1.249 -17.459 1.00 54.04 H new ATOM 0 HG23 VAL A 17 0.105 -0.508 -17.119 1.00 54.04 H new ATOM 91 N TYR A 18 0.644 -4.787 -19.770 1.00 71.25 N ATOM 92 CA TYR A 18 1.312 -5.688 -20.702 1.00 24.11 C ATOM 93 C TYR A 18 0.993 -5.314 -22.146 1.00 34.10 C ATOM 94 O TYR A 18 -0.167 -5.109 -22.505 1.00 31.44 O ATOM 95 CB TYR A 18 0.894 -7.135 -20.434 1.00 5.25 C ATOM 96 CG TYR A 18 1.053 -7.553 -18.989 1.00 41.02 C ATOM 97 CD1 TYR A 18 2.211 -8.185 -18.552 1.00 10.53 C ATOM 98 CD2 TYR A 18 0.045 -7.318 -18.062 1.00 43.53 C ATOM 99 CE1 TYR A 18 2.360 -8.569 -17.233 1.00 63.12 C ATOM 100 CE2 TYR A 18 0.187 -7.697 -16.742 1.00 35.24 C ATOM 101 CZ TYR A 18 1.346 -8.323 -16.332 1.00 15.30 C ATOM 102 OH TYR A 18 1.489 -8.704 -15.018 1.00 4.25 O ATOM 0 H TYR A 18 -0.371 -4.884 -19.744 1.00 71.25 H new ATOM 0 HA TYR A 18 2.387 -5.593 -20.551 1.00 24.11 H new ATOM 0 HB2 TYR A 18 -0.148 -7.264 -20.728 1.00 5.25 H new ATOM 0 HB3 TYR A 18 1.488 -7.798 -21.063 1.00 5.25 H new ATOM 0 HD1 TYR A 18 3.008 -8.379 -19.255 1.00 10.53 H new ATOM 0 HD2 TYR A 18 -0.865 -6.831 -18.379 1.00 43.53 H new ATOM 0 HE1 TYR A 18 3.266 -9.059 -16.910 1.00 63.12 H new ATOM 0 HE2 TYR A 18 -0.605 -7.504 -16.034 1.00 35.24 H new ATOM 0 HH TYR A 18 0.684 -8.456 -14.516 1.00 4.25 H new ATOM 112 N VAL A 19 2.031 -5.227 -22.972 1.00 32.34 N ATOM 113 CA VAL A 19 1.862 -4.880 -24.378 1.00 5.04 C ATOM 114 C VAL A 19 2.663 -5.818 -25.275 1.00 14.51 C ATOM 115 O VAL A 19 3.752 -6.262 -24.913 1.00 62.10 O ATOM 116 CB VAL A 19 2.297 -3.428 -24.653 1.00 63.31 C ATOM 117 CG1 VAL A 19 2.071 -3.071 -26.114 1.00 62.12 C ATOM 118 CG2 VAL A 19 1.553 -2.467 -23.739 1.00 55.02 C ATOM 0 H VAL A 19 2.998 -5.392 -22.692 1.00 32.34 H new ATOM 0 HA VAL A 19 0.801 -4.983 -24.605 1.00 5.04 H new ATOM 0 HB VAL A 19 3.363 -3.340 -24.443 1.00 63.31 H new ATOM 0 HG11 VAL A 19 2.384 -2.042 -26.290 1.00 62.12 H new ATOM 0 HG12 VAL A 19 2.654 -3.740 -26.747 1.00 62.12 H new ATOM 0 HG13 VAL A 19 1.013 -3.175 -26.354 1.00 62.12 H new ATOM 0 HG21 VAL A 19 1.873 -1.446 -23.947 1.00 55.02 H new ATOM 0 HG22 VAL A 19 0.481 -2.554 -23.915 1.00 55.02 H new ATOM 0 HG23 VAL A 19 1.771 -2.711 -22.699 1.00 55.02 H new ATOM 128 N LYS A 20 2.115 -6.115 -26.449 1.00 10.35 N ATOM 129 CA LYS A 20 2.777 -6.998 -27.401 1.00 23.34 C ATOM 130 C LYS A 20 4.212 -6.547 -27.655 1.00 0.03 C ATOM 131 O LYS A 20 4.566 -5.384 -27.460 1.00 50.12 O ATOM 132 CB LYS A 20 2.002 -7.034 -28.719 1.00 74.23 C ATOM 133 CG LYS A 20 1.554 -5.664 -29.199 1.00 62.43 C ATOM 134 CD LYS A 20 1.416 -5.621 -30.712 1.00 5.01 C ATOM 135 CE LYS A 20 2.655 -5.030 -31.368 1.00 22.24 C ATOM 136 NZ LYS A 20 2.501 -3.573 -31.633 1.00 0.15 N ATOM 0 H LYS A 20 1.213 -5.756 -26.764 1.00 10.35 H new ATOM 0 HA LYS A 20 2.800 -8.000 -26.973 1.00 23.34 H new ATOM 0 HB2 LYS A 20 2.627 -7.492 -29.486 1.00 74.23 H new ATOM 0 HB3 LYS A 20 1.126 -7.672 -28.599 1.00 74.23 H new ATOM 0 HG2 LYS A 20 0.599 -5.410 -28.738 1.00 62.43 H new ATOM 0 HG3 LYS A 20 2.274 -4.911 -28.877 1.00 62.43 H new ATOM 0 HD2 LYS A 20 1.247 -6.629 -31.092 1.00 5.01 H new ATOM 0 HD3 LYS A 20 0.542 -5.028 -30.982 1.00 5.01 H new ATOM 0 HE2 LYS A 20 3.519 -5.193 -30.724 1.00 22.24 H new ATOM 0 HE3 LYS A 20 2.853 -5.551 -32.305 1.00 22.24 H new ATOM 0 HZ1 LYS A 20 3.322 -3.229 -32.171 1.00 0.15 H new ATOM 0 HZ2 LYS A 20 1.634 -3.410 -32.184 1.00 0.15 H new ATOM 0 HZ3 LYS A 20 2.439 -3.061 -30.730 1.00 0.15 H new ATOM 150 N PRO A 21 5.059 -7.487 -28.101 1.00 53.30 N ATOM 151 CA PRO A 21 6.468 -7.208 -28.393 1.00 71.13 C ATOM 152 C PRO A 21 6.641 -6.327 -29.626 1.00 21.22 C ATOM 153 O PRO A 21 5.706 -6.139 -30.404 1.00 35.54 O ATOM 154 CB PRO A 21 7.060 -8.598 -28.642 1.00 0.34 C ATOM 155 CG PRO A 21 5.906 -9.427 -29.087 1.00 34.31 C ATOM 156 CD PRO A 21 4.705 -8.893 -28.355 1.00 63.43 C ATOM 0 HA PRO A 21 6.952 -6.662 -27.583 1.00 71.13 H new ATOM 0 HB2 PRO A 21 7.840 -8.565 -29.402 1.00 0.34 H new ATOM 0 HB3 PRO A 21 7.513 -9.003 -27.737 1.00 0.34 H new ATOM 0 HG2 PRO A 21 5.768 -9.357 -30.166 1.00 34.31 H new ATOM 0 HG3 PRO A 21 6.069 -10.479 -28.854 1.00 34.31 H new ATOM 0 HD2 PRO A 21 3.799 -8.977 -28.954 1.00 63.43 H new ATOM 0 HD3 PRO A 21 4.525 -9.436 -27.427 1.00 63.43 H new ATOM 164 N VAL A 22 7.844 -5.789 -29.799 1.00 23.14 N ATOM 165 CA VAL A 22 8.141 -4.929 -30.938 1.00 54.00 C ATOM 166 C VAL A 22 9.060 -5.630 -31.932 1.00 31.34 C ATOM 167 O VAL A 22 9.810 -6.543 -31.584 1.00 40.41 O ATOM 168 CB VAL A 22 8.798 -3.610 -30.490 1.00 30.23 C ATOM 169 CG1 VAL A 22 7.764 -2.681 -29.871 1.00 63.25 C ATOM 170 CG2 VAL A 22 9.931 -3.885 -29.513 1.00 64.41 C ATOM 0 H VAL A 22 8.629 -5.934 -29.164 1.00 23.14 H new ATOM 0 HA VAL A 22 7.190 -4.706 -31.422 1.00 54.00 H new ATOM 0 HB VAL A 22 9.216 -3.116 -31.367 1.00 30.23 H new ATOM 0 HG11 VAL A 22 8.247 -1.754 -29.561 1.00 63.25 H new ATOM 0 HG12 VAL A 22 6.989 -2.458 -30.605 1.00 63.25 H new ATOM 0 HG13 VAL A 22 7.314 -3.164 -29.004 1.00 63.25 H new ATOM 0 HG21 VAL A 22 10.384 -2.942 -29.207 1.00 64.41 H new ATOM 0 HG22 VAL A 22 9.539 -4.401 -28.637 1.00 64.41 H new ATOM 0 HG23 VAL A 22 10.683 -4.510 -29.995 1.00 64.41 H new ATOM 180 N PRO A 23 9.003 -5.196 -33.199 1.00 53.52 N ATOM 181 CA PRO A 23 9.825 -5.767 -34.270 1.00 34.20 C ATOM 182 C PRO A 23 11.302 -5.421 -34.115 1.00 35.23 C ATOM 183 O PRO A 23 11.682 -4.563 -33.319 1.00 4.35 O ATOM 184 CB PRO A 23 9.255 -5.123 -35.537 1.00 31.55 C ATOM 185 CG PRO A 23 8.648 -3.845 -35.071 1.00 52.05 C ATOM 186 CD PRO A 23 8.132 -4.112 -33.685 1.00 13.04 C ATOM 0 HA PRO A 23 9.788 -6.856 -34.275 1.00 34.20 H new ATOM 0 HB2 PRO A 23 10.036 -4.944 -36.276 1.00 31.55 H new ATOM 0 HB3 PRO A 23 8.512 -5.766 -36.008 1.00 31.55 H new ATOM 0 HG2 PRO A 23 9.385 -3.042 -35.065 1.00 52.05 H new ATOM 0 HG3 PRO A 23 7.841 -3.532 -35.734 1.00 52.05 H new ATOM 0 HD2 PRO A 23 8.202 -3.227 -33.053 1.00 13.04 H new ATOM 0 HD3 PRO A 23 7.085 -4.413 -33.697 1.00 13.04 H new ATOM 194 N PRO A 24 12.155 -6.103 -34.893 1.00 30.43 N ATOM 195 CA PRO A 24 13.604 -5.884 -34.860 1.00 60.21 C ATOM 196 C PRO A 24 13.999 -4.532 -35.444 1.00 61.11 C ATOM 197 O PRO A 24 15.101 -4.037 -35.203 1.00 72.40 O ATOM 198 CB PRO A 24 14.154 -7.021 -35.724 1.00 64.44 C ATOM 199 CG PRO A 24 13.036 -7.374 -36.643 1.00 60.12 C ATOM 200 CD PRO A 24 11.771 -7.141 -35.864 1.00 40.05 C ATOM 0 HA PRO A 24 13.992 -5.878 -33.842 1.00 60.21 H new ATOM 0 HB2 PRO A 24 15.037 -6.705 -36.279 1.00 64.44 H new ATOM 0 HB3 PRO A 24 14.449 -7.875 -35.114 1.00 64.44 H new ATOM 0 HG2 PRO A 24 13.060 -6.758 -37.542 1.00 60.12 H new ATOM 0 HG3 PRO A 24 13.110 -8.412 -36.966 1.00 60.12 H new ATOM 0 HD2 PRO A 24 10.958 -6.807 -36.509 1.00 40.05 H new ATOM 0 HD3 PRO A 24 11.432 -8.050 -35.367 1.00 40.05 H new ATOM 208 N THR A 25 13.093 -3.937 -36.214 1.00 33.34 N ATOM 209 CA THR A 25 13.347 -2.643 -36.833 1.00 12.43 C ATOM 210 C THR A 25 13.055 -1.503 -35.863 1.00 40.13 C ATOM 211 O THR A 25 13.789 -0.517 -35.811 1.00 3.12 O ATOM 212 CB THR A 25 12.497 -2.451 -38.103 1.00 43.02 C ATOM 213 OG1 THR A 25 12.593 -3.612 -38.936 1.00 42.44 O ATOM 214 CG2 THR A 25 12.953 -1.224 -38.879 1.00 62.41 C ATOM 0 H THR A 25 12.176 -4.332 -36.424 1.00 33.34 H new ATOM 0 HA THR A 25 14.402 -2.624 -37.105 1.00 12.43 H new ATOM 0 HB THR A 25 11.460 -2.305 -37.801 1.00 43.02 H new ATOM 0 HG1 THR A 25 12.049 -3.483 -39.741 1.00 42.44 H new ATOM 0 HG21 THR A 25 12.338 -1.109 -39.772 1.00 62.41 H new ATOM 0 HG22 THR A 25 12.852 -0.338 -38.252 1.00 62.41 H new ATOM 0 HG23 THR A 25 13.996 -1.345 -39.170 1.00 62.41 H new ATOM 222 N ALA A 26 11.979 -1.645 -35.097 1.00 32.33 N ATOM 223 CA ALA A 26 11.592 -0.628 -34.127 1.00 31.32 C ATOM 224 C ALA A 26 12.712 -0.371 -33.125 1.00 21.14 C ATOM 225 O ALA A 26 13.008 -1.215 -32.277 1.00 51.44 O ATOM 226 CB ALA A 26 10.320 -1.045 -33.404 1.00 32.53 C ATOM 0 H ALA A 26 11.359 -2.455 -35.129 1.00 32.33 H new ATOM 0 HA ALA A 26 11.403 0.300 -34.667 1.00 31.32 H new ATOM 0 HB1 ALA A 26 10.043 -0.276 -32.683 1.00 32.53 H new ATOM 0 HB2 ALA A 26 9.515 -1.171 -34.128 1.00 32.53 H new ATOM 0 HB3 ALA A 26 10.490 -1.987 -32.883 1.00 32.53 H new ATOM 232 N THR A 27 13.334 0.800 -33.227 1.00 31.45 N ATOM 233 CA THR A 27 14.423 1.167 -32.331 1.00 0.15 C ATOM 234 C THR A 27 13.891 1.797 -31.048 1.00 63.32 C ATOM 235 O THR A 27 12.688 2.017 -30.905 1.00 72.11 O ATOM 236 CB THR A 27 15.398 2.150 -33.005 1.00 64.24 C ATOM 237 OG1 THR A 27 14.760 3.416 -33.202 1.00 1.54 O ATOM 238 CG2 THR A 27 15.877 1.605 -34.343 1.00 31.24 C ATOM 0 H THR A 27 13.102 1.510 -33.921 1.00 31.45 H new ATOM 0 HA THR A 27 14.955 0.247 -32.088 1.00 0.15 H new ATOM 0 HB THR A 27 16.261 2.276 -32.351 1.00 64.24 H new ATOM 0 HG1 THR A 27 15.388 4.036 -33.629 1.00 1.54 H new ATOM 0 HG21 THR A 27 16.565 2.316 -34.801 1.00 31.24 H new ATOM 0 HG22 THR A 27 16.388 0.655 -34.187 1.00 31.24 H new ATOM 0 HG23 THR A 27 15.022 1.453 -35.001 1.00 31.24 H new ATOM 246 N LEU A 28 14.794 2.085 -30.118 1.00 5.52 N ATOM 247 CA LEU A 28 14.416 2.692 -28.846 1.00 30.50 C ATOM 248 C LEU A 28 13.972 4.138 -29.042 1.00 64.45 C ATOM 249 O LEU A 28 13.004 4.588 -28.432 1.00 34.42 O ATOM 250 CB LEU A 28 15.586 2.634 -27.863 1.00 5.22 C ATOM 251 CG LEU A 28 15.218 2.444 -26.391 1.00 61.20 C ATOM 252 CD1 LEU A 28 16.469 2.247 -25.549 1.00 0.42 C ATOM 253 CD2 LEU A 28 14.413 3.632 -25.885 1.00 21.23 C ATOM 0 H LEU A 28 15.793 1.908 -30.220 1.00 5.52 H new ATOM 0 HA LEU A 28 13.578 2.127 -28.437 1.00 30.50 H new ATOM 0 HB2 LEU A 28 16.244 1.818 -28.160 1.00 5.22 H new ATOM 0 HB3 LEU A 28 16.160 3.556 -27.957 1.00 5.22 H new ATOM 0 HG LEU A 28 14.602 1.549 -26.303 1.00 61.20 H new ATOM 0 HD11 LEU A 28 16.187 2.113 -24.505 1.00 0.42 H new ATOM 0 HD12 LEU A 28 17.006 1.364 -25.896 1.00 0.42 H new ATOM 0 HD13 LEU A 28 17.112 3.122 -25.642 1.00 0.42 H new ATOM 0 HD21 LEU A 28 14.160 3.480 -24.836 1.00 21.23 H new ATOM 0 HD22 LEU A 28 15.004 4.542 -25.987 1.00 21.23 H new ATOM 0 HD23 LEU A 28 13.498 3.726 -26.469 1.00 21.23 H new ATOM 265 N GLU A 29 14.687 4.859 -29.900 1.00 42.22 N ATOM 266 CA GLU A 29 14.365 6.254 -30.178 1.00 5.12 C ATOM 267 C GLU A 29 12.998 6.375 -30.844 1.00 31.11 C ATOM 268 O GLU A 29 12.224 7.280 -30.534 1.00 51.34 O ATOM 269 CB GLU A 29 15.438 6.880 -31.072 1.00 73.34 C ATOM 270 CG GLU A 29 15.492 8.396 -30.988 1.00 72.24 C ATOM 271 CD GLU A 29 16.614 8.986 -31.819 1.00 45.41 C ATOM 272 OE1 GLU A 29 17.650 8.307 -31.985 1.00 15.43 O ATOM 273 OE2 GLU A 29 16.459 10.127 -32.303 1.00 74.21 O ATOM 0 H GLU A 29 15.492 4.501 -30.414 1.00 42.22 H new ATOM 0 HA GLU A 29 14.336 6.789 -29.229 1.00 5.12 H new ATOM 0 HB2 GLU A 29 16.411 6.474 -30.795 1.00 73.34 H new ATOM 0 HB3 GLU A 29 15.253 6.588 -32.106 1.00 73.34 H new ATOM 0 HG2 GLU A 29 14.541 8.809 -31.323 1.00 72.24 H new ATOM 0 HG3 GLU A 29 15.620 8.694 -29.947 1.00 72.24 H new ATOM 280 N GLN A 30 12.709 5.456 -31.760 1.00 1.03 N ATOM 281 CA GLN A 30 11.436 5.460 -32.470 1.00 51.35 C ATOM 282 C GLN A 30 10.283 5.140 -31.524 1.00 43.34 C ATOM 283 O GLN A 30 9.221 5.760 -31.591 1.00 51.14 O ATOM 284 CB GLN A 30 11.465 4.450 -33.618 1.00 60.52 C ATOM 285 CG GLN A 30 10.273 4.558 -34.555 1.00 52.20 C ATOM 286 CD GLN A 30 10.071 3.309 -35.390 1.00 51.10 C ATOM 287 OE1 GLN A 30 9.600 2.286 -34.893 1.00 70.30 O ATOM 288 NE2 GLN A 30 10.427 3.386 -36.667 1.00 12.40 N ATOM 0 H GLN A 30 13.339 4.700 -32.027 1.00 1.03 H new ATOM 0 HA GLN A 30 11.280 6.459 -32.878 1.00 51.35 H new ATOM 0 HB2 GLN A 30 12.381 4.591 -34.192 1.00 60.52 H new ATOM 0 HB3 GLN A 30 11.500 3.443 -33.203 1.00 60.52 H new ATOM 0 HG2 GLN A 30 9.373 4.749 -33.971 1.00 52.20 H new ATOM 0 HG3 GLN A 30 10.412 5.414 -35.216 1.00 52.20 H new ATOM 0 HE21 GLN A 30 10.813 4.254 -37.037 1.00 12.40 H new ATOM 0 HE22 GLN A 30 10.314 2.577 -37.278 1.00 12.40 H new ATOM 297 N LEU A 31 10.499 4.169 -30.644 1.00 44.31 N ATOM 298 CA LEU A 31 9.478 3.766 -29.684 1.00 0.14 C ATOM 299 C LEU A 31 9.124 4.918 -28.749 1.00 3.51 C ATOM 300 O LEU A 31 7.952 5.249 -28.568 1.00 32.41 O ATOM 301 CB LEU A 31 9.961 2.564 -28.870 1.00 2.31 C ATOM 302 CG LEU A 31 9.214 1.251 -29.105 1.00 23.24 C ATOM 303 CD1 LEU A 31 9.991 0.083 -28.516 1.00 75.13 C ATOM 304 CD2 LEU A 31 7.816 1.319 -28.508 1.00 72.43 C ATOM 0 H LEU A 31 11.372 3.646 -30.575 1.00 44.31 H new ATOM 0 HA LEU A 31 8.583 3.485 -30.240 1.00 0.14 H new ATOM 0 HB2 LEU A 31 11.016 2.403 -29.089 1.00 2.31 H new ATOM 0 HB3 LEU A 31 9.890 2.815 -27.812 1.00 2.31 H new ATOM 0 HG LEU A 31 9.121 1.095 -30.180 1.00 23.24 H new ATOM 0 HD11 LEU A 31 9.445 -0.843 -28.692 1.00 75.13 H new ATOM 0 HD12 LEU A 31 10.971 0.022 -28.989 1.00 75.13 H new ATOM 0 HD13 LEU A 31 10.115 0.232 -27.443 1.00 75.13 H new ATOM 0 HD21 LEU A 31 7.299 0.376 -28.685 1.00 72.43 H new ATOM 0 HD22 LEU A 31 7.887 1.499 -27.435 1.00 72.43 H new ATOM 0 HD23 LEU A 31 7.260 2.131 -28.976 1.00 72.43 H new ATOM 316 N THR A 32 10.147 5.530 -28.158 1.00 75.31 N ATOM 317 CA THR A 32 9.944 6.646 -27.243 1.00 63.11 C ATOM 318 C THR A 32 9.276 7.820 -27.948 1.00 53.50 C ATOM 319 O THR A 32 8.353 8.433 -27.412 1.00 41.42 O ATOM 320 CB THR A 32 11.276 7.120 -26.632 1.00 24.43 C ATOM 321 OG1 THR A 32 11.898 6.045 -25.918 1.00 35.30 O ATOM 322 CG2 THR A 32 11.053 8.296 -25.693 1.00 62.05 C ATOM 0 H THR A 32 11.124 5.271 -28.297 1.00 75.31 H new ATOM 0 HA THR A 32 9.294 6.287 -26.445 1.00 63.11 H new ATOM 0 HB THR A 32 11.928 7.442 -27.444 1.00 24.43 H new ATOM 0 HG1 THR A 32 12.272 5.402 -26.556 1.00 35.30 H new ATOM 0 HG21 THR A 32 12.008 8.613 -25.274 1.00 62.05 H new ATOM 0 HG22 THR A 32 10.607 9.123 -26.245 1.00 62.05 H new ATOM 0 HG23 THR A 32 10.384 7.996 -24.886 1.00 62.05 H new ATOM 330 N GLU A 33 9.747 8.128 -29.152 1.00 51.05 N ATOM 331 CA GLU A 33 9.193 9.230 -29.930 1.00 41.30 C ATOM 332 C GLU A 33 7.692 9.049 -30.138 1.00 42.30 C ATOM 333 O GLU A 33 6.895 9.915 -29.775 1.00 61.34 O ATOM 334 CB GLU A 33 9.898 9.333 -31.284 1.00 40.12 C ATOM 335 CG GLU A 33 9.521 10.575 -32.074 1.00 3.43 C ATOM 336 CD GLU A 33 10.551 10.931 -33.128 1.00 44.31 C ATOM 337 OE1 GLU A 33 10.879 10.055 -33.956 1.00 53.52 O ATOM 338 OE2 GLU A 33 11.030 12.084 -33.125 1.00 42.52 O ATOM 0 H GLU A 33 10.511 7.630 -29.610 1.00 51.05 H new ATOM 0 HA GLU A 33 9.356 10.152 -29.373 1.00 41.30 H new ATOM 0 HB2 GLU A 33 10.976 9.328 -31.124 1.00 40.12 H new ATOM 0 HB3 GLU A 33 9.660 8.450 -31.876 1.00 40.12 H new ATOM 0 HG2 GLU A 33 8.555 10.416 -32.554 1.00 3.43 H new ATOM 0 HG3 GLU A 33 9.402 11.415 -31.389 1.00 3.43 H new ATOM 345 N PHE A 34 7.314 7.919 -30.725 1.00 24.50 N ATOM 346 CA PHE A 34 5.910 7.624 -30.983 1.00 72.53 C ATOM 347 C PHE A 34 5.097 7.676 -29.693 1.00 52.11 C ATOM 348 O PHE A 34 3.983 8.200 -29.669 1.00 33.30 O ATOM 349 CB PHE A 34 5.767 6.246 -31.633 1.00 63.33 C ATOM 350 CG PHE A 34 5.403 6.305 -33.089 1.00 74.42 C ATOM 351 CD1 PHE A 34 4.246 6.947 -33.502 1.00 23.22 C ATOM 352 CD2 PHE A 34 6.216 5.717 -34.045 1.00 12.30 C ATOM 353 CE1 PHE A 34 3.908 7.003 -34.841 1.00 12.22 C ATOM 354 CE2 PHE A 34 5.883 5.771 -35.385 1.00 73.23 C ATOM 355 CZ PHE A 34 4.727 6.413 -35.784 1.00 12.44 C ATOM 0 H PHE A 34 7.961 7.192 -31.031 1.00 24.50 H new ATOM 0 HA PHE A 34 5.525 8.382 -31.665 1.00 72.53 H new ATOM 0 HB2 PHE A 34 6.705 5.702 -31.523 1.00 63.33 H new ATOM 0 HB3 PHE A 34 5.005 5.678 -31.099 1.00 63.33 H new ATOM 0 HD1 PHE A 34 3.601 7.409 -32.769 1.00 23.22 H new ATOM 0 HD2 PHE A 34 7.120 5.211 -33.739 1.00 12.30 H new ATOM 0 HE1 PHE A 34 3.004 7.508 -35.150 1.00 12.22 H new ATOM 0 HE2 PHE A 34 6.527 5.311 -36.120 1.00 73.23 H new ATOM 0 HZ PHE A 34 4.464 6.454 -36.831 1.00 12.44 H new ATOM 365 N PHE A 35 5.662 7.129 -28.622 1.00 1.31 N ATOM 366 CA PHE A 35 4.990 7.112 -27.328 1.00 22.12 C ATOM 367 C PHE A 35 4.623 8.526 -26.887 1.00 31.34 C ATOM 368 O PHE A 35 3.461 8.817 -26.604 1.00 52.11 O ATOM 369 CB PHE A 35 5.883 6.453 -26.275 1.00 21.44 C ATOM 370 CG PHE A 35 5.450 5.062 -25.907 1.00 42.20 C ATOM 371 CD1 PHE A 35 4.166 4.821 -25.447 1.00 54.03 C ATOM 372 CD2 PHE A 35 6.328 3.996 -26.021 1.00 1.22 C ATOM 373 CE1 PHE A 35 3.764 3.543 -25.109 1.00 32.44 C ATOM 374 CE2 PHE A 35 5.932 2.716 -25.684 1.00 71.30 C ATOM 375 CZ PHE A 35 4.649 2.489 -25.226 1.00 73.22 C ATOM 0 H PHE A 35 6.583 6.692 -28.625 1.00 1.31 H new ATOM 0 HA PHE A 35 4.072 6.533 -27.431 1.00 22.12 H new ATOM 0 HB2 PHE A 35 6.907 6.420 -26.648 1.00 21.44 H new ATOM 0 HB3 PHE A 35 5.891 7.072 -25.378 1.00 21.44 H new ATOM 0 HD1 PHE A 35 3.471 5.642 -25.351 1.00 54.03 H new ATOM 0 HD2 PHE A 35 7.333 4.168 -26.377 1.00 1.22 H new ATOM 0 HE1 PHE A 35 2.759 3.368 -24.754 1.00 32.44 H new ATOM 0 HE2 PHE A 35 6.625 1.893 -25.779 1.00 71.30 H new ATOM 0 HZ PHE A 35 4.338 1.489 -24.960 1.00 73.22 H new ATOM 385 N SER A 36 5.623 9.400 -26.829 1.00 74.25 N ATOM 386 CA SER A 36 5.407 10.782 -26.419 1.00 13.24 C ATOM 387 C SER A 36 4.358 11.453 -27.300 1.00 52.51 C ATOM 388 O SER A 36 3.576 12.283 -26.834 1.00 63.20 O ATOM 389 CB SER A 36 6.719 11.566 -26.481 1.00 61.10 C ATOM 390 OG SER A 36 7.457 11.421 -25.280 1.00 65.33 O ATOM 0 H SER A 36 6.591 9.175 -27.061 1.00 74.25 H new ATOM 0 HA SER A 36 5.043 10.777 -25.391 1.00 13.24 H new ATOM 0 HB2 SER A 36 7.316 11.216 -27.323 1.00 61.10 H new ATOM 0 HB3 SER A 36 6.508 12.621 -26.657 1.00 61.10 H new ATOM 0 HG SER A 36 8.292 11.930 -25.346 1.00 65.33 H new ATOM 396 N LYS A 37 4.347 11.089 -28.578 1.00 31.23 N ATOM 397 CA LYS A 37 3.395 11.653 -29.527 1.00 34.02 C ATOM 398 C LYS A 37 1.964 11.291 -29.142 1.00 73.43 C ATOM 399 O LYS A 37 1.041 12.085 -29.327 1.00 34.33 O ATOM 400 CB LYS A 37 3.696 11.153 -30.941 1.00 50.04 C ATOM 401 CG LYS A 37 3.312 12.140 -32.030 1.00 45.40 C ATOM 402 CD LYS A 37 3.081 11.442 -33.360 1.00 14.24 C ATOM 403 CE LYS A 37 4.384 11.239 -34.117 1.00 53.12 C ATOM 404 NZ LYS A 37 4.247 11.588 -35.559 1.00 24.54 N ATOM 0 H LYS A 37 4.988 10.405 -28.980 1.00 31.23 H new ATOM 0 HA LYS A 37 3.496 12.738 -29.503 1.00 34.02 H new ATOM 0 HB2 LYS A 37 4.761 10.933 -31.021 1.00 50.04 H new ATOM 0 HB3 LYS A 37 3.164 10.216 -31.107 1.00 50.04 H new ATOM 0 HG2 LYS A 37 2.408 12.673 -31.736 1.00 45.40 H new ATOM 0 HG3 LYS A 37 4.100 12.885 -32.141 1.00 45.40 H new ATOM 0 HD2 LYS A 37 2.605 10.477 -33.188 1.00 14.24 H new ATOM 0 HD3 LYS A 37 2.394 12.032 -33.967 1.00 14.24 H new ATOM 0 HE2 LYS A 37 5.165 11.852 -33.667 1.00 53.12 H new ATOM 0 HE3 LYS A 37 4.701 10.200 -34.023 1.00 53.12 H new ATOM 0 HZ1 LYS A 37 5.156 11.436 -36.041 1.00 24.54 H new ATOM 0 HZ2 LYS A 37 3.520 10.985 -35.994 1.00 24.54 H new ATOM 0 HZ3 LYS A 37 3.969 12.586 -35.650 1.00 24.54 H new ATOM 418 N HIS A 38 1.786 10.087 -28.606 1.00 4.43 N ATOM 419 CA HIS A 38 0.467 9.621 -28.193 1.00 44.10 C ATOM 420 C HIS A 38 0.569 8.717 -26.969 1.00 25.44 C ATOM 421 O HIS A 38 1.111 7.615 -27.042 1.00 64.41 O ATOM 422 CB HIS A 38 -0.214 8.873 -29.339 1.00 62.31 C ATOM 423 CG HIS A 38 -1.708 8.850 -29.236 1.00 2.44 C ATOM 424 ND1 HIS A 38 -2.498 9.945 -29.516 1.00 71.12 N ATOM 425 CD2 HIS A 38 -2.556 7.857 -28.881 1.00 61.33 C ATOM 426 CE1 HIS A 38 -3.768 9.626 -29.337 1.00 45.13 C ATOM 427 NE2 HIS A 38 -3.830 8.364 -28.952 1.00 41.14 N ATOM 0 H HIS A 38 2.539 9.417 -28.448 1.00 4.43 H new ATOM 0 HA HIS A 38 -0.133 10.492 -27.930 1.00 44.10 H new ATOM 0 HB2 HIS A 38 0.070 9.337 -30.284 1.00 62.31 H new ATOM 0 HB3 HIS A 38 0.156 7.848 -29.363 1.00 62.31 H new ATOM 0 HD2 HIS A 38 -2.282 6.852 -28.595 1.00 61.33 H new ATOM 0 HE1 HIS A 38 -4.611 10.285 -29.481 1.00 45.13 H new ATOM 0 HE2 HIS A 38 -4.685 7.850 -28.742 1.00 41.14 H new ATOM 435 N GLY A 39 0.045 9.191 -25.843 1.00 10.04 N ATOM 436 CA GLY A 39 0.088 8.413 -24.618 1.00 64.25 C ATOM 437 C GLY A 39 1.252 8.798 -23.727 1.00 45.34 C ATOM 438 O GLY A 39 2.368 9.009 -24.205 1.00 53.14 O ATOM 0 H GLY A 39 -0.409 10.100 -25.757 1.00 10.04 H new ATOM 0 HA2 GLY A 39 -0.845 8.550 -24.071 1.00 64.25 H new ATOM 0 HA3 GLY A 39 0.159 7.354 -24.866 1.00 64.25 H new ATOM 442 N THR A 40 0.994 8.893 -22.427 1.00 22.03 N ATOM 443 CA THR A 40 2.028 9.259 -21.467 1.00 21.42 C ATOM 444 C THR A 40 2.402 8.074 -20.584 1.00 21.15 C ATOM 445 O THR A 40 1.580 7.576 -19.814 1.00 40.21 O ATOM 446 CB THR A 40 1.576 10.429 -20.573 1.00 30.55 C ATOM 447 OG1 THR A 40 0.911 11.420 -21.363 1.00 14.35 O ATOM 448 CG2 THR A 40 2.765 11.055 -19.859 1.00 35.10 C ATOM 0 H THR A 40 0.077 8.721 -22.014 1.00 22.03 H new ATOM 0 HA THR A 40 2.900 9.568 -22.044 1.00 21.42 H new ATOM 0 HB THR A 40 0.887 10.040 -19.824 1.00 30.55 H new ATOM 0 HG1 THR A 40 0.625 12.160 -20.787 1.00 14.35 H new ATOM 0 HG21 THR A 40 2.421 11.879 -19.234 1.00 35.10 H new ATOM 0 HG22 THR A 40 3.251 10.305 -19.236 1.00 35.10 H new ATOM 0 HG23 THR A 40 3.475 11.430 -20.596 1.00 35.10 H new ATOM 456 N VAL A 41 3.649 7.626 -20.698 1.00 55.24 N ATOM 457 CA VAL A 41 4.132 6.500 -19.908 1.00 42.24 C ATOM 458 C VAL A 41 5.308 6.911 -19.029 1.00 34.14 C ATOM 459 O VAL A 41 6.112 7.762 -19.408 1.00 74.44 O ATOM 460 CB VAL A 41 4.564 5.327 -20.809 1.00 1.44 C ATOM 461 CG1 VAL A 41 3.381 4.803 -21.608 1.00 14.35 C ATOM 462 CG2 VAL A 41 5.695 5.754 -21.733 1.00 32.14 C ATOM 0 H VAL A 41 4.343 8.026 -21.330 1.00 55.24 H new ATOM 0 HA VAL A 41 3.304 6.178 -19.276 1.00 42.24 H new ATOM 0 HB VAL A 41 4.929 4.519 -20.174 1.00 1.44 H new ATOM 0 HG11 VAL A 41 3.706 3.975 -22.238 1.00 14.35 H new ATOM 0 HG12 VAL A 41 2.605 4.457 -20.925 1.00 14.35 H new ATOM 0 HG13 VAL A 41 2.983 5.601 -22.234 1.00 14.35 H new ATOM 0 HG21 VAL A 41 5.988 4.913 -22.362 1.00 32.14 H new ATOM 0 HG22 VAL A 41 5.359 6.579 -22.362 1.00 32.14 H new ATOM 0 HG23 VAL A 41 6.549 6.076 -21.138 1.00 32.14 H new ATOM 472 N GLN A 42 5.401 6.300 -17.852 1.00 14.01 N ATOM 473 CA GLN A 42 6.478 6.603 -16.918 1.00 24.23 C ATOM 474 C GLN A 42 7.773 5.916 -17.339 1.00 62.22 C ATOM 475 O GLN A 42 8.802 6.566 -17.520 1.00 0.33 O ATOM 476 CB GLN A 42 6.093 6.167 -15.503 1.00 20.10 C ATOM 477 CG GLN A 42 6.782 6.969 -14.410 1.00 74.25 C ATOM 478 CD GLN A 42 6.259 6.638 -13.026 1.00 64.23 C ATOM 479 OE1 GLN A 42 5.082 6.843 -12.729 1.00 23.12 O ATOM 480 NE2 GLN A 42 7.134 6.122 -12.171 1.00 5.22 N ATOM 0 H GLN A 42 4.744 5.593 -17.523 1.00 14.01 H new ATOM 0 HA GLN A 42 6.640 7.681 -16.927 1.00 24.23 H new ATOM 0 HB2 GLN A 42 5.013 6.260 -15.384 1.00 20.10 H new ATOM 0 HB3 GLN A 42 6.338 5.112 -15.377 1.00 20.10 H new ATOM 0 HG2 GLN A 42 7.854 6.777 -14.445 1.00 74.25 H new ATOM 0 HG3 GLN A 42 6.642 8.033 -14.602 1.00 74.25 H new ATOM 0 HE21 GLN A 42 8.100 5.969 -12.460 1.00 5.22 H new ATOM 0 HE22 GLN A 42 6.840 5.879 -11.225 1.00 5.22 H new ATOM 489 N ALA A 43 7.714 4.597 -17.494 1.00 4.12 N ATOM 490 CA ALA A 43 8.882 3.822 -17.896 1.00 12.34 C ATOM 491 C ALA A 43 8.470 2.525 -18.583 1.00 54.11 C ATOM 492 O ALA A 43 7.322 2.093 -18.478 1.00 72.43 O ATOM 493 CB ALA A 43 9.760 3.526 -16.689 1.00 13.33 C ATOM 0 H ALA A 43 6.870 4.043 -17.347 1.00 4.12 H new ATOM 0 HA ALA A 43 9.453 4.416 -18.610 1.00 12.34 H new ATOM 0 HB1 ALA A 43 10.628 2.947 -17.004 1.00 13.33 H new ATOM 0 HB2 ALA A 43 10.092 4.463 -16.242 1.00 13.33 H new ATOM 0 HB3 ALA A 43 9.190 2.956 -15.956 1.00 13.33 H new ATOM 499 N VAL A 44 9.413 1.908 -19.288 1.00 2.43 N ATOM 500 CA VAL A 44 9.148 0.660 -19.993 1.00 30.15 C ATOM 501 C VAL A 44 10.371 -0.251 -19.976 1.00 55.22 C ATOM 502 O VAL A 44 11.506 0.216 -20.068 1.00 71.00 O ATOM 503 CB VAL A 44 8.733 0.917 -21.453 1.00 53.32 C ATOM 504 CG1 VAL A 44 9.798 1.726 -22.177 1.00 4.21 C ATOM 505 CG2 VAL A 44 8.470 -0.398 -22.172 1.00 1.44 C ATOM 0 H VAL A 44 10.368 2.253 -19.386 1.00 2.43 H new ATOM 0 HA VAL A 44 8.326 0.170 -19.471 1.00 30.15 H new ATOM 0 HB VAL A 44 7.809 1.496 -21.453 1.00 53.32 H new ATOM 0 HG11 VAL A 44 9.487 1.898 -23.207 1.00 4.21 H new ATOM 0 HG12 VAL A 44 9.932 2.684 -21.674 1.00 4.21 H new ATOM 0 HG13 VAL A 44 10.740 1.177 -22.169 1.00 4.21 H new ATOM 0 HG21 VAL A 44 8.178 -0.197 -23.203 1.00 1.44 H new ATOM 0 HG22 VAL A 44 9.375 -1.005 -22.163 1.00 1.44 H new ATOM 0 HG23 VAL A 44 7.668 -0.935 -21.666 1.00 1.44 H new ATOM 515 N TRP A 45 10.130 -1.552 -19.859 1.00 44.43 N ATOM 516 CA TRP A 45 11.213 -2.529 -19.831 1.00 53.05 C ATOM 517 C TRP A 45 10.682 -3.936 -20.080 1.00 72.42 C ATOM 518 O TRP A 45 9.471 -4.158 -20.101 1.00 20.24 O ATOM 519 CB TRP A 45 11.941 -2.475 -18.488 1.00 24.53 C ATOM 520 CG TRP A 45 13.187 -1.642 -18.520 1.00 15.20 C ATOM 521 CD1 TRP A 45 14.358 -1.942 -19.155 1.00 32.43 C ATOM 522 CD2 TRP A 45 13.384 -0.372 -17.889 1.00 22.02 C ATOM 523 NE1 TRP A 45 15.272 -0.936 -18.956 1.00 52.21 N ATOM 524 CE2 TRP A 45 14.699 0.040 -18.184 1.00 32.53 C ATOM 525 CE3 TRP A 45 12.578 0.458 -17.105 1.00 44.33 C ATOM 526 CZ2 TRP A 45 15.223 1.243 -17.721 1.00 0.43 C ATOM 527 CZ3 TRP A 45 13.100 1.653 -16.646 1.00 63.33 C ATOM 528 CH2 TRP A 45 14.412 2.037 -16.956 1.00 31.35 C ATOM 0 H TRP A 45 9.196 -1.954 -19.782 1.00 44.43 H new ATOM 0 HA TRP A 45 11.915 -2.280 -20.627 1.00 53.05 H new ATOM 0 HB2 TRP A 45 11.265 -2.075 -17.732 1.00 24.53 H new ATOM 0 HB3 TRP A 45 12.198 -3.489 -18.181 1.00 24.53 H new ATOM 0 HD1 TRP A 45 14.539 -2.839 -19.729 1.00 32.43 H new ATOM 0 HE1 TRP A 45 16.223 -0.919 -19.324 1.00 52.21 H new ATOM 0 HE3 TRP A 45 11.566 0.171 -16.862 1.00 44.33 H new ATOM 0 HZ2 TRP A 45 16.234 1.540 -17.957 1.00 0.43 H new ATOM 0 HZ3 TRP A 45 12.487 2.302 -16.038 1.00 63.33 H new ATOM 0 HH2 TRP A 45 14.790 2.978 -16.584 1.00 31.35 H new ATOM 539 N ARG A 46 11.595 -4.884 -20.269 1.00 15.14 N ATOM 540 CA ARG A 46 11.217 -6.270 -20.517 1.00 11.01 C ATOM 541 C ARG A 46 12.350 -7.219 -20.136 1.00 15.33 C ATOM 542 O ARG A 46 13.525 -6.866 -20.229 1.00 25.34 O ATOM 543 CB ARG A 46 10.848 -6.464 -21.989 1.00 31.52 C ATOM 544 CG ARG A 46 11.971 -6.111 -22.950 1.00 52.40 C ATOM 545 CD ARG A 46 11.931 -4.640 -23.337 1.00 34.45 C ATOM 546 NE ARG A 46 11.560 -4.452 -24.737 1.00 22.44 N ATOM 547 CZ ARG A 46 11.531 -3.268 -25.336 1.00 52.54 C ATOM 548 NH1 ARG A 46 11.849 -2.171 -24.662 1.00 33.32 N ATOM 549 NH2 ARG A 46 11.183 -3.178 -26.614 1.00 3.42 N ATOM 0 H ARG A 46 12.601 -4.717 -20.255 1.00 15.14 H new ATOM 0 HA ARG A 46 10.350 -6.501 -19.898 1.00 11.01 H new ATOM 0 HB2 ARG A 46 10.558 -7.503 -22.148 1.00 31.52 H new ATOM 0 HB3 ARG A 46 9.977 -5.851 -22.220 1.00 31.52 H new ATOM 0 HG2 ARG A 46 12.932 -6.341 -22.489 1.00 52.40 H new ATOM 0 HG3 ARG A 46 11.892 -6.726 -23.846 1.00 52.40 H new ATOM 0 HD2 ARG A 46 11.218 -4.117 -22.700 1.00 34.45 H new ATOM 0 HD3 ARG A 46 12.908 -4.191 -23.158 1.00 34.45 H new ATOM 0 HE ARG A 46 11.310 -5.276 -25.284 1.00 22.44 H new ATOM 0 HH11 ARG A 46 12.117 -2.236 -23.680 1.00 33.32 H new ATOM 0 HH12 ARG A 46 11.826 -1.263 -25.126 1.00 33.32 H new ATOM 0 HH21 ARG A 46 10.938 -4.019 -27.136 1.00 3.42 H new ATOM 0 HH22 ARG A 46 11.161 -2.268 -27.074 1.00 3.42 H new ATOM 563 N ARG A 47 11.987 -8.423 -19.706 1.00 55.12 N ATOM 564 CA ARG A 47 12.972 -9.421 -19.309 1.00 72.52 C ATOM 565 C ARG A 47 12.471 -10.830 -19.614 1.00 62.31 C ATOM 566 O ARG A 47 11.271 -11.052 -19.779 1.00 43.51 O ATOM 567 CB ARG A 47 13.288 -9.293 -17.818 1.00 13.40 C ATOM 568 CG ARG A 47 12.174 -9.795 -16.914 1.00 22.32 C ATOM 569 CD ARG A 47 12.124 -9.018 -15.608 1.00 35.34 C ATOM 570 NE ARG A 47 12.065 -9.902 -14.447 1.00 25.53 N ATOM 571 CZ ARG A 47 11.970 -9.467 -13.195 1.00 72.14 C ATOM 572 NH1 ARG A 47 11.921 -8.166 -12.945 1.00 21.14 N ATOM 573 NH2 ARG A 47 11.922 -10.334 -12.192 1.00 10.11 N ATOM 0 H ARG A 47 11.018 -8.731 -19.624 1.00 55.12 H new ATOM 0 HA ARG A 47 13.882 -9.244 -19.882 1.00 72.52 H new ATOM 0 HB2 ARG A 47 14.200 -9.849 -17.600 1.00 13.40 H new ATOM 0 HB3 ARG A 47 13.489 -8.247 -17.586 1.00 13.40 H new ATOM 0 HG2 ARG A 47 11.218 -9.705 -17.429 1.00 22.32 H new ATOM 0 HG3 ARG A 47 12.324 -10.854 -16.703 1.00 22.32 H new ATOM 0 HD2 ARG A 47 13.004 -8.379 -15.533 1.00 35.34 H new ATOM 0 HD3 ARG A 47 11.253 -8.363 -15.609 1.00 35.34 H new ATOM 0 HE ARG A 47 12.099 -10.909 -14.606 1.00 25.53 H new ATOM 0 HH11 ARG A 47 11.956 -7.497 -13.714 1.00 21.14 H new ATOM 0 HH12 ARG A 47 11.848 -7.834 -11.983 1.00 21.14 H new ATOM 0 HH21 ARG A 47 11.958 -11.336 -12.382 1.00 10.11 H new ATOM 0 HH22 ARG A 47 11.849 -9.999 -11.231 1.00 10.11 H new ATOM 587 N TYR A 48 13.398 -11.779 -19.688 1.00 2.31 N ATOM 588 CA TYR A 48 13.052 -13.165 -19.976 1.00 33.41 C ATOM 589 C TYR A 48 13.993 -14.124 -19.252 1.00 54.31 C ATOM 590 O TYR A 48 15.202 -14.116 -19.481 1.00 63.34 O ATOM 591 CB TYR A 48 13.103 -13.424 -21.483 1.00 1.53 C ATOM 592 CG TYR A 48 14.410 -13.013 -22.123 1.00 60.41 C ATOM 593 CD1 TYR A 48 15.408 -13.948 -22.370 1.00 42.15 C ATOM 594 CD2 TYR A 48 14.647 -11.692 -22.480 1.00 2.22 C ATOM 595 CE1 TYR A 48 16.604 -13.578 -22.955 1.00 2.23 C ATOM 596 CE2 TYR A 48 15.839 -11.313 -23.066 1.00 4.02 C ATOM 597 CZ TYR A 48 16.815 -12.259 -23.301 1.00 32.41 C ATOM 598 OH TYR A 48 18.004 -11.886 -23.883 1.00 43.21 O ATOM 0 H TYR A 48 14.395 -11.613 -19.552 1.00 2.31 H new ATOM 0 HA TYR A 48 12.037 -13.340 -19.618 1.00 33.41 H new ATOM 0 HB2 TYR A 48 12.936 -14.485 -21.667 1.00 1.53 H new ATOM 0 HB3 TYR A 48 12.287 -12.885 -21.964 1.00 1.53 H new ATOM 0 HD1 TYR A 48 15.246 -14.981 -22.100 1.00 42.15 H new ATOM 0 HD2 TYR A 48 13.886 -10.948 -22.296 1.00 2.22 H new ATOM 0 HE1 TYR A 48 17.369 -14.317 -23.140 1.00 2.23 H new ATOM 0 HE2 TYR A 48 16.006 -10.281 -23.339 1.00 4.02 H new ATOM 0 HH TYR A 48 17.991 -10.923 -24.065 1.00 43.21 H new ATOM 608 N PHE A 49 13.428 -14.949 -18.377 1.00 13.21 N ATOM 609 CA PHE A 49 14.215 -15.914 -17.618 1.00 15.10 C ATOM 610 C PHE A 49 14.431 -17.192 -18.423 1.00 3.00 C ATOM 611 O PHE A 49 13.476 -17.834 -18.858 1.00 53.53 O ATOM 612 CB PHE A 49 13.520 -16.243 -16.295 1.00 54.30 C ATOM 613 CG PHE A 49 14.289 -15.793 -15.086 1.00 13.31 C ATOM 614 CD1 PHE A 49 15.157 -16.657 -14.440 1.00 23.34 C ATOM 615 CD2 PHE A 49 14.143 -14.505 -14.595 1.00 74.13 C ATOM 616 CE1 PHE A 49 15.867 -16.246 -13.327 1.00 31.21 C ATOM 617 CE2 PHE A 49 14.850 -14.088 -13.483 1.00 73.44 C ATOM 618 CZ PHE A 49 15.712 -14.960 -12.848 1.00 30.33 C ATOM 0 H PHE A 49 12.428 -14.969 -18.176 1.00 13.21 H new ATOM 0 HA PHE A 49 15.187 -15.468 -17.409 1.00 15.10 H new ATOM 0 HB2 PHE A 49 12.536 -15.775 -16.285 1.00 54.30 H new ATOM 0 HB3 PHE A 49 13.362 -17.320 -16.235 1.00 54.30 H new ATOM 0 HD1 PHE A 49 15.281 -17.664 -14.810 1.00 23.34 H new ATOM 0 HD2 PHE A 49 13.469 -13.819 -15.087 1.00 74.13 H new ATOM 0 HE1 PHE A 49 16.542 -16.930 -12.833 1.00 31.21 H new ATOM 0 HE2 PHE A 49 14.728 -13.081 -13.111 1.00 73.44 H new ATOM 0 HZ PHE A 49 16.264 -14.637 -11.978 1.00 30.33 H new ATOM 628 N ALA A 50 15.695 -17.555 -18.617 1.00 10.21 N ATOM 629 CA ALA A 50 16.038 -18.756 -19.368 1.00 22.13 C ATOM 630 C ALA A 50 15.994 -19.992 -18.476 1.00 31.30 C ATOM 631 O ALA A 50 15.712 -21.096 -18.941 1.00 43.35 O ATOM 632 CB ALA A 50 17.414 -18.608 -20.000 1.00 62.10 C ATOM 0 H ALA A 50 16.498 -17.034 -18.264 1.00 10.21 H new ATOM 0 HA ALA A 50 15.299 -18.884 -20.159 1.00 22.13 H new ATOM 0 HB1 ALA A 50 17.657 -19.512 -20.558 1.00 62.10 H new ATOM 0 HB2 ALA A 50 17.414 -17.753 -20.677 1.00 62.10 H new ATOM 0 HB3 ALA A 50 18.158 -18.452 -19.219 1.00 62.10 H new ATOM 638 N GLY A 51 16.275 -19.800 -17.191 1.00 11.23 N ATOM 639 CA GLY A 51 16.262 -20.909 -16.254 1.00 44.54 C ATOM 640 C GLY A 51 17.593 -21.631 -16.194 1.00 63.51 C ATOM 641 O GLY A 51 18.025 -22.238 -17.175 1.00 54.52 O ATOM 0 H GLY A 51 16.512 -18.896 -16.782 1.00 11.23 H new ATOM 0 HA2 GLY A 51 16.008 -20.539 -15.261 1.00 44.54 H new ATOM 0 HA3 GLY A 51 15.482 -21.614 -16.541 1.00 44.54 H new ATOM 645 N LYS A 52 18.248 -21.567 -15.040 1.00 31.24 N ATOM 646 CA LYS A 52 19.538 -22.220 -14.854 1.00 23.12 C ATOM 647 C LYS A 52 19.599 -22.931 -13.506 1.00 3.14 C ATOM 648 O LYS A 52 20.528 -22.724 -12.724 1.00 61.13 O ATOM 649 CB LYS A 52 20.671 -21.195 -14.954 1.00 34.43 C ATOM 650 CG LYS A 52 22.040 -21.820 -15.156 1.00 62.11 C ATOM 651 CD LYS A 52 22.488 -21.726 -16.605 1.00 54.42 C ATOM 652 CE LYS A 52 23.908 -22.240 -16.785 1.00 14.03 C ATOM 653 NZ LYS A 52 24.371 -22.109 -18.194 1.00 32.50 N ATOM 0 H LYS A 52 17.906 -21.069 -14.218 1.00 31.24 H new ATOM 0 HA LYS A 52 19.658 -22.963 -15.642 1.00 23.12 H new ATOM 0 HB2 LYS A 52 20.464 -20.517 -15.782 1.00 34.43 H new ATOM 0 HB3 LYS A 52 20.686 -20.593 -14.046 1.00 34.43 H new ATOM 0 HG2 LYS A 52 22.767 -21.320 -14.516 1.00 62.11 H new ATOM 0 HG3 LYS A 52 22.012 -22.866 -14.850 1.00 62.11 H new ATOM 0 HD2 LYS A 52 21.809 -22.301 -17.235 1.00 54.42 H new ATOM 0 HD3 LYS A 52 22.430 -20.690 -16.938 1.00 54.42 H new ATOM 0 HE2 LYS A 52 24.580 -21.687 -16.129 1.00 14.03 H new ATOM 0 HE3 LYS A 52 23.957 -23.286 -16.483 1.00 14.03 H new ATOM 0 HZ1 LYS A 52 25.343 -22.470 -18.275 1.00 32.50 H new ATOM 0 HZ2 LYS A 52 23.745 -22.657 -18.818 1.00 32.50 H new ATOM 0 HZ3 LYS A 52 24.349 -21.108 -18.475 1.00 32.50 H new ATOM 667 N LYS A 53 18.605 -23.770 -13.239 1.00 35.40 N ATOM 668 CA LYS A 53 18.546 -24.515 -11.987 1.00 13.34 C ATOM 669 C LYS A 53 17.840 -25.853 -12.182 1.00 23.04 C ATOM 670 O LYS A 53 17.388 -26.173 -13.281 1.00 44.23 O ATOM 671 CB LYS A 53 17.821 -23.695 -10.916 1.00 62.51 C ATOM 672 CG LYS A 53 16.494 -23.123 -11.383 1.00 42.41 C ATOM 673 CD LYS A 53 16.489 -21.605 -11.318 1.00 54.54 C ATOM 674 CE LYS A 53 15.386 -21.014 -12.183 1.00 53.15 C ATOM 675 NZ LYS A 53 14.973 -19.664 -11.710 1.00 52.44 N ATOM 0 H LYS A 53 17.828 -23.952 -13.874 1.00 35.40 H new ATOM 0 HA LYS A 53 19.568 -24.708 -11.660 1.00 13.34 H new ATOM 0 HB2 LYS A 53 17.649 -24.325 -10.043 1.00 62.51 H new ATOM 0 HB3 LYS A 53 18.467 -22.877 -10.597 1.00 62.51 H new ATOM 0 HG2 LYS A 53 16.297 -23.445 -12.406 1.00 42.41 H new ATOM 0 HG3 LYS A 53 15.688 -23.518 -10.764 1.00 42.41 H new ATOM 0 HD2 LYS A 53 16.354 -21.284 -10.285 1.00 54.54 H new ATOM 0 HD3 LYS A 53 17.455 -21.222 -11.647 1.00 54.54 H new ATOM 0 HE2 LYS A 53 15.730 -20.947 -13.215 1.00 53.15 H new ATOM 0 HE3 LYS A 53 14.523 -21.680 -12.177 1.00 53.15 H new ATOM 0 HZ1 LYS A 53 14.220 -19.296 -12.326 1.00 52.44 H new ATOM 0 HZ2 LYS A 53 14.621 -19.731 -10.734 1.00 52.44 H new ATOM 0 HZ3 LYS A 53 15.790 -19.021 -11.740 1.00 52.44 H new ATOM 689 N ASP A 54 17.748 -26.630 -11.108 1.00 43.00 N ATOM 690 CA ASP A 54 17.095 -27.933 -11.161 1.00 2.22 C ATOM 691 C ASP A 54 15.674 -27.851 -10.613 1.00 11.23 C ATOM 692 O ASP A 54 15.147 -28.826 -10.077 1.00 45.33 O ATOM 693 CB ASP A 54 17.902 -28.964 -10.369 1.00 54.34 C ATOM 694 CG ASP A 54 17.922 -30.323 -11.041 1.00 55.31 C ATOM 695 OD1 ASP A 54 17.695 -31.333 -10.343 1.00 31.40 O ATOM 696 OD2 ASP A 54 18.163 -30.376 -12.265 1.00 11.40 O ATOM 0 H ASP A 54 18.117 -26.380 -10.191 1.00 43.00 H new ATOM 0 HA ASP A 54 17.045 -28.245 -12.204 1.00 2.22 H new ATOM 0 HB2 ASP A 54 18.925 -28.606 -10.249 1.00 54.34 H new ATOM 0 HB3 ASP A 54 17.479 -29.062 -9.369 1.00 54.34 H new ATOM 701 N ALA A 55 15.059 -26.681 -10.750 1.00 1.55 N ATOM 702 CA ALA A 55 13.699 -26.472 -10.269 1.00 51.51 C ATOM 703 C ALA A 55 12.746 -26.185 -11.425 1.00 4.21 C ATOM 704 O ALA A 55 13.158 -25.800 -12.520 1.00 22.34 O ATOM 705 CB ALA A 55 13.665 -25.334 -9.260 1.00 13.53 C ATOM 0 H ALA A 55 15.481 -25.863 -11.190 1.00 1.55 H new ATOM 0 HA ALA A 55 13.369 -27.388 -9.779 1.00 51.51 H new ATOM 0 HB1 ALA A 55 12.643 -25.189 -8.909 1.00 13.53 H new ATOM 0 HB2 ALA A 55 14.308 -25.578 -8.414 1.00 13.53 H new ATOM 0 HB3 ALA A 55 14.020 -24.418 -9.733 1.00 13.53 H new ATOM 711 N PRO A 56 11.442 -26.376 -11.179 1.00 72.10 N ATOM 712 CA PRO A 56 10.404 -26.144 -12.188 1.00 12.13 C ATOM 713 C PRO A 56 10.227 -24.663 -12.507 1.00 72.43 C ATOM 714 O PRO A 56 10.734 -23.787 -11.807 1.00 25.42 O ATOM 715 CB PRO A 56 9.140 -26.704 -11.531 1.00 75.12 C ATOM 716 CG PRO A 56 9.402 -26.615 -10.067 1.00 55.24 C ATOM 717 CD PRO A 56 10.879 -26.833 -9.897 1.00 65.21 C ATOM 0 HA PRO A 56 10.649 -26.613 -13.141 1.00 12.13 H new ATOM 0 HB2 PRO A 56 8.259 -26.126 -11.811 1.00 75.12 H new ATOM 0 HB3 PRO A 56 8.957 -27.734 -11.838 1.00 75.12 H new ATOM 0 HG2 PRO A 56 9.103 -25.643 -9.676 1.00 55.24 H new ATOM 0 HG3 PRO A 56 8.831 -27.367 -9.522 1.00 55.24 H new ATOM 0 HD2 PRO A 56 11.275 -26.262 -9.058 1.00 65.21 H new ATOM 0 HD3 PRO A 56 11.111 -27.881 -9.707 1.00 65.21 H new ATOM 725 N PRO A 57 9.489 -24.375 -13.590 1.00 3.12 N ATOM 726 CA PRO A 57 9.228 -23.000 -14.026 1.00 34.10 C ATOM 727 C PRO A 57 8.297 -22.257 -13.073 1.00 45.23 C ATOM 728 O PRO A 57 7.083 -22.452 -13.100 1.00 11.02 O ATOM 729 CB PRO A 57 8.560 -23.182 -15.391 1.00 63.05 C ATOM 730 CG PRO A 57 7.945 -24.538 -15.335 1.00 4.21 C ATOM 731 CD PRO A 57 8.854 -25.369 -14.471 1.00 54.32 C ATOM 0 HA PRO A 57 10.139 -22.402 -14.058 1.00 34.10 H new ATOM 0 HB2 PRO A 57 7.808 -22.413 -15.569 1.00 63.05 H new ATOM 0 HB3 PRO A 57 9.287 -23.110 -16.200 1.00 63.05 H new ATOM 0 HG2 PRO A 57 6.940 -24.494 -14.915 1.00 4.21 H new ATOM 0 HG3 PRO A 57 7.855 -24.967 -16.333 1.00 4.21 H new ATOM 0 HD2 PRO A 57 8.297 -26.113 -13.902 1.00 54.32 H new ATOM 0 HD3 PRO A 57 9.591 -25.908 -15.066 1.00 54.32 H new ATOM 739 N GLU A 58 8.876 -21.404 -12.233 1.00 62.24 N ATOM 740 CA GLU A 58 8.097 -20.632 -11.272 1.00 63.32 C ATOM 741 C GLU A 58 7.824 -19.226 -11.798 1.00 11.03 C ATOM 742 O GLU A 58 6.742 -18.675 -11.595 1.00 33.50 O ATOM 743 CB GLU A 58 8.832 -20.554 -9.932 1.00 70.13 C ATOM 744 CG GLU A 58 7.985 -19.986 -8.806 1.00 32.51 C ATOM 745 CD GLU A 58 8.165 -20.741 -7.503 1.00 62.11 C ATOM 746 OE1 GLU A 58 9.247 -21.334 -7.307 1.00 33.24 O ATOM 747 OE2 GLU A 58 7.226 -20.739 -6.681 1.00 32.14 O ATOM 0 H GLU A 58 9.881 -21.230 -12.199 1.00 62.24 H new ATOM 0 HA GLU A 58 7.143 -21.138 -11.126 1.00 63.32 H new ATOM 0 HB2 GLU A 58 9.169 -21.552 -9.654 1.00 70.13 H new ATOM 0 HB3 GLU A 58 9.723 -19.938 -10.051 1.00 70.13 H new ATOM 0 HG2 GLU A 58 8.245 -18.938 -8.654 1.00 32.51 H new ATOM 0 HG3 GLU A 58 6.935 -20.015 -9.096 1.00 32.51 H new ATOM 754 N SER A 59 8.813 -18.650 -12.473 1.00 63.44 N ATOM 755 CA SER A 59 8.682 -17.307 -13.025 1.00 1.34 C ATOM 756 C SER A 59 8.069 -17.350 -14.421 1.00 45.12 C ATOM 757 O SER A 59 7.951 -18.416 -15.026 1.00 52.52 O ATOM 758 CB SER A 59 10.047 -16.618 -13.075 1.00 43.12 C ATOM 759 OG SER A 59 11.099 -17.561 -12.961 1.00 51.10 O ATOM 0 H SER A 59 9.715 -19.093 -12.651 1.00 63.44 H new ATOM 0 HA SER A 59 8.019 -16.737 -12.374 1.00 1.34 H new ATOM 0 HB2 SER A 59 10.147 -16.069 -14.011 1.00 43.12 H new ATOM 0 HB3 SER A 59 10.119 -15.888 -12.268 1.00 43.12 H new ATOM 0 HG SER A 59 11.961 -17.096 -12.997 1.00 51.10 H new ATOM 765 N ARG A 60 7.682 -16.183 -14.927 1.00 30.53 N ATOM 766 CA ARG A 60 7.080 -16.087 -16.251 1.00 43.11 C ATOM 767 C ARG A 60 8.034 -15.415 -17.234 1.00 44.21 C ATOM 768 O ARG A 60 8.422 -14.260 -17.050 1.00 73.33 O ATOM 769 CB ARG A 60 5.767 -15.305 -16.182 1.00 44.44 C ATOM 770 CG ARG A 60 4.672 -16.020 -15.410 1.00 34.52 C ATOM 771 CD ARG A 60 4.142 -17.222 -16.178 1.00 3.44 C ATOM 772 NE ARG A 60 4.028 -18.406 -15.330 1.00 52.33 N ATOM 773 CZ ARG A 60 3.965 -19.645 -15.804 1.00 60.11 C ATOM 774 NH1 ARG A 60 4.006 -19.861 -17.112 1.00 30.44 N ATOM 775 NH2 ARG A 60 3.862 -20.671 -14.969 1.00 74.34 N ATOM 0 H ARG A 60 7.775 -15.292 -14.440 1.00 30.53 H new ATOM 0 HA ARG A 60 6.875 -17.098 -16.604 1.00 43.11 H new ATOM 0 HB2 ARG A 60 5.955 -14.337 -15.717 1.00 44.44 H new ATOM 0 HB3 ARG A 60 5.417 -15.109 -17.196 1.00 44.44 H new ATOM 0 HG2 ARG A 60 5.059 -16.346 -14.445 1.00 34.52 H new ATOM 0 HG3 ARG A 60 3.855 -15.327 -15.208 1.00 34.52 H new ATOM 0 HD2 ARG A 60 3.165 -16.982 -16.598 1.00 3.44 H new ATOM 0 HD3 ARG A 60 4.805 -17.438 -17.016 1.00 3.44 H new ATOM 0 HE ARG A 60 3.995 -18.274 -14.319 1.00 52.33 H new ATOM 0 HH11 ARG A 60 4.086 -19.075 -17.757 1.00 30.44 H new ATOM 0 HH12 ARG A 60 3.957 -20.814 -17.473 1.00 30.44 H new ATOM 0 HH21 ARG A 60 3.831 -20.508 -13.963 1.00 74.34 H new ATOM 0 HH22 ARG A 60 3.814 -21.622 -15.334 1.00 74.34 H new ATOM 789 N THR A 61 8.411 -16.145 -18.279 1.00 70.51 N ATOM 790 CA THR A 61 9.321 -15.622 -19.290 1.00 13.40 C ATOM 791 C THR A 61 8.639 -15.534 -20.651 1.00 12.55 C ATOM 792 O THR A 61 8.394 -16.550 -21.301 1.00 41.32 O ATOM 793 CB THR A 61 10.583 -16.495 -19.417 1.00 20.24 C ATOM 794 OG1 THR A 61 11.345 -16.093 -20.560 1.00 54.44 O ATOM 795 CG2 THR A 61 10.213 -17.966 -19.539 1.00 44.32 C ATOM 0 H THR A 61 8.099 -17.102 -18.447 1.00 70.51 H new ATOM 0 HA THR A 61 9.611 -14.623 -18.966 1.00 13.40 H new ATOM 0 HB THR A 61 11.183 -16.361 -18.517 1.00 20.24 H new ATOM 0 HG1 THR A 61 12.146 -16.652 -20.632 1.00 54.44 H new ATOM 0 HG21 THR A 61 11.120 -18.563 -19.628 1.00 44.32 H new ATOM 0 HG22 THR A 61 9.659 -18.277 -18.653 1.00 44.32 H new ATOM 0 HG23 THR A 61 9.594 -18.113 -20.424 1.00 44.32 H new ATOM 803 N LYS A 62 8.334 -14.312 -21.077 1.00 24.34 N ATOM 804 CA LYS A 62 7.682 -14.090 -22.362 1.00 22.24 C ATOM 805 C LYS A 62 8.272 -12.874 -23.068 1.00 63.13 C ATOM 806 O LYS A 62 8.858 -11.988 -22.446 1.00 11.13 O ATOM 807 CB LYS A 62 6.176 -13.899 -22.166 1.00 44.02 C ATOM 808 CG LYS A 62 5.824 -13.029 -20.972 1.00 53.44 C ATOM 809 CD LYS A 62 5.602 -13.862 -19.721 1.00 55.32 C ATOM 810 CE LYS A 62 4.143 -14.266 -19.573 1.00 31.33 C ATOM 811 NZ LYS A 62 3.995 -15.728 -19.329 1.00 53.12 N ATOM 0 H LYS A 62 8.528 -13.460 -20.550 1.00 24.34 H new ATOM 0 HA LYS A 62 7.853 -14.968 -22.985 1.00 22.24 H new ATOM 0 HB2 LYS A 62 5.754 -13.453 -23.067 1.00 44.02 H new ATOM 0 HB3 LYS A 62 5.707 -14.875 -22.044 1.00 44.02 H new ATOM 0 HG2 LYS A 62 6.625 -12.311 -20.795 1.00 53.44 H new ATOM 0 HG3 LYS A 62 4.924 -12.454 -21.192 1.00 53.44 H new ATOM 0 HD2 LYS A 62 6.226 -14.755 -19.762 1.00 55.32 H new ATOM 0 HD3 LYS A 62 5.914 -13.295 -18.844 1.00 55.32 H new ATOM 0 HE2 LYS A 62 3.695 -13.713 -18.748 1.00 31.33 H new ATOM 0 HE3 LYS A 62 3.597 -13.991 -20.475 1.00 31.33 H new ATOM 0 HZ1 LYS A 62 3.672 -16.194 -20.201 1.00 53.12 H new ATOM 0 HZ2 LYS A 62 4.912 -16.127 -19.043 1.00 53.12 H new ATOM 0 HZ3 LYS A 62 3.298 -15.885 -18.573 1.00 53.12 H new ATOM 825 N PRO A 63 8.115 -12.828 -24.399 1.00 53.25 N ATOM 826 CA PRO A 63 8.623 -11.724 -25.219 1.00 4.10 C ATOM 827 C PRO A 63 7.857 -10.427 -24.985 1.00 15.13 C ATOM 828 O PRO A 63 8.329 -9.344 -25.332 1.00 33.35 O ATOM 829 CB PRO A 63 8.412 -12.219 -26.652 1.00 34.02 C ATOM 830 CG PRO A 63 7.290 -13.194 -26.554 1.00 31.53 C ATOM 831 CD PRO A 63 7.427 -13.849 -25.207 1.00 62.41 C ATOM 0 HA PRO A 63 9.661 -11.487 -24.984 1.00 4.10 H new ATOM 0 HB2 PRO A 63 8.164 -11.396 -27.323 1.00 34.02 H new ATOM 0 HB3 PRO A 63 9.313 -12.690 -27.045 1.00 34.02 H new ATOM 0 HG2 PRO A 63 6.327 -12.692 -26.648 1.00 31.53 H new ATOM 0 HG3 PRO A 63 7.343 -13.932 -27.354 1.00 31.53 H new ATOM 0 HD2 PRO A 63 6.456 -14.108 -24.785 1.00 62.41 H new ATOM 0 HD3 PRO A 63 8.005 -14.771 -25.266 1.00 62.41 H new ATOM 839 N SER A 64 6.672 -10.544 -24.394 1.00 14.21 N ATOM 840 CA SER A 64 5.838 -9.380 -24.116 1.00 72.13 C ATOM 841 C SER A 64 6.614 -8.332 -23.326 1.00 3.44 C ATOM 842 O SER A 64 7.512 -8.661 -22.550 1.00 13.11 O ATOM 843 CB SER A 64 4.586 -9.796 -23.341 1.00 62.41 C ATOM 844 OG SER A 64 4.056 -11.011 -23.843 1.00 53.43 O ATOM 0 H SER A 64 6.268 -11.433 -24.098 1.00 14.21 H new ATOM 0 HA SER A 64 5.538 -8.943 -25.069 1.00 72.13 H new ATOM 0 HB2 SER A 64 4.830 -9.911 -22.285 1.00 62.41 H new ATOM 0 HB3 SER A 64 3.833 -9.011 -23.411 1.00 62.41 H new ATOM 0 HG SER A 64 3.258 -11.256 -23.330 1.00 53.43 H new ATOM 850 N VAL A 65 6.262 -7.066 -23.528 1.00 41.14 N ATOM 851 CA VAL A 65 6.924 -5.968 -22.835 1.00 10.44 C ATOM 852 C VAL A 65 6.042 -5.408 -21.724 1.00 52.45 C ATOM 853 O VAL A 65 4.815 -5.427 -21.823 1.00 13.43 O ATOM 854 CB VAL A 65 7.292 -4.830 -23.806 1.00 75.31 C ATOM 855 CG1 VAL A 65 8.377 -5.282 -24.772 1.00 34.44 C ATOM 856 CG2 VAL A 65 6.059 -4.356 -24.561 1.00 11.43 C ATOM 0 H VAL A 65 5.521 -6.776 -24.167 1.00 41.14 H new ATOM 0 HA VAL A 65 7.838 -6.374 -22.401 1.00 10.44 H new ATOM 0 HB VAL A 65 7.681 -3.992 -23.227 1.00 75.31 H new ATOM 0 HG11 VAL A 65 8.624 -4.465 -25.450 1.00 34.44 H new ATOM 0 HG12 VAL A 65 9.266 -5.570 -24.211 1.00 34.44 H new ATOM 0 HG13 VAL A 65 8.019 -6.136 -25.348 1.00 34.44 H new ATOM 0 HG21 VAL A 65 6.336 -3.552 -25.243 1.00 11.43 H new ATOM 0 HG22 VAL A 65 5.640 -5.186 -25.130 1.00 11.43 H new ATOM 0 HG23 VAL A 65 5.316 -3.990 -23.852 1.00 11.43 H new ATOM 866 N PHE A 66 6.675 -4.909 -20.668 1.00 11.20 N ATOM 867 CA PHE A 66 5.948 -4.343 -19.538 1.00 33.14 C ATOM 868 C PHE A 66 6.118 -2.828 -19.485 1.00 12.40 C ATOM 869 O PHE A 66 7.236 -2.315 -19.532 1.00 21.00 O ATOM 870 CB PHE A 66 6.433 -4.968 -18.228 1.00 15.22 C ATOM 871 CG PHE A 66 6.543 -6.465 -18.282 1.00 52.23 C ATOM 872 CD1 PHE A 66 7.783 -7.082 -18.289 1.00 44.52 C ATOM 873 CD2 PHE A 66 5.406 -7.255 -18.327 1.00 74.13 C ATOM 874 CE1 PHE A 66 7.888 -8.459 -18.339 1.00 4.10 C ATOM 875 CE2 PHE A 66 5.504 -8.633 -18.377 1.00 3.23 C ATOM 876 CZ PHE A 66 6.747 -9.235 -18.384 1.00 22.42 C ATOM 0 H PHE A 66 7.690 -4.885 -20.571 1.00 11.20 H new ATOM 0 HA PHE A 66 4.890 -4.567 -19.670 1.00 33.14 H new ATOM 0 HB2 PHE A 66 7.407 -4.549 -17.974 1.00 15.22 H new ATOM 0 HB3 PHE A 66 5.748 -4.691 -17.427 1.00 15.22 H new ATOM 0 HD1 PHE A 66 8.679 -6.480 -18.255 1.00 44.52 H new ATOM 0 HD2 PHE A 66 4.432 -6.789 -18.323 1.00 74.13 H new ATOM 0 HE1 PHE A 66 8.861 -8.927 -18.343 1.00 4.10 H new ATOM 0 HE2 PHE A 66 4.610 -9.238 -18.411 1.00 3.23 H new ATOM 0 HZ PHE A 66 6.826 -10.311 -18.425 1.00 22.42 H new ATOM 886 N VAL A 67 4.999 -2.116 -19.388 1.00 5.43 N ATOM 887 CA VAL A 67 5.023 -0.659 -19.328 1.00 43.01 C ATOM 888 C VAL A 67 4.270 -0.147 -18.106 1.00 11.42 C ATOM 889 O VAL A 67 3.232 -0.691 -17.729 1.00 71.14 O ATOM 890 CB VAL A 67 4.408 -0.035 -20.595 1.00 65.31 C ATOM 891 CG1 VAL A 67 5.189 -0.457 -21.831 1.00 31.12 C ATOM 892 CG2 VAL A 67 2.943 -0.423 -20.722 1.00 10.00 C ATOM 0 H VAL A 67 4.065 -2.524 -19.349 1.00 5.43 H new ATOM 0 HA VAL A 67 6.069 -0.362 -19.257 1.00 43.01 H new ATOM 0 HB VAL A 67 4.467 1.050 -20.510 1.00 65.31 H new ATOM 0 HG11 VAL A 67 4.740 -0.007 -22.716 1.00 31.12 H new ATOM 0 HG12 VAL A 67 6.223 -0.124 -21.739 1.00 31.12 H new ATOM 0 HG13 VAL A 67 5.164 -1.543 -21.924 1.00 31.12 H new ATOM 0 HG21 VAL A 67 2.524 0.026 -21.622 1.00 10.00 H new ATOM 0 HG22 VAL A 67 2.858 -1.508 -20.785 1.00 10.00 H new ATOM 0 HG23 VAL A 67 2.395 -0.066 -19.850 1.00 10.00 H new ATOM 902 N VAL A 68 4.799 0.905 -17.489 1.00 44.31 N ATOM 903 CA VAL A 68 4.176 1.493 -16.309 1.00 43.44 C ATOM 904 C VAL A 68 3.753 2.934 -16.572 1.00 55.02 C ATOM 905 O VAL A 68 4.586 3.797 -16.850 1.00 32.14 O ATOM 906 CB VAL A 68 5.127 1.462 -15.098 1.00 42.41 C ATOM 907 CG1 VAL A 68 4.425 1.984 -13.854 1.00 53.40 C ATOM 908 CG2 VAL A 68 5.655 0.054 -14.871 1.00 75.41 C ATOM 0 H VAL A 68 5.658 1.368 -17.787 1.00 44.31 H new ATOM 0 HA VAL A 68 3.294 0.893 -16.084 1.00 43.44 H new ATOM 0 HB VAL A 68 5.975 2.114 -15.308 1.00 42.41 H new ATOM 0 HG11 VAL A 68 5.113 1.954 -13.009 1.00 53.40 H new ATOM 0 HG12 VAL A 68 4.101 3.011 -14.023 1.00 53.40 H new ATOM 0 HG13 VAL A 68 3.557 1.361 -13.638 1.00 53.40 H new ATOM 0 HG21 VAL A 68 6.325 0.051 -14.011 1.00 75.41 H new ATOM 0 HG22 VAL A 68 4.821 -0.622 -14.683 1.00 75.41 H new ATOM 0 HG23 VAL A 68 6.198 -0.278 -15.756 1.00 75.41 H new ATOM 918 N PHE A 69 2.451 3.188 -16.482 1.00 62.25 N ATOM 919 CA PHE A 69 1.915 4.525 -16.711 1.00 65.21 C ATOM 920 C PHE A 69 2.071 5.393 -15.466 1.00 14.01 C ATOM 921 O PHE A 69 1.936 4.913 -14.341 1.00 41.21 O ATOM 922 CB PHE A 69 0.441 4.445 -17.110 1.00 74.14 C ATOM 923 CG PHE A 69 0.217 3.810 -18.453 1.00 33.31 C ATOM 924 CD1 PHE A 69 0.340 2.439 -18.615 1.00 2.20 C ATOM 925 CD2 PHE A 69 -0.117 4.583 -19.553 1.00 41.20 C ATOM 926 CE1 PHE A 69 0.134 1.851 -19.849 1.00 5.41 C ATOM 927 CE2 PHE A 69 -0.324 4.001 -20.789 1.00 53.02 C ATOM 928 CZ PHE A 69 -0.197 2.634 -20.938 1.00 33.33 C ATOM 0 H PHE A 69 1.748 2.486 -16.252 1.00 62.25 H new ATOM 0 HA PHE A 69 2.479 4.982 -17.524 1.00 65.21 H new ATOM 0 HB2 PHE A 69 -0.102 3.878 -16.354 1.00 74.14 H new ATOM 0 HB3 PHE A 69 0.020 5.450 -17.118 1.00 74.14 H new ATOM 0 HD1 PHE A 69 0.600 1.823 -17.767 1.00 2.20 H new ATOM 0 HD2 PHE A 69 -0.217 5.653 -19.443 1.00 41.20 H new ATOM 0 HE1 PHE A 69 0.232 0.781 -19.962 1.00 5.41 H new ATOM 0 HE2 PHE A 69 -0.585 4.615 -21.638 1.00 53.02 H new ATOM 0 HZ PHE A 69 -0.356 2.178 -21.904 1.00 33.33 H new ATOM 938 N ASN A 70 2.355 6.674 -15.677 1.00 1.02 N ATOM 939 CA ASN A 70 2.530 7.610 -14.572 1.00 50.01 C ATOM 940 C ASN A 70 1.188 8.184 -14.128 1.00 0.11 C ATOM 941 O ASN A 70 0.897 8.256 -12.934 1.00 75.02 O ATOM 942 CB ASN A 70 3.472 8.744 -14.981 1.00 61.03 C ATOM 943 CG ASN A 70 3.398 9.927 -14.036 1.00 14.32 C ATOM 944 OD1 ASN A 70 3.188 9.763 -12.834 1.00 2.32 O ATOM 945 ND2 ASN A 70 3.569 11.128 -14.576 1.00 52.04 N ATOM 0 H ASN A 70 2.469 7.088 -16.602 1.00 1.02 H new ATOM 0 HA ASN A 70 2.968 7.067 -13.735 1.00 50.01 H new ATOM 0 HB2 ASN A 70 4.495 8.370 -15.010 1.00 61.03 H new ATOM 0 HB3 ASN A 70 3.224 9.073 -15.990 1.00 61.03 H new ATOM 0 HD21 ASN A 70 3.529 11.961 -13.989 1.00 52.04 H new ATOM 0 HD22 ASN A 70 3.741 11.217 -15.577 1.00 52.04 H new ATOM 952 N SER A 71 0.375 8.591 -15.097 1.00 53.13 N ATOM 953 CA SER A 71 -0.935 9.162 -14.807 1.00 33.14 C ATOM 954 C SER A 71 -1.966 8.063 -14.570 1.00 75.41 C ATOM 955 O SER A 71 -2.067 7.113 -15.346 1.00 65.44 O ATOM 956 CB SER A 71 -1.389 10.063 -15.957 1.00 2.45 C ATOM 957 OG SER A 71 -0.301 10.402 -16.799 1.00 23.31 O ATOM 0 H SER A 71 0.600 8.536 -16.090 1.00 53.13 H new ATOM 0 HA SER A 71 -0.850 9.759 -13.899 1.00 33.14 H new ATOM 0 HB2 SER A 71 -2.159 9.556 -16.539 1.00 2.45 H new ATOM 0 HB3 SER A 71 -1.839 10.971 -15.556 1.00 2.45 H new ATOM 0 HG SER A 71 -0.617 10.977 -17.527 1.00 23.31 H new ATOM 963 N SER A 72 -2.731 8.200 -13.492 1.00 34.43 N ATOM 964 CA SER A 72 -3.753 7.217 -13.149 1.00 61.13 C ATOM 965 C SER A 72 -4.821 7.143 -14.236 1.00 71.50 C ATOM 966 O SER A 72 -5.169 6.060 -14.706 1.00 24.42 O ATOM 967 CB SER A 72 -4.398 7.567 -11.807 1.00 53.41 C ATOM 968 OG SER A 72 -3.453 8.141 -10.921 1.00 41.31 O ATOM 0 H SER A 72 -2.663 8.982 -12.841 1.00 34.43 H new ATOM 0 HA SER A 72 -3.272 6.242 -13.069 1.00 61.13 H new ATOM 0 HB2 SER A 72 -5.221 8.263 -11.966 1.00 53.41 H new ATOM 0 HB3 SER A 72 -4.822 6.669 -11.359 1.00 53.41 H new ATOM 0 HG SER A 72 -3.467 9.116 -11.015 1.00 41.31 H new ATOM 974 N GLU A 73 -5.337 8.302 -14.630 1.00 54.50 N ATOM 975 CA GLU A 73 -6.367 8.369 -15.661 1.00 22.13 C ATOM 976 C GLU A 73 -5.907 7.666 -16.935 1.00 11.02 C ATOM 977 O GLU A 73 -6.553 6.731 -17.407 1.00 23.01 O ATOM 978 CB GLU A 73 -6.719 9.826 -15.968 1.00 31.12 C ATOM 979 CG GLU A 73 -8.171 10.030 -16.367 1.00 30.05 C ATOM 980 CD GLU A 73 -8.351 10.166 -17.866 1.00 44.40 C ATOM 981 OE1 GLU A 73 -9.147 9.394 -18.440 1.00 43.12 O ATOM 982 OE2 GLU A 73 -7.695 11.044 -18.465 1.00 54.51 O ATOM 0 H GLU A 73 -5.059 9.208 -14.252 1.00 54.50 H new ATOM 0 HA GLU A 73 -7.255 7.860 -15.286 1.00 22.13 H new ATOM 0 HB2 GLU A 73 -6.503 10.436 -15.091 1.00 31.12 H new ATOM 0 HB3 GLU A 73 -6.076 10.185 -16.772 1.00 31.12 H new ATOM 0 HG2 GLU A 73 -8.764 9.188 -16.009 1.00 30.05 H new ATOM 0 HG3 GLU A 73 -8.557 10.924 -15.876 1.00 30.05 H new ATOM 989 N GLU A 74 -4.787 8.124 -17.486 1.00 14.54 N ATOM 990 CA GLU A 74 -4.242 7.541 -18.706 1.00 33.45 C ATOM 991 C GLU A 74 -3.917 6.063 -18.504 1.00 11.44 C ATOM 992 O GLU A 74 -4.094 5.249 -19.409 1.00 20.33 O ATOM 993 CB GLU A 74 -2.985 8.296 -19.141 1.00 60.03 C ATOM 994 CG GLU A 74 -3.007 8.725 -20.599 1.00 30.22 C ATOM 995 CD GLU A 74 -4.238 9.538 -20.949 1.00 2.40 C ATOM 996 OE1 GLU A 74 -5.103 9.018 -21.684 1.00 61.31 O ATOM 997 OE2 GLU A 74 -4.336 10.695 -20.489 1.00 31.14 O ATOM 0 H GLU A 74 -4.240 8.897 -17.107 1.00 14.54 H new ATOM 0 HA GLU A 74 -4.997 7.626 -19.488 1.00 33.45 H new ATOM 0 HB2 GLU A 74 -2.866 9.179 -18.513 1.00 60.03 H new ATOM 0 HB3 GLU A 74 -2.114 7.663 -18.970 1.00 60.03 H new ATOM 0 HG2 GLU A 74 -2.115 9.313 -20.814 1.00 30.22 H new ATOM 0 HG3 GLU A 74 -2.967 7.841 -21.235 1.00 30.22 H new ATOM 1004 N ALA A 75 -3.440 5.727 -17.310 1.00 30.52 N ATOM 1005 CA ALA A 75 -3.091 4.348 -16.988 1.00 13.44 C ATOM 1006 C ALA A 75 -4.281 3.418 -17.196 1.00 72.11 C ATOM 1007 O ALA A 75 -4.189 2.433 -17.927 1.00 61.53 O ATOM 1008 CB ALA A 75 -2.588 4.252 -15.555 1.00 14.31 C ATOM 0 H ALA A 75 -3.286 6.390 -16.550 1.00 30.52 H new ATOM 0 HA ALA A 75 -2.295 4.033 -17.663 1.00 13.44 H new ATOM 0 HB1 ALA A 75 -2.331 3.217 -15.328 1.00 14.31 H new ATOM 0 HB2 ALA A 75 -1.705 4.879 -15.437 1.00 14.31 H new ATOM 0 HB3 ALA A 75 -3.367 4.590 -14.872 1.00 14.31 H new ATOM 1014 N GLU A 76 -5.397 3.737 -16.548 1.00 52.42 N ATOM 1015 CA GLU A 76 -6.605 2.928 -16.662 1.00 64.25 C ATOM 1016 C GLU A 76 -7.142 2.951 -18.091 1.00 11.15 C ATOM 1017 O GLU A 76 -7.617 1.938 -18.603 1.00 21.12 O ATOM 1018 CB GLU A 76 -7.677 3.432 -15.694 1.00 63.50 C ATOM 1019 CG GLU A 76 -7.379 3.115 -14.238 1.00 43.50 C ATOM 1020 CD GLU A 76 -8.256 2.006 -13.691 1.00 5.04 C ATOM 1021 OE1 GLU A 76 -9.453 1.968 -14.044 1.00 1.12 O ATOM 1022 OE2 GLU A 76 -7.745 1.176 -12.909 1.00 51.44 O ATOM 0 H GLU A 76 -5.490 4.550 -15.939 1.00 52.42 H new ATOM 0 HA GLU A 76 -6.349 1.900 -16.405 1.00 64.25 H new ATOM 0 HB2 GLU A 76 -7.780 4.511 -15.809 1.00 63.50 H new ATOM 0 HB3 GLU A 76 -8.636 2.990 -15.965 1.00 63.50 H new ATOM 0 HG2 GLU A 76 -6.332 2.827 -14.140 1.00 43.50 H new ATOM 0 HG3 GLU A 76 -7.520 4.014 -13.638 1.00 43.50 H new ATOM 1029 N ALA A 77 -7.064 4.115 -18.727 1.00 1.21 N ATOM 1030 CA ALA A 77 -7.541 4.271 -20.096 1.00 3.15 C ATOM 1031 C ALA A 77 -6.881 3.259 -21.025 1.00 64.35 C ATOM 1032 O ALA A 77 -7.555 2.586 -21.806 1.00 24.34 O ATOM 1033 CB ALA A 77 -7.282 5.688 -20.586 1.00 75.02 C ATOM 0 H ALA A 77 -6.675 4.964 -18.316 1.00 1.21 H new ATOM 0 HA ALA A 77 -8.615 4.086 -20.104 1.00 3.15 H new ATOM 0 HB1 ALA A 77 -7.643 5.791 -21.609 1.00 75.02 H new ATOM 0 HB2 ALA A 77 -7.805 6.396 -19.944 1.00 75.02 H new ATOM 0 HB3 ALA A 77 -6.212 5.893 -20.556 1.00 75.02 H new ATOM 1039 N PHE A 78 -5.559 3.156 -20.938 1.00 44.11 N ATOM 1040 CA PHE A 78 -4.807 2.227 -21.773 1.00 70.44 C ATOM 1041 C PHE A 78 -5.040 0.786 -21.329 1.00 72.41 C ATOM 1042 O PHE A 78 -5.111 -0.125 -22.154 1.00 43.22 O ATOM 1043 CB PHE A 78 -3.313 2.553 -21.720 1.00 51.20 C ATOM 1044 CG PHE A 78 -2.895 3.608 -22.704 1.00 64.01 C ATOM 1045 CD1 PHE A 78 -1.950 3.329 -23.678 1.00 44.43 C ATOM 1046 CD2 PHE A 78 -3.446 4.878 -22.654 1.00 41.25 C ATOM 1047 CE1 PHE A 78 -1.563 4.298 -24.586 1.00 25.44 C ATOM 1048 CE2 PHE A 78 -3.063 5.850 -23.559 1.00 50.23 C ATOM 1049 CZ PHE A 78 -2.119 5.560 -24.525 1.00 53.02 C ATOM 0 H PHE A 78 -4.986 3.705 -20.297 1.00 44.11 H new ATOM 0 HA PHE A 78 -5.159 2.335 -22.799 1.00 70.44 H new ATOM 0 HB2 PHE A 78 -3.057 2.884 -20.714 1.00 51.20 H new ATOM 0 HB3 PHE A 78 -2.744 1.643 -21.911 1.00 51.20 H new ATOM 0 HD1 PHE A 78 -1.511 2.344 -23.729 1.00 44.43 H new ATOM 0 HD2 PHE A 78 -4.183 5.111 -21.900 1.00 41.25 H new ATOM 0 HE1 PHE A 78 -0.827 4.068 -25.342 1.00 25.44 H new ATOM 0 HE2 PHE A 78 -3.502 6.836 -23.511 1.00 50.23 H new ATOM 0 HZ PHE A 78 -1.817 6.319 -25.231 1.00 53.02 H new ATOM 1059 N GLN A 79 -5.158 0.588 -20.020 1.00 54.01 N ATOM 1060 CA GLN A 79 -5.382 -0.742 -19.466 1.00 12.01 C ATOM 1061 C GLN A 79 -6.624 -1.384 -20.076 1.00 0.13 C ATOM 1062 O GLN A 79 -6.599 -2.545 -20.483 1.00 72.45 O ATOM 1063 CB GLN A 79 -5.527 -0.666 -17.945 1.00 55.01 C ATOM 1064 CG GLN A 79 -4.383 -1.324 -17.191 1.00 74.30 C ATOM 1065 CD GLN A 79 -4.142 -0.696 -15.833 1.00 4.13 C ATOM 1066 OE1 GLN A 79 -4.856 0.220 -15.424 1.00 4.22 O ATOM 1067 NE2 GLN A 79 -3.131 -1.186 -15.125 1.00 22.22 N ATOM 0 H GLN A 79 -5.102 1.331 -19.324 1.00 54.01 H new ATOM 0 HA GLN A 79 -4.519 -1.360 -19.711 1.00 12.01 H new ATOM 0 HB2 GLN A 79 -5.594 0.380 -17.647 1.00 55.01 H new ATOM 0 HB3 GLN A 79 -6.464 -1.141 -17.654 1.00 55.01 H new ATOM 0 HG2 GLN A 79 -4.599 -2.385 -17.063 1.00 74.30 H new ATOM 0 HG3 GLN A 79 -3.473 -1.254 -17.786 1.00 74.30 H new ATOM 0 HE21 GLN A 79 -2.565 -1.946 -15.503 1.00 22.22 H new ATOM 0 HE22 GLN A 79 -2.921 -0.803 -14.204 1.00 22.22 H new ATOM 1076 N LYS A 80 -7.710 -0.621 -20.135 1.00 10.31 N ATOM 1077 CA LYS A 80 -8.962 -1.113 -20.696 1.00 35.54 C ATOM 1078 C LYS A 80 -8.775 -1.552 -22.144 1.00 63.23 C ATOM 1079 O LYS A 80 -8.852 -2.740 -22.458 1.00 3.31 O ATOM 1080 CB LYS A 80 -10.042 -0.032 -20.615 1.00 42.51 C ATOM 1081 CG LYS A 80 -11.400 -0.488 -21.120 1.00 64.10 C ATOM 1082 CD LYS A 80 -12.378 0.671 -21.215 1.00 62.30 C ATOM 1083 CE LYS A 80 -12.852 0.884 -22.644 1.00 74.13 C ATOM 1084 NZ LYS A 80 -13.975 1.860 -22.716 1.00 60.43 N ATOM 0 H LYS A 80 -7.748 0.342 -19.801 1.00 10.31 H new ATOM 0 HA LYS A 80 -9.277 -1.977 -20.111 1.00 35.54 H new ATOM 0 HB2 LYS A 80 -10.140 0.295 -19.580 1.00 42.51 H new ATOM 0 HB3 LYS A 80 -9.721 0.834 -21.194 1.00 42.51 H new ATOM 0 HG2 LYS A 80 -11.288 -0.952 -22.100 1.00 64.10 H new ATOM 0 HG3 LYS A 80 -11.801 -1.250 -20.451 1.00 64.10 H new ATOM 0 HD2 LYS A 80 -13.236 0.478 -20.571 1.00 62.30 H new ATOM 0 HD3 LYS A 80 -11.902 1.581 -20.849 1.00 62.30 H new ATOM 0 HE2 LYS A 80 -12.021 1.241 -23.253 1.00 74.13 H new ATOM 0 HE3 LYS A 80 -13.171 -0.069 -23.067 1.00 74.13 H new ATOM 0 HZ1 LYS A 80 -14.270 1.978 -23.706 1.00 60.43 H new ATOM 0 HZ2 LYS A 80 -14.777 1.508 -22.156 1.00 60.43 H new ATOM 0 HZ3 LYS A 80 -13.663 2.777 -22.336 1.00 60.43 H new ATOM 1098 N ALA A 81 -8.527 -0.586 -23.023 1.00 23.40 N ATOM 1099 CA ALA A 81 -8.324 -0.874 -24.437 1.00 73.15 C ATOM 1100 C ALA A 81 -6.999 -0.303 -24.930 1.00 23.04 C ATOM 1101 O ALA A 81 -6.414 0.591 -24.317 1.00 34.32 O ATOM 1102 CB ALA A 81 -9.478 -0.319 -25.259 1.00 50.33 C ATOM 0 H ALA A 81 -8.462 0.403 -22.780 1.00 23.40 H new ATOM 0 HA ALA A 81 -8.291 -1.956 -24.560 1.00 73.15 H new ATOM 0 HB1 ALA A 81 -9.314 -0.541 -26.313 1.00 50.33 H new ATOM 0 HB2 ALA A 81 -10.411 -0.778 -24.933 1.00 50.33 H new ATOM 0 HB3 ALA A 81 -9.537 0.761 -25.121 1.00 50.33 H new ATOM 1108 N PRO A 82 -6.511 -0.830 -26.062 1.00 64.13 N ATOM 1109 CA PRO A 82 -5.248 -0.388 -26.662 1.00 10.55 C ATOM 1110 C PRO A 82 -5.343 1.019 -27.242 1.00 14.43 C ATOM 1111 O PRO A 82 -6.428 1.583 -27.391 1.00 3.23 O ATOM 1112 CB PRO A 82 -5.006 -1.410 -27.775 1.00 12.21 C ATOM 1113 CG PRO A 82 -6.363 -1.917 -28.124 1.00 64.42 C ATOM 1114 CD PRO A 82 -7.154 -1.898 -26.846 1.00 21.23 C ATOM 0 HA PRO A 82 -4.444 -0.339 -25.928 1.00 10.55 H new ATOM 0 HB2 PRO A 82 -4.521 -0.950 -28.636 1.00 12.21 H new ATOM 0 HB3 PRO A 82 -4.356 -2.217 -27.437 1.00 12.21 H new ATOM 0 HG2 PRO A 82 -6.831 -1.289 -28.882 1.00 64.42 H new ATOM 0 HG3 PRO A 82 -6.309 -2.925 -28.535 1.00 64.42 H new ATOM 0 HD2 PRO A 82 -8.207 -1.684 -27.028 1.00 21.23 H new ATOM 0 HD3 PRO A 82 -7.108 -2.858 -26.331 1.00 21.23 H new ATOM 1122 N PRO A 83 -4.183 1.602 -27.578 1.00 61.41 N ATOM 1123 CA PRO A 83 -4.110 2.950 -28.149 1.00 2.05 C ATOM 1124 C PRO A 83 -4.664 3.010 -29.568 1.00 30.12 C ATOM 1125 O PRO A 83 -5.245 4.016 -29.975 1.00 65.54 O ATOM 1126 CB PRO A 83 -2.610 3.255 -28.147 1.00 23.00 C ATOM 1127 CG PRO A 83 -1.952 1.919 -28.191 1.00 44.22 C ATOM 1128 CD PRO A 83 -2.853 0.988 -27.428 1.00 44.11 C ATOM 0 HA PRO A 83 -4.705 3.665 -27.582 1.00 2.05 H new ATOM 0 HB2 PRO A 83 -2.329 3.863 -29.006 1.00 23.00 H new ATOM 0 HB3 PRO A 83 -2.320 3.810 -27.255 1.00 23.00 H new ATOM 0 HG2 PRO A 83 -1.823 1.581 -29.219 1.00 44.22 H new ATOM 0 HG3 PRO A 83 -0.960 1.958 -27.741 1.00 44.22 H new ATOM 0 HD2 PRO A 83 -2.828 -0.022 -27.838 1.00 44.11 H new ATOM 0 HD3 PRO A 83 -2.560 0.914 -26.381 1.00 44.11 H new ATOM 1136 N MET A 84 -4.481 1.927 -30.316 1.00 34.53 N ATOM 1137 CA MET A 84 -4.965 1.856 -31.690 1.00 13.34 C ATOM 1138 C MET A 84 -4.290 2.913 -32.559 1.00 21.55 C ATOM 1139 O MET A 84 -4.735 4.059 -32.617 1.00 40.03 O ATOM 1140 CB MET A 84 -6.483 2.042 -31.728 1.00 54.02 C ATOM 1141 CG MET A 84 -7.234 0.811 -32.209 1.00 72.14 C ATOM 1142 SD MET A 84 -8.319 1.161 -33.606 1.00 72.03 S ATOM 1143 CE MET A 84 -9.283 2.522 -32.954 1.00 0.35 C ATOM 0 H MET A 84 -4.001 1.087 -29.994 1.00 34.53 H new ATOM 0 HA MET A 84 -4.716 0.872 -32.087 1.00 13.34 H new ATOM 0 HB2 MET A 84 -6.834 2.305 -30.730 1.00 54.02 H new ATOM 0 HB3 MET A 84 -6.722 2.881 -32.381 1.00 54.02 H new ATOM 0 HG2 MET A 84 -6.517 0.041 -32.495 1.00 72.14 H new ATOM 0 HG3 MET A 84 -7.825 0.407 -31.387 1.00 72.14 H new ATOM 0 HE1 MET A 84 -10.288 2.490 -33.375 1.00 0.35 H new ATOM 0 HE2 MET A 84 -9.341 2.440 -31.869 1.00 0.35 H new ATOM 0 HE3 MET A 84 -8.807 3.466 -33.221 1.00 0.35 H new ATOM 1153 N TYR A 85 -3.214 2.519 -33.231 1.00 11.11 N ATOM 1154 CA TYR A 85 -2.476 3.433 -34.095 1.00 1.05 C ATOM 1155 C TYR A 85 -2.484 2.944 -35.539 1.00 74.35 C ATOM 1156 O TYR A 85 -2.093 1.812 -35.826 1.00 35.13 O ATOM 1157 CB TYR A 85 -1.035 3.581 -33.603 1.00 30.11 C ATOM 1158 CG TYR A 85 -0.562 5.015 -33.538 1.00 3.43 C ATOM 1159 CD1 TYR A 85 0.120 5.493 -32.425 1.00 31.43 C ATOM 1160 CD2 TYR A 85 -0.797 5.894 -34.588 1.00 64.21 C ATOM 1161 CE1 TYR A 85 0.554 6.803 -32.360 1.00 73.42 C ATOM 1162 CE2 TYR A 85 -0.365 7.205 -34.533 1.00 31.11 C ATOM 1163 CZ TYR A 85 0.309 7.655 -33.417 1.00 23.41 C ATOM 1164 OH TYR A 85 0.739 8.960 -33.358 1.00 4.45 O ATOM 0 H TYR A 85 -2.834 1.573 -33.194 1.00 11.11 H new ATOM 0 HA TYR A 85 -2.968 4.405 -34.057 1.00 1.05 H new ATOM 0 HB2 TYR A 85 -0.950 3.134 -32.612 1.00 30.11 H new ATOM 0 HB3 TYR A 85 -0.375 3.019 -34.264 1.00 30.11 H new ATOM 0 HD1 TYR A 85 0.314 4.828 -31.596 1.00 31.43 H new ATOM 0 HD2 TYR A 85 -1.327 5.546 -35.463 1.00 64.21 H new ATOM 0 HE1 TYR A 85 1.082 7.158 -31.487 1.00 73.42 H new ATOM 0 HE2 TYR A 85 -0.554 7.874 -35.359 1.00 31.11 H new ATOM 0 HH TYR A 85 0.487 9.425 -34.183 1.00 4.45 H new ATOM 1174 N ASP A 86 -2.932 3.805 -36.446 1.00 54.11 N ATOM 1175 CA ASP A 86 -2.991 3.463 -37.863 1.00 1.05 C ATOM 1176 C ASP A 86 -1.635 2.970 -38.359 1.00 52.41 C ATOM 1177 O ASP A 86 -1.551 1.975 -39.079 1.00 42.30 O ATOM 1178 CB ASP A 86 -3.440 4.673 -38.683 1.00 44.22 C ATOM 1179 CG ASP A 86 -4.879 4.558 -39.145 1.00 61.13 C ATOM 1180 OD1 ASP A 86 -5.767 4.386 -38.284 1.00 20.11 O ATOM 1181 OD2 ASP A 86 -5.117 4.640 -40.368 1.00 54.51 O ATOM 0 H ASP A 86 -3.260 4.745 -36.225 1.00 54.11 H new ATOM 0 HA ASP A 86 -3.717 2.660 -37.989 1.00 1.05 H new ATOM 0 HB2 ASP A 86 -3.325 5.577 -38.084 1.00 44.22 H new ATOM 0 HB3 ASP A 86 -2.790 4.781 -39.551 1.00 44.22 H new ATOM 1186 N ASP A 87 -0.577 3.674 -37.971 1.00 35.04 N ATOM 1187 CA ASP A 87 0.775 3.308 -38.376 1.00 52.51 C ATOM 1188 C ASP A 87 1.062 1.845 -38.055 1.00 75.13 C ATOM 1189 O ASP A 87 1.315 1.040 -38.952 1.00 12.03 O ATOM 1190 CB ASP A 87 1.799 4.206 -37.680 1.00 41.21 C ATOM 1191 CG ASP A 87 1.831 5.606 -38.261 1.00 1.33 C ATOM 1192 OD1 ASP A 87 1.993 5.735 -39.493 1.00 22.45 O ATOM 1193 OD2 ASP A 87 1.693 6.574 -37.483 1.00 61.34 O ATOM 0 H ASP A 87 -0.630 4.501 -37.377 1.00 35.04 H new ATOM 0 HA ASP A 87 0.855 3.447 -39.454 1.00 52.51 H new ATOM 0 HB2 ASP A 87 1.565 4.262 -36.617 1.00 41.21 H new ATOM 0 HB3 ASP A 87 2.789 3.758 -37.766 1.00 41.21 H new ATOM 1198 N VAL A 88 1.021 1.507 -36.770 1.00 51.03 N ATOM 1199 CA VAL A 88 1.276 0.140 -36.331 1.00 2.53 C ATOM 1200 C VAL A 88 0.204 -0.333 -35.356 1.00 11.53 C ATOM 1201 O VAL A 88 -0.098 0.345 -34.374 1.00 0.40 O ATOM 1202 CB VAL A 88 2.657 0.016 -35.659 1.00 35.32 C ATOM 1203 CG1 VAL A 88 2.952 -1.435 -35.311 1.00 31.32 C ATOM 1204 CG2 VAL A 88 3.741 0.588 -36.560 1.00 33.24 C ATOM 0 H VAL A 88 0.814 2.161 -36.015 1.00 51.03 H new ATOM 0 HA VAL A 88 1.255 -0.488 -37.221 1.00 2.53 H new ATOM 0 HB VAL A 88 2.645 0.592 -34.734 1.00 35.32 H new ATOM 0 HG11 VAL A 88 3.931 -1.504 -34.837 1.00 31.32 H new ATOM 0 HG12 VAL A 88 2.190 -1.807 -34.626 1.00 31.32 H new ATOM 0 HG13 VAL A 88 2.946 -2.036 -36.220 1.00 31.32 H new ATOM 0 HG21 VAL A 88 4.710 0.492 -36.070 1.00 33.24 H new ATOM 0 HG22 VAL A 88 3.756 0.042 -37.503 1.00 33.24 H new ATOM 0 HG23 VAL A 88 3.535 1.641 -36.754 1.00 33.24 H new ATOM 1214 N GLN A 89 -0.367 -1.500 -35.634 1.00 13.04 N ATOM 1215 CA GLN A 89 -1.407 -2.064 -34.780 1.00 42.44 C ATOM 1216 C GLN A 89 -0.859 -2.383 -33.394 1.00 24.44 C ATOM 1217 O GLN A 89 0.096 -3.149 -33.253 1.00 72.31 O ATOM 1218 CB GLN A 89 -1.988 -3.328 -35.416 1.00 40.20 C ATOM 1219 CG GLN A 89 -3.507 -3.333 -35.481 1.00 43.25 C ATOM 1220 CD GLN A 89 -4.076 -4.717 -35.725 1.00 42.42 C ATOM 1221 OE1 GLN A 89 -3.538 -5.491 -36.518 1.00 11.25 O ATOM 1222 NE2 GLN A 89 -5.170 -5.036 -35.043 1.00 43.44 N ATOM 0 H GLN A 89 -0.128 -2.074 -36.443 1.00 13.04 H new ATOM 0 HA GLN A 89 -2.199 -1.322 -34.675 1.00 42.44 H new ATOM 0 HB2 GLN A 89 -1.589 -3.433 -36.425 1.00 40.20 H new ATOM 0 HB3 GLN A 89 -1.654 -4.197 -34.849 1.00 40.20 H new ATOM 0 HG2 GLN A 89 -3.908 -2.939 -34.547 1.00 43.25 H new ATOM 0 HG3 GLN A 89 -3.835 -2.664 -36.277 1.00 43.25 H new ATOM 0 HE21 GLN A 89 -5.582 -4.363 -34.396 1.00 43.44 H new ATOM 0 HE22 GLN A 89 -5.598 -5.954 -35.166 1.00 43.44 H new ATOM 1231 N LEU A 90 -1.467 -1.792 -32.372 1.00 33.14 N ATOM 1232 CA LEU A 90 -1.040 -2.014 -30.994 1.00 51.45 C ATOM 1233 C LEU A 90 -1.964 -3.002 -30.290 1.00 62.21 C ATOM 1234 O LEU A 90 -3.183 -2.958 -30.458 1.00 70.44 O ATOM 1235 CB LEU A 90 -1.012 -0.690 -30.229 1.00 14.50 C ATOM 1236 CG LEU A 90 0.370 -0.178 -29.823 1.00 1.21 C ATOM 1237 CD1 LEU A 90 1.027 -1.136 -28.841 1.00 52.23 C ATOM 1238 CD2 LEU A 90 1.249 0.016 -31.050 1.00 55.42 C ATOM 0 H LEU A 90 -2.258 -1.155 -32.471 1.00 33.14 H new ATOM 0 HA LEU A 90 -0.035 -2.436 -31.014 1.00 51.45 H new ATOM 0 HB2 LEU A 90 -1.493 0.071 -30.843 1.00 14.50 H new ATOM 0 HB3 LEU A 90 -1.615 -0.801 -29.328 1.00 14.50 H new ATOM 0 HG LEU A 90 0.248 0.787 -29.332 1.00 1.21 H new ATOM 0 HD11 LEU A 90 2.010 -0.755 -28.563 1.00 52.23 H new ATOM 0 HD12 LEU A 90 0.407 -1.225 -27.949 1.00 52.23 H new ATOM 0 HD13 LEU A 90 1.136 -2.116 -29.306 1.00 52.23 H new ATOM 0 HD21 LEU A 90 2.229 0.381 -30.742 1.00 55.42 H new ATOM 0 HD22 LEU A 90 1.363 -0.935 -31.570 1.00 55.42 H new ATOM 0 HD23 LEU A 90 0.786 0.742 -31.719 1.00 55.42 H new ATOM 1250 N THR A 91 -1.375 -3.893 -29.498 1.00 33.11 N ATOM 1251 CA THR A 91 -2.145 -4.892 -28.767 1.00 2.33 C ATOM 1252 C THR A 91 -1.799 -4.874 -27.282 1.00 43.13 C ATOM 1253 O THR A 91 -0.761 -5.392 -26.871 1.00 33.41 O ATOM 1254 CB THR A 91 -1.900 -6.307 -29.322 1.00 64.34 C ATOM 1255 OG1 THR A 91 -1.588 -6.238 -30.718 1.00 63.43 O ATOM 1256 CG2 THR A 91 -3.121 -7.190 -29.113 1.00 41.24 C ATOM 0 H THR A 91 -0.368 -3.943 -29.347 1.00 33.11 H new ATOM 0 HA THR A 91 -3.197 -4.637 -28.896 1.00 2.33 H new ATOM 0 HB THR A 91 -1.059 -6.744 -28.783 1.00 64.34 H new ATOM 0 HG1 THR A 91 -1.432 -7.142 -31.063 1.00 63.43 H new ATOM 0 HG21 THR A 91 -2.924 -8.184 -29.513 1.00 41.24 H new ATOM 0 HG22 THR A 91 -3.338 -7.264 -28.047 1.00 41.24 H new ATOM 0 HG23 THR A 91 -3.977 -6.755 -29.628 1.00 41.24 H new ATOM 1264 N ALA A 92 -2.675 -4.274 -26.482 1.00 64.44 N ATOM 1265 CA ALA A 92 -2.462 -4.192 -25.043 1.00 14.23 C ATOM 1266 C ALA A 92 -3.460 -5.065 -24.290 1.00 30.42 C ATOM 1267 O ALA A 92 -4.623 -5.169 -24.677 1.00 73.01 O ATOM 1268 CB ALA A 92 -2.565 -2.747 -24.576 1.00 75.31 C ATOM 0 H ALA A 92 -3.538 -3.838 -26.807 1.00 64.44 H new ATOM 0 HA ALA A 92 -1.460 -4.562 -24.827 1.00 14.23 H new ATOM 0 HB1 ALA A 92 -2.404 -2.700 -23.499 1.00 75.31 H new ATOM 0 HB2 ALA A 92 -1.809 -2.146 -25.082 1.00 75.31 H new ATOM 0 HB3 ALA A 92 -3.556 -2.358 -24.812 1.00 75.31 H new ATOM 1274 N GLU A 93 -2.996 -5.692 -23.213 1.00 72.20 N ATOM 1275 CA GLU A 93 -3.849 -6.558 -22.408 1.00 30.35 C ATOM 1276 C GLU A 93 -4.049 -5.978 -21.010 1.00 52.25 C ATOM 1277 O GLU A 93 -3.355 -5.044 -20.610 1.00 13.21 O ATOM 1278 CB GLU A 93 -3.242 -7.959 -22.308 1.00 22.15 C ATOM 1279 CG GLU A 93 -3.686 -8.896 -23.418 1.00 54.11 C ATOM 1280 CD GLU A 93 -4.810 -9.819 -22.988 1.00 51.20 C ATOM 1281 OE1 GLU A 93 -4.571 -11.041 -22.898 1.00 73.41 O ATOM 1282 OE2 GLU A 93 -5.928 -9.319 -22.742 1.00 24.12 O ATOM 0 H GLU A 93 -2.035 -5.616 -22.879 1.00 72.20 H new ATOM 0 HA GLU A 93 -4.820 -6.625 -22.898 1.00 30.35 H new ATOM 0 HB2 GLU A 93 -2.155 -7.877 -22.327 1.00 22.15 H new ATOM 0 HB3 GLU A 93 -3.512 -8.395 -21.346 1.00 22.15 H new ATOM 0 HG2 GLU A 93 -4.012 -8.308 -24.276 1.00 54.11 H new ATOM 0 HG3 GLU A 93 -2.835 -9.494 -23.746 1.00 54.11 H new ATOM 1289 N MET A 94 -5.003 -6.538 -20.274 1.00 73.34 N ATOM 1290 CA MET A 94 -5.295 -6.077 -18.922 1.00 62.10 C ATOM 1291 C MET A 94 -4.724 -7.039 -17.885 1.00 34.22 C ATOM 1292 O MET A 94 -4.490 -8.213 -18.174 1.00 41.20 O ATOM 1293 CB MET A 94 -6.805 -5.932 -18.724 1.00 41.01 C ATOM 1294 CG MET A 94 -7.195 -4.719 -17.896 1.00 14.24 C ATOM 1295 SD MET A 94 -8.972 -4.618 -17.606 1.00 52.02 S ATOM 1296 CE MET A 94 -9.019 -3.592 -16.139 1.00 24.34 C ATOM 0 H MET A 94 -5.587 -7.312 -20.591 1.00 73.34 H new ATOM 0 HA MET A 94 -4.824 -5.103 -18.787 1.00 62.10 H new ATOM 0 HB2 MET A 94 -7.286 -5.866 -19.700 1.00 41.01 H new ATOM 0 HB3 MET A 94 -7.188 -6.831 -18.240 1.00 41.01 H new ATOM 0 HG2 MET A 94 -6.676 -4.756 -16.938 1.00 14.24 H new ATOM 0 HG3 MET A 94 -6.862 -3.814 -18.405 1.00 14.24 H new ATOM 0 HE1 MET A 94 -10.055 -3.439 -15.835 1.00 24.34 H new ATOM 0 HE2 MET A 94 -8.474 -4.084 -15.333 1.00 24.34 H new ATOM 0 HE3 MET A 94 -8.558 -2.628 -16.354 1.00 24.34 H new ATOM 1306 N LYS A 95 -4.503 -6.535 -16.676 1.00 22.24 N ATOM 1307 CA LYS A 95 -3.961 -7.349 -15.594 1.00 63.43 C ATOM 1308 C LYS A 95 -4.913 -8.486 -15.239 1.00 75.41 C ATOM 1309 O LYS A 95 -4.485 -9.610 -14.975 1.00 21.32 O ATOM 1310 CB LYS A 95 -3.699 -6.485 -14.359 1.00 41.31 C ATOM 1311 CG LYS A 95 -4.928 -5.743 -13.864 1.00 54.32 C ATOM 1312 CD LYS A 95 -4.552 -4.576 -12.967 1.00 1.14 C ATOM 1313 CE LYS A 95 -5.548 -3.434 -13.090 1.00 15.40 C ATOM 1314 NZ LYS A 95 -5.159 -2.265 -12.254 1.00 4.42 N ATOM 0 H LYS A 95 -4.691 -5.566 -16.420 1.00 22.24 H new ATOM 0 HA LYS A 95 -3.019 -7.780 -15.934 1.00 63.43 H new ATOM 0 HB2 LYS A 95 -3.320 -7.118 -13.557 1.00 41.31 H new ATOM 0 HB3 LYS A 95 -2.917 -5.762 -14.591 1.00 41.31 H new ATOM 0 HG2 LYS A 95 -5.501 -5.378 -14.716 1.00 54.32 H new ATOM 0 HG3 LYS A 95 -5.573 -6.430 -13.317 1.00 54.32 H new ATOM 0 HD2 LYS A 95 -4.508 -4.912 -11.931 1.00 1.14 H new ATOM 0 HD3 LYS A 95 -3.555 -4.221 -13.229 1.00 1.14 H new ATOM 0 HE2 LYS A 95 -5.620 -3.126 -14.133 1.00 15.40 H new ATOM 0 HE3 LYS A 95 -6.537 -3.781 -12.791 1.00 15.40 H new ATOM 0 HZ1 LYS A 95 -5.864 -1.508 -12.366 1.00 4.42 H new ATOM 0 HZ2 LYS A 95 -5.115 -2.552 -11.255 1.00 4.42 H new ATOM 0 HZ3 LYS A 95 -4.227 -1.917 -12.556 1.00 4.42 H new ATOM 1328 N THR A 96 -6.209 -8.188 -15.236 1.00 50.00 N ATOM 1329 CA THR A 96 -7.222 -9.185 -14.914 1.00 12.20 C ATOM 1330 C THR A 96 -7.123 -10.390 -15.842 1.00 44.23 C ATOM 1331 O THR A 96 -7.190 -11.537 -15.398 1.00 43.44 O ATOM 1332 CB THR A 96 -8.642 -8.594 -15.009 1.00 24.03 C ATOM 1333 OG1 THR A 96 -8.743 -7.429 -14.183 1.00 13.40 O ATOM 1334 CG2 THR A 96 -9.683 -9.617 -14.581 1.00 72.13 C ATOM 0 H THR A 96 -6.581 -7.264 -15.453 1.00 50.00 H new ATOM 0 HA THR A 96 -7.036 -9.504 -13.888 1.00 12.20 H new ATOM 0 HB THR A 96 -8.830 -8.320 -16.047 1.00 24.03 H new ATOM 0 HG1 THR A 96 -9.648 -7.058 -14.250 1.00 13.40 H new ATOM 0 HG21 THR A 96 -10.678 -9.177 -14.656 1.00 72.13 H new ATOM 0 HG22 THR A 96 -9.622 -10.491 -15.230 1.00 72.13 H new ATOM 0 HG23 THR A 96 -9.496 -9.917 -13.550 1.00 72.13 H new ATOM 1342 N THR A 97 -6.961 -10.124 -17.135 1.00 13.31 N ATOM 1343 CA THR A 97 -6.853 -11.186 -18.126 1.00 62.43 C ATOM 1344 C THR A 97 -5.732 -12.157 -17.772 1.00 3.43 C ATOM 1345 O THR A 97 -5.963 -13.355 -17.608 1.00 52.14 O ATOM 1346 CB THR A 97 -6.597 -10.617 -19.535 1.00 12.05 C ATOM 1347 OG1 THR A 97 -7.070 -9.267 -19.610 1.00 61.55 O ATOM 1348 CG2 THR A 97 -7.289 -11.462 -20.594 1.00 24.24 C ATOM 0 H THR A 97 -6.902 -9.181 -17.519 1.00 13.31 H new ATOM 0 HA THR A 97 -7.805 -11.717 -18.124 1.00 62.43 H new ATOM 0 HB THR A 97 -5.523 -10.637 -19.722 1.00 12.05 H new ATOM 0 HG1 THR A 97 -6.883 -8.904 -20.501 1.00 61.55 H new ATOM 0 HG21 THR A 97 -7.094 -11.041 -21.580 1.00 24.24 H new ATOM 0 HG22 THR A 97 -6.907 -12.482 -20.553 1.00 24.24 H new ATOM 0 HG23 THR A 97 -8.363 -11.470 -20.409 1.00 24.24 H new ATOM 1356 N TYR A 98 -4.517 -11.632 -17.653 1.00 72.15 N ATOM 1357 CA TYR A 98 -3.359 -12.453 -17.320 1.00 13.13 C ATOM 1358 C TYR A 98 -3.609 -13.256 -16.046 1.00 53.55 C ATOM 1359 O TYR A 98 -3.345 -14.457 -15.994 1.00 21.41 O ATOM 1360 CB TYR A 98 -2.118 -11.575 -17.147 1.00 73.42 C ATOM 1361 CG TYR A 98 -1.276 -11.465 -18.398 1.00 72.11 C ATOM 1362 CD1 TYR A 98 0.097 -11.673 -18.355 1.00 61.00 C ATOM 1363 CD2 TYR A 98 -1.853 -11.152 -19.623 1.00 31.14 C ATOM 1364 CE1 TYR A 98 0.871 -11.573 -19.495 1.00 52.31 C ATOM 1365 CE2 TYR A 98 -1.087 -11.051 -20.768 1.00 34.10 C ATOM 1366 CZ TYR A 98 0.274 -11.262 -20.699 1.00 71.01 C ATOM 1367 OH TYR A 98 1.040 -11.161 -21.838 1.00 3.14 O ATOM 0 H TYR A 98 -4.309 -10.642 -17.782 1.00 72.15 H new ATOM 0 HA TYR A 98 -3.191 -13.150 -18.141 1.00 13.13 H new ATOM 0 HB2 TYR A 98 -2.429 -10.577 -16.840 1.00 73.42 H new ATOM 0 HB3 TYR A 98 -1.506 -11.980 -16.341 1.00 73.42 H new ATOM 0 HD1 TYR A 98 0.567 -11.917 -17.414 1.00 61.00 H new ATOM 0 HD2 TYR A 98 -2.918 -10.985 -19.681 1.00 31.14 H new ATOM 0 HE1 TYR A 98 1.937 -11.737 -19.444 1.00 52.31 H new ATOM 0 HE2 TYR A 98 -1.552 -10.808 -21.712 1.00 34.10 H new ATOM 0 HH TYR A 98 0.466 -10.937 -22.600 1.00 3.14 H new ATOM 1377 N LEU A 99 -4.121 -12.583 -15.022 1.00 11.51 N ATOM 1378 CA LEU A 99 -4.409 -13.231 -13.747 1.00 63.44 C ATOM 1379 C LEU A 99 -5.303 -14.451 -13.947 1.00 12.33 C ATOM 1380 O LEU A 99 -5.070 -15.506 -13.358 1.00 42.22 O ATOM 1381 CB LEU A 99 -5.078 -12.244 -12.790 1.00 35.32 C ATOM 1382 CG LEU A 99 -4.914 -12.540 -11.298 1.00 53.55 C ATOM 1383 CD1 LEU A 99 -3.833 -11.657 -10.695 1.00 43.25 C ATOM 1384 CD2 LEU A 99 -6.234 -12.343 -10.567 1.00 75.25 C ATOM 0 H LEU A 99 -4.345 -11.588 -15.049 1.00 11.51 H new ATOM 0 HA LEU A 99 -3.465 -13.562 -13.314 1.00 63.44 H new ATOM 0 HB2 LEU A 99 -4.679 -11.249 -12.989 1.00 35.32 H new ATOM 0 HB3 LEU A 99 -6.143 -12.212 -13.019 1.00 35.32 H new ATOM 0 HG LEU A 99 -4.610 -13.581 -11.185 1.00 53.55 H new ATOM 0 HD11 LEU A 99 -3.730 -11.881 -9.633 1.00 43.25 H new ATOM 0 HD12 LEU A 99 -2.885 -11.846 -11.199 1.00 43.25 H new ATOM 0 HD13 LEU A 99 -4.107 -10.609 -10.820 1.00 43.25 H new ATOM 0 HD21 LEU A 99 -6.099 -12.558 -9.507 1.00 75.25 H new ATOM 0 HD22 LEU A 99 -6.567 -11.312 -10.689 1.00 75.25 H new ATOM 0 HD23 LEU A 99 -6.983 -13.018 -10.981 1.00 75.25 H new ATOM 1396 N GLU A 100 -6.326 -14.298 -14.782 1.00 12.32 N ATOM 1397 CA GLU A 100 -7.254 -15.387 -15.059 1.00 74.53 C ATOM 1398 C GLU A 100 -6.555 -16.521 -15.804 1.00 74.20 C ATOM 1399 O GLU A 100 -6.819 -17.698 -15.554 1.00 2.50 O ATOM 1400 CB GLU A 100 -8.442 -14.879 -15.880 1.00 23.31 C ATOM 1401 CG GLU A 100 -9.788 -15.360 -15.365 1.00 21.10 C ATOM 1402 CD GLU A 100 -10.883 -15.256 -16.409 1.00 23.50 C ATOM 1403 OE1 GLU A 100 -10.637 -15.655 -17.567 1.00 31.11 O ATOM 1404 OE2 GLU A 100 -11.984 -14.777 -16.069 1.00 13.02 O ATOM 0 H GLU A 100 -6.533 -13.431 -15.278 1.00 12.32 H new ATOM 0 HA GLU A 100 -7.618 -15.771 -14.106 1.00 74.53 H new ATOM 0 HB2 GLU A 100 -8.432 -13.789 -15.882 1.00 23.31 H new ATOM 0 HB3 GLU A 100 -8.322 -15.201 -16.914 1.00 23.31 H new ATOM 0 HG2 GLU A 100 -9.699 -16.396 -15.039 1.00 21.10 H new ATOM 0 HG3 GLU A 100 -10.069 -14.774 -14.490 1.00 21.10 H new ATOM 1411 N ARG A 101 -5.664 -16.158 -16.720 1.00 62.13 N ATOM 1412 CA ARG A 101 -4.928 -17.144 -17.503 1.00 40.30 C ATOM 1413 C ARG A 101 -4.086 -18.038 -16.598 1.00 30.22 C ATOM 1414 O ARG A 101 -4.219 -19.262 -16.619 1.00 22.15 O ATOM 1415 CB ARG A 101 -4.030 -16.446 -18.527 1.00 32.34 C ATOM 1416 CG ARG A 101 -4.449 -16.687 -19.968 1.00 25.11 C ATOM 1417 CD ARG A 101 -5.433 -15.631 -20.446 1.00 61.31 C ATOM 1418 NE ARG A 101 -4.925 -14.892 -21.599 1.00 13.23 N ATOM 1419 CZ ARG A 101 -4.954 -15.359 -22.842 1.00 11.40 C ATOM 1420 NH1 ARG A 101 -5.464 -16.557 -23.092 1.00 43.32 N ATOM 1421 NH2 ARG A 101 -4.473 -14.626 -23.838 1.00 60.03 N ATOM 0 H ARG A 101 -5.434 -15.189 -16.939 1.00 62.13 H new ATOM 0 HA ARG A 101 -5.651 -17.767 -18.029 1.00 40.30 H new ATOM 0 HB2 ARG A 101 -4.034 -15.374 -18.331 1.00 32.34 H new ATOM 0 HB3 ARG A 101 -3.005 -16.790 -18.393 1.00 32.34 H new ATOM 0 HG2 ARG A 101 -3.568 -16.682 -20.610 1.00 25.11 H new ATOM 0 HG3 ARG A 101 -4.902 -17.674 -20.056 1.00 25.11 H new ATOM 0 HD2 ARG A 101 -6.377 -16.108 -20.708 1.00 61.31 H new ATOM 0 HD3 ARG A 101 -5.642 -14.936 -19.633 1.00 61.31 H new ATOM 0 HE ARG A 101 -4.526 -13.967 -21.441 1.00 13.23 H new ATOM 0 HH11 ARG A 101 -5.835 -17.123 -22.329 1.00 43.32 H new ATOM 0 HH12 ARG A 101 -5.485 -16.913 -24.048 1.00 43.32 H new ATOM 0 HH21 ARG A 101 -4.081 -13.704 -23.649 1.00 60.03 H new ATOM 0 HH22 ARG A 101 -4.495 -14.985 -24.792 1.00 60.03 H new ATOM 1435 N LYS A 102 -3.219 -17.419 -15.804 1.00 62.11 N ATOM 1436 CA LYS A 102 -2.355 -18.157 -14.891 1.00 21.35 C ATOM 1437 C LYS A 102 -3.181 -18.962 -13.892 1.00 25.30 C ATOM 1438 O LYS A 102 -2.865 -20.115 -13.598 1.00 1.33 O ATOM 1439 CB LYS A 102 -1.428 -17.196 -14.144 1.00 5.12 C ATOM 1440 CG LYS A 102 -2.165 -16.110 -13.379 1.00 61.23 C ATOM 1441 CD LYS A 102 -1.209 -15.059 -12.842 1.00 45.32 C ATOM 1442 CE LYS A 102 -0.270 -15.641 -11.797 1.00 20.04 C ATOM 1443 NZ LYS A 102 -0.353 -14.904 -10.505 1.00 45.02 N ATOM 0 H LYS A 102 -3.096 -16.407 -15.775 1.00 62.11 H new ATOM 0 HA LYS A 102 -1.753 -18.849 -15.480 1.00 21.35 H new ATOM 0 HB2 LYS A 102 -0.813 -17.766 -13.447 1.00 5.12 H new ATOM 0 HB3 LYS A 102 -0.750 -16.729 -14.859 1.00 5.12 H new ATOM 0 HG2 LYS A 102 -2.898 -15.637 -14.033 1.00 61.23 H new ATOM 0 HG3 LYS A 102 -2.717 -16.557 -12.552 1.00 61.23 H new ATOM 0 HD2 LYS A 102 -0.627 -14.642 -13.664 1.00 45.32 H new ATOM 0 HD3 LYS A 102 -1.777 -14.238 -12.405 1.00 45.32 H new ATOM 0 HE2 LYS A 102 -0.515 -16.690 -11.633 1.00 20.04 H new ATOM 0 HE3 LYS A 102 0.754 -15.607 -12.169 1.00 20.04 H new ATOM 0 HZ1 LYS A 102 0.302 -15.331 -9.819 1.00 45.02 H new ATOM 0 HZ2 LYS A 102 -0.095 -13.908 -10.656 1.00 45.02 H new ATOM 0 HZ3 LYS A 102 -1.324 -14.958 -10.136 1.00 45.02 H new ATOM 1457 N ALA A 103 -4.240 -18.348 -13.375 1.00 43.14 N ATOM 1458 CA ALA A 103 -5.112 -19.009 -12.413 1.00 13.10 C ATOM 1459 C ALA A 103 -5.674 -20.307 -12.982 1.00 60.25 C ATOM 1460 O ALA A 103 -5.709 -21.330 -12.300 1.00 34.41 O ATOM 1461 CB ALA A 103 -6.243 -18.079 -12.000 1.00 12.40 C ATOM 0 H ALA A 103 -4.515 -17.393 -13.607 1.00 43.14 H new ATOM 0 HA ALA A 103 -4.519 -19.256 -11.533 1.00 13.10 H new ATOM 0 HB1 ALA A 103 -6.887 -18.586 -11.281 1.00 12.40 H new ATOM 0 HB2 ALA A 103 -5.827 -17.180 -11.544 1.00 12.40 H new ATOM 0 HB3 ALA A 103 -6.827 -17.804 -12.878 1.00 12.40 H new ATOM 1467 N GLU A 104 -6.112 -20.257 -14.237 1.00 35.25 N ATOM 1468 CA GLU A 104 -6.674 -21.430 -14.896 1.00 70.20 C ATOM 1469 C GLU A 104 -5.592 -22.472 -15.168 1.00 12.34 C ATOM 1470 O GLU A 104 -5.830 -23.673 -15.050 1.00 73.20 O ATOM 1471 CB GLU A 104 -7.352 -21.029 -16.208 1.00 34.53 C ATOM 1472 CG GLU A 104 -8.855 -21.256 -16.210 1.00 2.11 C ATOM 1473 CD GLU A 104 -9.251 -22.537 -16.918 1.00 42.23 C ATOM 1474 OE1 GLU A 104 -10.445 -22.684 -17.253 1.00 41.14 O ATOM 1475 OE2 GLU A 104 -8.367 -23.392 -17.137 1.00 55.34 O ATOM 0 H GLU A 104 -6.088 -19.418 -14.816 1.00 35.25 H new ATOM 0 HA GLU A 104 -7.417 -21.868 -14.230 1.00 70.20 H new ATOM 0 HB2 GLU A 104 -7.152 -19.976 -16.404 1.00 34.53 H new ATOM 0 HB3 GLU A 104 -6.906 -21.595 -17.026 1.00 34.53 H new ATOM 0 HG2 GLU A 104 -9.215 -21.287 -15.182 1.00 2.11 H new ATOM 0 HG3 GLU A 104 -9.346 -20.411 -16.694 1.00 2.11 H new ATOM 1482 N GLU A 105 -4.404 -22.001 -15.532 1.00 3.31 N ATOM 1483 CA GLU A 105 -3.286 -22.891 -15.822 1.00 20.33 C ATOM 1484 C GLU A 105 -2.955 -23.760 -14.612 1.00 31.42 C ATOM 1485 O GLU A 105 -2.895 -24.986 -14.713 1.00 63.20 O ATOM 1486 CB GLU A 105 -2.054 -22.083 -16.235 1.00 14.44 C ATOM 1487 CG GLU A 105 -0.807 -22.929 -16.428 1.00 55.14 C ATOM 1488 CD GLU A 105 0.410 -22.100 -16.789 1.00 50.10 C ATOM 1489 OE1 GLU A 105 0.646 -21.071 -16.121 1.00 34.31 O ATOM 1490 OE2 GLU A 105 1.127 -22.479 -17.739 1.00 34.14 O ATOM 0 H GLU A 105 -4.191 -21.009 -15.633 1.00 3.31 H new ATOM 0 HA GLU A 105 -3.578 -23.541 -16.647 1.00 20.33 H new ATOM 0 HB2 GLU A 105 -2.271 -21.554 -17.163 1.00 14.44 H new ATOM 0 HB3 GLU A 105 -1.855 -21.326 -15.476 1.00 14.44 H new ATOM 0 HG2 GLU A 105 -0.605 -23.485 -15.513 1.00 55.14 H new ATOM 0 HG3 GLU A 105 -0.988 -23.663 -17.213 1.00 55.14 H new ATOM 1497 N ILE A 106 -2.741 -23.117 -13.469 1.00 53.12 N ATOM 1498 CA ILE A 106 -2.417 -23.830 -12.240 1.00 71.43 C ATOM 1499 C ILE A 106 -3.590 -24.687 -11.776 1.00 14.52 C ATOM 1500 O ILE A 106 -3.401 -25.761 -11.206 1.00 1.52 O ATOM 1501 CB ILE A 106 -2.027 -22.858 -11.111 1.00 62.42 C ATOM 1502 CG1 ILE A 106 -1.595 -23.636 -9.866 1.00 12.31 C ATOM 1503 CG2 ILE A 106 -3.187 -21.930 -10.787 1.00 15.21 C ATOM 1504 CD1 ILE A 106 -0.402 -23.031 -9.160 1.00 23.41 C ATOM 0 H ILE A 106 -2.786 -22.103 -13.369 1.00 53.12 H new ATOM 0 HA ILE A 106 -1.566 -24.474 -12.464 1.00 71.43 H new ATOM 0 HB ILE A 106 -1.186 -22.252 -11.447 1.00 62.42 H new ATOM 0 HG12 ILE A 106 -2.432 -23.686 -9.170 1.00 12.31 H new ATOM 0 HG13 ILE A 106 -1.357 -24.660 -10.152 1.00 12.31 H new ATOM 0 HG21 ILE A 106 -2.896 -21.249 -9.987 1.00 15.21 H new ATOM 0 HG22 ILE A 106 -3.452 -21.355 -11.674 1.00 15.21 H new ATOM 0 HG23 ILE A 106 -4.046 -22.520 -10.467 1.00 15.21 H new ATOM 0 HD11 ILE A 106 -0.151 -23.634 -8.287 1.00 23.41 H new ATOM 0 HD12 ILE A 106 0.449 -23.006 -9.840 1.00 23.41 H new ATOM 0 HD13 ILE A 106 -0.643 -22.016 -8.843 1.00 23.41 H new ATOM 1516 N ALA A 107 -4.803 -24.204 -12.025 1.00 52.14 N ATOM 1517 CA ALA A 107 -6.008 -24.927 -11.636 1.00 41.55 C ATOM 1518 C ALA A 107 -6.040 -26.317 -12.262 1.00 1.02 C ATOM 1519 O ALA A 107 -6.474 -27.281 -11.632 1.00 72.13 O ATOM 1520 CB ALA A 107 -7.247 -24.138 -12.033 1.00 74.55 C ATOM 0 H ALA A 107 -4.977 -23.315 -12.494 1.00 52.14 H new ATOM 0 HA ALA A 107 -5.998 -25.046 -10.553 1.00 41.55 H new ATOM 0 HB1 ALA A 107 -8.140 -24.689 -11.737 1.00 74.55 H new ATOM 0 HB2 ALA A 107 -7.237 -23.169 -11.534 1.00 74.55 H new ATOM 0 HB3 ALA A 107 -7.254 -23.990 -13.113 1.00 74.55 H new ATOM 1526 N ALA A 108 -5.578 -26.413 -13.504 1.00 51.33 N ATOM 1527 CA ALA A 108 -5.553 -27.686 -14.214 1.00 1.31 C ATOM 1528 C ALA A 108 -4.579 -28.660 -13.559 1.00 54.13 C ATOM 1529 O ALA A 108 -4.910 -29.823 -13.327 1.00 53.04 O ATOM 1530 CB ALA A 108 -5.184 -27.469 -15.674 1.00 2.30 C ATOM 0 H ALA A 108 -5.216 -25.624 -14.040 1.00 51.33 H new ATOM 0 HA ALA A 108 -6.551 -28.122 -14.164 1.00 1.31 H new ATOM 0 HB1 ALA A 108 -5.169 -28.428 -16.192 1.00 2.30 H new ATOM 0 HB2 ALA A 108 -5.920 -26.815 -16.142 1.00 2.30 H new ATOM 0 HB3 ALA A 108 -4.198 -27.008 -15.735 1.00 2.30 H new ATOM 1536 N LYS A 109 -3.377 -28.179 -13.264 1.00 2.51 N ATOM 1537 CA LYS A 109 -2.354 -29.006 -12.635 1.00 71.12 C ATOM 1538 C LYS A 109 -2.784 -29.433 -11.235 1.00 51.23 C ATOM 1539 O LYS A 109 -2.830 -30.623 -10.924 1.00 62.13 O ATOM 1540 CB LYS A 109 -1.027 -28.247 -12.563 1.00 54.34 C ATOM 1541 CG LYS A 109 -0.440 -27.918 -13.925 1.00 71.31 C ATOM 1542 CD LYS A 109 0.824 -28.718 -14.195 1.00 15.10 C ATOM 1543 CE LYS A 109 0.503 -30.095 -14.755 1.00 74.11 C ATOM 1544 NZ LYS A 109 1.310 -31.162 -14.101 1.00 10.21 N ATOM 0 H LYS A 109 -3.087 -27.219 -13.451 1.00 2.51 H new ATOM 0 HA LYS A 109 -2.221 -29.900 -13.244 1.00 71.12 H new ATOM 0 HB2 LYS A 109 -1.177 -27.321 -12.008 1.00 54.34 H new ATOM 0 HB3 LYS A 109 -0.308 -28.842 -12.001 1.00 54.34 H new ATOM 0 HG2 LYS A 109 -1.177 -28.128 -14.700 1.00 71.31 H new ATOM 0 HG3 LYS A 109 -0.216 -26.853 -13.978 1.00 71.31 H new ATOM 0 HD2 LYS A 109 1.456 -28.176 -14.899 1.00 15.10 H new ATOM 0 HD3 LYS A 109 1.393 -28.823 -13.272 1.00 15.10 H new ATOM 0 HE2 LYS A 109 -0.557 -30.305 -14.616 1.00 74.11 H new ATOM 0 HE3 LYS A 109 0.692 -30.103 -15.828 1.00 74.11 H new ATOM 0 HZ1 LYS A 109 1.062 -32.085 -14.510 1.00 10.21 H new ATOM 0 HZ2 LYS A 109 2.322 -30.976 -14.255 1.00 10.21 H new ATOM 0 HZ3 LYS A 109 1.111 -31.171 -13.080 1.00 10.21 H new ATOM 1558 N LYS A 110 -3.100 -28.454 -10.394 1.00 53.24 N ATOM 1559 CA LYS A 110 -3.530 -28.727 -9.028 1.00 63.11 C ATOM 1560 C LYS A 110 -5.044 -28.895 -8.957 1.00 71.51 C ATOM 1561 O LYS A 110 -5.683 -29.274 -9.939 1.00 50.22 O ATOM 1562 CB LYS A 110 -3.087 -27.596 -8.097 1.00 35.23 C ATOM 1563 CG LYS A 110 -1.621 -27.667 -7.707 1.00 32.50 C ATOM 1564 CD LYS A 110 -0.738 -26.972 -8.729 1.00 60.03 C ATOM 1565 CE LYS A 110 0.666 -27.556 -8.742 1.00 63.30 C ATOM 1566 NZ LYS A 110 1.556 -26.884 -7.755 1.00 33.12 N ATOM 0 H LYS A 110 -3.066 -27.463 -10.635 1.00 53.24 H new ATOM 0 HA LYS A 110 -3.064 -29.658 -8.706 1.00 63.11 H new ATOM 0 HB2 LYS A 110 -3.279 -26.640 -8.584 1.00 35.23 H new ATOM 0 HB3 LYS A 110 -3.696 -27.621 -7.193 1.00 35.23 H new ATOM 0 HG2 LYS A 110 -1.481 -27.205 -6.730 1.00 32.50 H new ATOM 0 HG3 LYS A 110 -1.319 -28.710 -7.613 1.00 32.50 H new ATOM 0 HD2 LYS A 110 -1.182 -27.068 -9.720 1.00 60.03 H new ATOM 0 HD3 LYS A 110 -0.688 -25.907 -8.504 1.00 60.03 H new ATOM 0 HE2 LYS A 110 0.618 -28.622 -8.520 1.00 63.30 H new ATOM 0 HE3 LYS A 110 1.091 -27.457 -9.741 1.00 63.30 H new ATOM 0 HZ1 LYS A 110 2.504 -27.311 -7.795 1.00 33.12 H new ATOM 0 HZ2 LYS A 110 1.623 -25.871 -7.981 1.00 33.12 H new ATOM 0 HZ3 LYS A 110 1.164 -27.000 -6.799 1.00 33.12 H new