USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 812 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 HIS : no HE2:sc= -1.32 K(o=-1.3,f=-4.6!) USER MOD Set 2.1: A 36 HIS : no HE2:sc= 0.78 K(o=2.2,f=-4.1!) USER MOD Set 2.2: A 87 TYR OH : rot -156:sc= 1.42 USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 9 GLN : amide:sc= -0.0563 X(o=-0.81,f=-1.1) USER MOD Set 4.2: A 11 HIS :FLIP no HD1:sc= -0.947 F(o=-1.6,f=-0.81) USER MOD Set 4.3: A 18 THR OG1 : rot 131:sc= 0.197 USER MOD Single : A 2 MET CE :methyl -162:sc= 0 (180deg=-0.0975) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.06) USER MOD Single : A 14 SER OG : rot -40:sc= 0.445 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -102:sc= 0.143 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 118:sc= 0.311 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 89 TYR OH : rot -43:sc= 0.778 USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 1.01 (180deg=0.962) USER MOD Single : A 97 GLN : amide:sc= 0.0927 X(o=0.093,f=-0.032) USER MOD Single : A 102 TYR OH : rot -28:sc= 1.26 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N MET A 2 19.536 -0.935 9.031 1.00 42.35 N ATOM 9 CA MET A 2 18.627 -0.480 7.982 1.00 43.25 C ATOM 10 C MET A 2 18.165 -1.674 7.150 1.00 34.21 C ATOM 11 O MET A 2 18.959 -2.367 6.505 1.00 32.34 O ATOM 12 CB MET A 2 19.224 0.664 7.152 1.00 13.40 C ATOM 13 CG MET A 2 20.417 0.186 6.338 1.00 13.12 C ATOM 14 SD MET A 2 21.760 1.367 6.064 1.00 61.45 S ATOM 15 CE MET A 2 20.828 2.801 5.478 1.00 33.10 C ATOM 0 HA MET A 2 17.740 -0.045 8.442 1.00 43.25 H new ATOM 0 HB2 MET A 2 18.463 1.069 6.485 1.00 13.40 H new ATOM 0 HB3 MET A 2 19.532 1.474 7.813 1.00 13.40 H new ATOM 0 HG2 MET A 2 20.834 -0.691 6.834 1.00 13.12 H new ATOM 0 HG3 MET A 2 20.052 -0.142 5.365 1.00 13.12 H new ATOM 0 HE1 MET A 2 21.502 3.490 4.970 1.00 33.10 H new ATOM 0 HE2 MET A 2 20.054 2.473 4.784 1.00 33.10 H new ATOM 0 HE3 MET A 2 20.365 3.305 6.326 1.00 33.10 H new ATOM 25 N ARG A 3 16.876 -1.965 7.208 1.00 4.13 N ATOM 26 CA ARG A 3 16.236 -3.014 6.460 1.00 3.12 C ATOM 27 C ARG A 3 15.890 -2.406 5.107 1.00 71.24 C ATOM 28 O ARG A 3 14.935 -1.643 4.988 1.00 0.10 O ATOM 29 CB ARG A 3 14.990 -3.498 7.202 1.00 14.31 C ATOM 30 CG ARG A 3 15.203 -4.015 8.628 1.00 60.02 C ATOM 31 CD ARG A 3 14.566 -5.387 8.792 1.00 73.41 C ATOM 32 NE ARG A 3 14.258 -5.625 10.207 1.00 71.31 N ATOM 33 CZ ARG A 3 15.060 -6.191 11.112 1.00 12.32 C ATOM 34 NH1 ARG A 3 16.247 -6.687 10.770 1.00 1.52 N ATOM 35 NH2 ARG A 3 14.655 -6.258 12.371 1.00 32.34 N ATOM 0 H ARG A 3 16.228 -1.451 7.804 1.00 4.13 H new ATOM 0 HA ARG A 3 16.878 -3.886 6.334 1.00 3.12 H new ATOM 0 HB2 ARG A 3 14.275 -2.676 7.240 1.00 14.31 H new ATOM 0 HB3 ARG A 3 14.531 -4.294 6.615 1.00 14.31 H new ATOM 0 HG2 ARG A 3 16.269 -4.073 8.846 1.00 60.02 H new ATOM 0 HG3 ARG A 3 14.769 -3.317 9.344 1.00 60.02 H new ATOM 0 HD2 ARG A 3 13.655 -5.449 8.196 1.00 73.41 H new ATOM 0 HD3 ARG A 3 15.242 -6.158 8.422 1.00 73.41 H new ATOM 0 HE ARG A 3 13.338 -5.328 10.532 1.00 71.31 H new ATOM 0 HH11 ARG A 3 16.560 -6.639 9.800 1.00 1.52 H new ATOM 0 HH12 ARG A 3 16.844 -7.115 11.478 1.00 1.52 H new ATOM 0 HH21 ARG A 3 13.745 -5.881 12.635 1.00 32.34 H new ATOM 0 HH22 ARG A 3 15.253 -6.687 13.077 1.00 32.34 H new ATOM 49 N ILE A 4 16.658 -2.745 4.082 1.00 41.12 N ATOM 50 CA ILE A 4 16.387 -2.370 2.689 1.00 31.43 C ATOM 51 C ILE A 4 15.958 -3.635 1.931 1.00 24.14 C ATOM 52 O ILE A 4 16.749 -4.582 1.904 1.00 34.30 O ATOM 53 CB ILE A 4 17.632 -1.697 2.058 1.00 3.42 C ATOM 54 CG1 ILE A 4 17.983 -0.412 2.845 1.00 2.22 C ATOM 55 CG2 ILE A 4 17.380 -1.402 0.567 1.00 43.43 C ATOM 56 CD1 ILE A 4 19.160 0.398 2.287 1.00 13.10 C ATOM 0 H ILE A 4 17.507 -3.300 4.191 1.00 41.12 H new ATOM 0 HA ILE A 4 15.582 -1.637 2.634 1.00 31.43 H new ATOM 0 HB ILE A 4 18.484 -2.374 2.118 1.00 3.42 H new ATOM 0 HG12 ILE A 4 17.102 0.230 2.872 1.00 2.22 H new ATOM 0 HG13 ILE A 4 18.209 -0.687 3.875 1.00 2.22 H new ATOM 0 HG21 ILE A 4 18.262 -0.929 0.135 1.00 43.43 H new ATOM 0 HG22 ILE A 4 17.174 -2.334 0.041 1.00 43.43 H new ATOM 0 HG23 ILE A 4 16.525 -0.733 0.468 1.00 43.43 H new ATOM 0 HD11 ILE A 4 19.324 1.278 2.910 1.00 13.10 H new ATOM 0 HD12 ILE A 4 20.059 -0.219 2.287 1.00 13.10 H new ATOM 0 HD13 ILE A 4 18.935 0.712 1.268 1.00 13.10 H new ATOM 68 N PRO A 5 14.763 -3.713 1.312 1.00 4.20 N ATOM 69 CA PRO A 5 14.450 -4.798 0.397 1.00 71.32 C ATOM 70 C PRO A 5 15.290 -4.673 -0.858 1.00 60.01 C ATOM 71 O PRO A 5 15.303 -3.632 -1.505 1.00 52.24 O ATOM 72 CB PRO A 5 12.947 -4.723 0.113 1.00 40.12 C ATOM 73 CG PRO A 5 12.605 -3.259 0.371 1.00 51.11 C ATOM 74 CD PRO A 5 13.644 -2.789 1.398 1.00 55.41 C ATOM 0 HA PRO A 5 14.685 -5.773 0.824 1.00 71.32 H new ATOM 0 HB2 PRO A 5 12.718 -5.013 -0.912 1.00 40.12 H new ATOM 0 HB3 PRO A 5 12.382 -5.388 0.766 1.00 40.12 H new ATOM 0 HG2 PRO A 5 12.661 -2.672 -0.546 1.00 51.11 H new ATOM 0 HG3 PRO A 5 11.591 -3.152 0.756 1.00 51.11 H new ATOM 0 HD2 PRO A 5 13.966 -1.770 1.184 1.00 55.41 H new ATOM 0 HD3 PRO A 5 13.221 -2.785 2.403 1.00 55.41 H new ATOM 82 N SER A 6 15.936 -5.774 -1.236 1.00 73.22 N ATOM 83 CA SER A 6 16.494 -5.921 -2.572 1.00 2.43 C ATOM 84 C SER A 6 15.533 -6.674 -3.490 1.00 42.52 C ATOM 85 O SER A 6 15.759 -6.686 -4.703 1.00 75.04 O ATOM 86 CB SER A 6 17.856 -6.606 -2.508 1.00 41.23 C ATOM 87 OG SER A 6 18.782 -5.682 -1.974 1.00 42.21 O ATOM 0 H SER A 6 16.085 -6.580 -0.629 1.00 73.22 H new ATOM 0 HA SER A 6 16.636 -4.927 -2.996 1.00 2.43 H new ATOM 0 HB2 SER A 6 17.805 -7.499 -1.885 1.00 41.23 H new ATOM 0 HB3 SER A 6 18.168 -6.928 -3.501 1.00 41.23 H new ATOM 0 HG SER A 6 19.667 -6.099 -1.921 1.00 42.21 H new ATOM 93 N ALA A 7 14.452 -7.260 -2.953 1.00 4.22 N ATOM 94 CA ALA A 7 13.560 -8.109 -3.722 1.00 64.41 C ATOM 95 C ALA A 7 12.456 -7.329 -4.426 1.00 51.15 C ATOM 96 O ALA A 7 11.381 -7.867 -4.644 1.00 55.24 O ATOM 97 CB ALA A 7 12.963 -9.153 -2.769 1.00 1.40 C ATOM 0 H ALA A 7 14.181 -7.153 -1.975 1.00 4.22 H new ATOM 0 HA ALA A 7 14.134 -8.588 -4.515 1.00 64.41 H new ATOM 0 HB1 ALA A 7 12.287 -9.806 -3.322 1.00 1.40 H new ATOM 0 HB2 ALA A 7 13.765 -9.748 -2.332 1.00 1.40 H new ATOM 0 HB3 ALA A 7 12.412 -8.648 -1.976 1.00 1.40 H new ATOM 103 N ILE A 8 12.774 -6.102 -4.842 1.00 61.32 N ATOM 104 CA ILE A 8 11.846 -5.095 -5.352 1.00 0.44 C ATOM 105 C ILE A 8 11.167 -5.653 -6.610 1.00 42.22 C ATOM 106 O ILE A 8 11.724 -5.561 -7.710 1.00 31.32 O ATOM 107 CB ILE A 8 12.614 -3.774 -5.651 1.00 54.24 C ATOM 108 CG1 ILE A 8 13.443 -3.236 -4.470 1.00 13.50 C ATOM 109 CG2 ILE A 8 11.713 -2.649 -6.197 1.00 63.04 C ATOM 110 CD1 ILE A 8 12.621 -2.914 -3.232 1.00 11.42 C ATOM 0 H ILE A 8 13.738 -5.768 -4.831 1.00 61.32 H new ATOM 0 HA ILE A 8 11.080 -4.867 -4.611 1.00 0.44 H new ATOM 0 HB ILE A 8 13.312 -4.073 -6.433 1.00 54.24 H new ATOM 0 HG12 ILE A 8 14.203 -3.972 -4.208 1.00 13.50 H new ATOM 0 HG13 ILE A 8 13.968 -2.336 -4.789 1.00 13.50 H new ATOM 0 HG21 ILE A 8 12.314 -1.759 -6.383 1.00 63.04 H new ATOM 0 HG22 ILE A 8 11.249 -2.974 -7.128 1.00 63.04 H new ATOM 0 HG23 ILE A 8 10.938 -2.417 -5.467 1.00 63.04 H new ATOM 0 HD11 ILE A 8 13.278 -2.541 -2.446 1.00 11.42 H new ATOM 0 HD12 ILE A 8 11.879 -2.154 -3.476 1.00 11.42 H new ATOM 0 HD13 ILE A 8 12.117 -3.816 -2.885 1.00 11.42 H new ATOM 122 N GLN A 9 9.985 -6.227 -6.461 1.00 20.30 N ATOM 123 CA GLN A 9 9.173 -6.741 -7.542 1.00 0.14 C ATOM 124 C GLN A 9 7.875 -5.971 -7.476 1.00 12.52 C ATOM 125 O GLN A 9 7.094 -6.195 -6.564 1.00 53.41 O ATOM 126 CB GLN A 9 8.935 -8.249 -7.370 1.00 2.44 C ATOM 127 CG GLN A 9 9.983 -9.055 -8.125 1.00 32.00 C ATOM 128 CD GLN A 9 9.724 -10.562 -8.139 1.00 44.55 C ATOM 129 OE1 GLN A 9 9.462 -11.143 -9.189 1.00 0.51 O ATOM 130 NE2 GLN A 9 9.813 -11.242 -7.009 1.00 14.33 N ATOM 0 H GLN A 9 9.551 -6.351 -5.546 1.00 20.30 H new ATOM 0 HA GLN A 9 9.658 -6.616 -8.510 1.00 0.14 H new ATOM 0 HB2 GLN A 9 8.965 -8.507 -6.311 1.00 2.44 H new ATOM 0 HB3 GLN A 9 7.940 -8.508 -7.733 1.00 2.44 H new ATOM 0 HG2 GLN A 9 10.030 -8.696 -9.153 1.00 32.00 H new ATOM 0 HG3 GLN A 9 10.960 -8.870 -7.678 1.00 32.00 H new ATOM 0 HE21 GLN A 9 10.031 -10.758 -6.138 1.00 14.33 H new ATOM 0 HE22 GLN A 9 9.664 -12.251 -7.008 1.00 14.33 H new ATOM 139 N LEU A 10 7.635 -5.059 -8.421 1.00 1.44 N ATOM 140 CA LEU A 10 6.335 -4.396 -8.544 1.00 75.41 C ATOM 141 C LEU A 10 5.301 -5.286 -9.254 1.00 73.45 C ATOM 142 O LEU A 10 4.162 -4.858 -9.415 1.00 74.41 O ATOM 143 CB LEU A 10 6.461 -3.034 -9.255 1.00 1.10 C ATOM 144 CG LEU A 10 6.490 -3.024 -10.796 1.00 34.14 C ATOM 145 CD1 LEU A 10 6.440 -1.567 -11.264 1.00 72.34 C ATOM 146 CD2 LEU A 10 7.755 -3.687 -11.352 1.00 63.34 C ATOM 0 H LEU A 10 8.324 -4.763 -9.112 1.00 1.44 H new ATOM 0 HA LEU A 10 5.976 -4.217 -7.530 1.00 75.41 H new ATOM 0 HB2 LEU A 10 5.627 -2.410 -8.932 1.00 1.10 H new ATOM 0 HB3 LEU A 10 7.374 -2.555 -8.900 1.00 1.10 H new ATOM 0 HG LEU A 10 5.634 -3.591 -11.162 1.00 34.14 H new ATOM 0 HD11 LEU A 10 6.459 -1.534 -12.353 1.00 72.34 H new ATOM 0 HD12 LEU A 10 5.524 -1.100 -10.903 1.00 72.34 H new ATOM 0 HD13 LEU A 10 7.301 -1.028 -10.869 1.00 72.34 H new ATOM 0 HD21 LEU A 10 7.733 -3.657 -12.441 1.00 63.34 H new ATOM 0 HD22 LEU A 10 8.634 -3.152 -10.992 1.00 63.34 H new ATOM 0 HD23 LEU A 10 7.799 -4.724 -11.018 1.00 63.34 H new ATOM 158 N HIS A 11 5.724 -6.455 -9.760 1.00 55.42 N ATOM 159 CA HIS A 11 4.938 -7.450 -10.481 1.00 52.23 C ATOM 160 C HIS A 11 4.017 -6.810 -11.510 1.00 55.31 C ATOM 161 O HIS A 11 2.811 -6.700 -11.296 1.00 12.10 O ATOM 162 CB HIS A 11 4.219 -8.411 -9.530 1.00 31.53 C ATOM 163 CG HIS A 11 5.146 -9.429 -8.939 1.00 13.41 C ATOM 164 ND1 HIS A 11 5.598 -9.474 -7.651 1.00 20.13 N flip ATOM 165 CD2 HIS A 11 5.738 -10.455 -9.630 1.00 14.43 C flip ATOM 166 CE1 HIS A 11 6.444 -10.579 -7.541 1.00 43.42 C flip ATOM 167 NE2 HIS A 11 6.506 -11.126 -8.767 1.00 43.33 N flip ATOM 0 H HIS A 11 6.698 -6.744 -9.665 1.00 55.42 H new ATOM 0 HA HIS A 11 5.633 -8.066 -11.051 1.00 52.23 H new ATOM 0 HB2 HIS A 11 3.750 -7.841 -8.728 1.00 31.53 H new ATOM 0 HB3 HIS A 11 3.420 -8.920 -10.068 1.00 31.53 H new ATOM 0 HD2 HIS A 11 5.607 -10.679 -10.678 1.00 14.43 H new ATOM 0 HE1 HIS A 11 6.947 -10.925 -6.650 1.00 43.42 H new ATOM 0 HE2 HIS A 11 7.065 -11.945 -9.007 1.00 43.33 H new ATOM 175 N LYS A 12 4.571 -6.391 -12.648 1.00 55.43 N ATOM 176 CA LYS A 12 3.861 -5.606 -13.660 1.00 61.14 C ATOM 177 C LYS A 12 2.577 -6.247 -14.202 1.00 12.41 C ATOM 178 O LYS A 12 1.809 -5.529 -14.844 1.00 34.33 O ATOM 179 CB LYS A 12 4.833 -5.241 -14.801 1.00 12.30 C ATOM 180 CG LYS A 12 5.405 -3.817 -14.684 1.00 23.11 C ATOM 181 CD LYS A 12 4.427 -2.745 -15.189 1.00 53.23 C ATOM 182 CE LYS A 12 3.523 -2.153 -14.103 1.00 23.32 C ATOM 183 NZ LYS A 12 2.216 -1.755 -14.659 1.00 14.24 N ATOM 0 H LYS A 12 5.540 -6.590 -12.897 1.00 55.43 H new ATOM 0 HA LYS A 12 3.512 -4.705 -13.155 1.00 61.14 H new ATOM 0 HB2 LYS A 12 5.656 -5.956 -14.810 1.00 12.30 H new ATOM 0 HB3 LYS A 12 4.315 -5.339 -15.755 1.00 12.30 H new ATOM 0 HG2 LYS A 12 5.655 -3.614 -13.643 1.00 23.11 H new ATOM 0 HG3 LYS A 12 6.333 -3.754 -15.253 1.00 23.11 H new ATOM 0 HD2 LYS A 12 4.997 -1.938 -15.650 1.00 53.23 H new ATOM 0 HD3 LYS A 12 3.801 -3.179 -15.969 1.00 53.23 H new ATOM 0 HE2 LYS A 12 3.376 -2.885 -13.309 1.00 23.32 H new ATOM 0 HE3 LYS A 12 4.009 -1.287 -13.653 1.00 23.32 H new ATOM 0 HZ1 LYS A 12 1.747 -1.096 -14.005 1.00 14.24 H new ATOM 0 HZ2 LYS A 12 2.357 -1.289 -15.578 1.00 14.24 H new ATOM 0 HZ3 LYS A 12 1.621 -2.599 -14.786 1.00 14.24 H new ATOM 197 N ALA A 13 2.330 -7.535 -13.949 1.00 41.41 N ATOM 198 CA ALA A 13 1.045 -8.169 -14.188 1.00 55.11 C ATOM 199 C ALA A 13 0.017 -7.672 -13.154 1.00 72.15 C ATOM 200 O ALA A 13 -0.649 -6.671 -13.412 1.00 63.32 O ATOM 201 CB ALA A 13 1.249 -9.686 -14.162 1.00 32.43 C ATOM 0 H ALA A 13 3.031 -8.170 -13.567 1.00 41.41 H new ATOM 0 HA ALA A 13 0.643 -7.903 -15.166 1.00 55.11 H new ATOM 0 HB1 ALA A 13 0.296 -10.184 -14.339 1.00 32.43 H new ATOM 0 HB2 ALA A 13 1.958 -9.971 -14.939 1.00 32.43 H new ATOM 0 HB3 ALA A 13 1.639 -9.984 -13.189 1.00 32.43 H new ATOM 207 N SER A 14 -0.091 -8.271 -11.960 1.00 11.44 N ATOM 208 CA SER A 14 -1.123 -7.886 -10.984 1.00 63.21 C ATOM 209 C SER A 14 -0.816 -6.588 -10.212 1.00 64.35 C ATOM 210 O SER A 14 -1.638 -6.182 -9.394 1.00 60.13 O ATOM 211 CB SER A 14 -1.402 -9.048 -10.021 1.00 4.32 C ATOM 212 OG SER A 14 -2.619 -8.838 -9.323 1.00 24.43 O ATOM 0 H SER A 14 0.522 -9.023 -11.646 1.00 11.44 H new ATOM 0 HA SER A 14 -2.019 -7.666 -11.564 1.00 63.21 H new ATOM 0 HB2 SER A 14 -1.453 -9.984 -10.577 1.00 4.32 H new ATOM 0 HB3 SER A 14 -0.581 -9.143 -9.310 1.00 4.32 H new ATOM 0 HG SER A 14 -2.696 -7.892 -9.078 1.00 24.43 H new ATOM 218 N LYS A 15 0.306 -5.916 -10.483 1.00 22.54 N ATOM 219 CA LYS A 15 0.736 -4.649 -9.888 1.00 1.33 C ATOM 220 C LYS A 15 0.973 -4.784 -8.376 1.00 13.31 C ATOM 221 O LYS A 15 0.515 -3.953 -7.587 1.00 31.32 O ATOM 222 CB LYS A 15 -0.203 -3.483 -10.278 1.00 53.05 C ATOM 223 CG LYS A 15 -0.732 -3.501 -11.736 1.00 72.44 C ATOM 224 CD LYS A 15 -1.327 -2.143 -12.118 1.00 23.43 C ATOM 225 CE LYS A 15 -2.700 -2.205 -12.783 1.00 40.21 C ATOM 226 NZ LYS A 15 -2.675 -2.446 -14.234 1.00 34.54 N ATOM 0 H LYS A 15 0.979 -6.264 -11.166 1.00 22.54 H new ATOM 0 HA LYS A 15 1.706 -4.390 -10.311 1.00 1.33 H new ATOM 0 HB2 LYS A 15 -1.058 -3.488 -9.601 1.00 53.05 H new ATOM 0 HB3 LYS A 15 0.327 -2.545 -10.115 1.00 53.05 H new ATOM 0 HG2 LYS A 15 0.080 -3.752 -12.419 1.00 72.44 H new ATOM 0 HG3 LYS A 15 -1.490 -4.277 -11.843 1.00 72.44 H new ATOM 0 HD2 LYS A 15 -1.402 -1.530 -11.220 1.00 23.43 H new ATOM 0 HD3 LYS A 15 -0.636 -1.637 -12.792 1.00 23.43 H new ATOM 0 HE2 LYS A 15 -3.282 -2.995 -12.308 1.00 40.21 H new ATOM 0 HE3 LYS A 15 -3.222 -1.267 -12.594 1.00 40.21 H new ATOM 0 HZ1 LYS A 15 -3.649 -2.472 -14.598 1.00 34.54 H new ATOM 0 HZ2 LYS A 15 -2.150 -1.681 -14.704 1.00 34.54 H new ATOM 0 HZ3 LYS A 15 -2.209 -3.355 -14.427 1.00 34.54 H new ATOM 240 N THR A 16 1.754 -5.779 -7.965 1.00 54.31 N ATOM 241 CA THR A 16 1.948 -6.162 -6.570 1.00 20.51 C ATOM 242 C THR A 16 3.385 -5.835 -6.122 1.00 43.14 C ATOM 243 O THR A 16 4.319 -6.440 -6.633 1.00 64.42 O ATOM 244 CB THR A 16 1.632 -7.669 -6.461 1.00 15.23 C ATOM 245 OG1 THR A 16 0.400 -7.988 -7.087 1.00 0.11 O ATOM 246 CG2 THR A 16 1.569 -8.126 -5.014 1.00 21.23 C ATOM 0 H THR A 16 2.286 -6.359 -8.614 1.00 54.31 H new ATOM 0 HA THR A 16 1.285 -5.604 -5.909 1.00 20.51 H new ATOM 0 HB THR A 16 2.445 -8.188 -6.969 1.00 15.23 H new ATOM 0 HG1 THR A 16 0.229 -8.949 -7.002 1.00 0.11 H new ATOM 0 HG21 THR A 16 1.344 -9.192 -4.979 1.00 21.23 H new ATOM 0 HG22 THR A 16 2.529 -7.941 -4.532 1.00 21.23 H new ATOM 0 HG23 THR A 16 0.788 -7.573 -4.492 1.00 21.23 H new ATOM 254 N LEU A 17 3.591 -4.873 -5.210 1.00 13.23 N ATOM 255 CA LEU A 17 4.888 -4.543 -4.589 1.00 55.34 C ATOM 256 C LEU A 17 5.303 -5.666 -3.642 1.00 20.11 C ATOM 257 O LEU A 17 4.613 -5.920 -2.657 1.00 33.33 O ATOM 258 CB LEU A 17 4.769 -3.249 -3.767 1.00 21.32 C ATOM 259 CG LEU A 17 6.070 -2.835 -3.009 1.00 64.23 C ATOM 260 CD1 LEU A 17 6.956 -1.916 -3.833 1.00 34.21 C ATOM 261 CD2 LEU A 17 5.711 -2.075 -1.732 1.00 40.22 C ATOM 0 H LEU A 17 2.833 -4.281 -4.871 1.00 13.23 H new ATOM 0 HA LEU A 17 5.626 -4.416 -5.381 1.00 55.34 H new ATOM 0 HB2 LEU A 17 4.479 -2.437 -4.434 1.00 21.32 H new ATOM 0 HB3 LEU A 17 3.964 -3.368 -3.041 1.00 21.32 H new ATOM 0 HG LEU A 17 6.606 -3.760 -2.796 1.00 64.23 H new ATOM 0 HD11 LEU A 17 7.846 -1.659 -3.259 1.00 34.21 H new ATOM 0 HD12 LEU A 17 7.250 -2.422 -4.752 1.00 34.21 H new ATOM 0 HD13 LEU A 17 6.408 -1.007 -4.079 1.00 34.21 H new ATOM 0 HD21 LEU A 17 6.624 -1.790 -1.209 1.00 40.22 H new ATOM 0 HD22 LEU A 17 5.145 -1.179 -1.989 1.00 40.22 H new ATOM 0 HD23 LEU A 17 5.108 -2.713 -1.086 1.00 40.22 H new ATOM 273 N THR A 18 6.443 -6.302 -3.883 1.00 1.13 N ATOM 274 CA THR A 18 6.877 -7.453 -3.108 1.00 40.13 C ATOM 275 C THR A 18 8.277 -7.290 -2.605 1.00 74.44 C ATOM 276 O THR A 18 9.149 -6.777 -3.301 1.00 22.03 O ATOM 277 CB THR A 18 6.725 -8.739 -3.924 1.00 3.41 C ATOM 278 OG1 THR A 18 5.426 -8.789 -4.463 1.00 54.35 O ATOM 279 CG2 THR A 18 7.031 -9.985 -3.077 1.00 52.51 C ATOM 0 H THR A 18 7.092 -6.032 -4.622 1.00 1.13 H new ATOM 0 HA THR A 18 6.232 -7.525 -2.232 1.00 40.13 H new ATOM 0 HB THR A 18 7.450 -8.732 -4.738 1.00 3.41 H new ATOM 0 HG1 THR A 18 5.477 -8.993 -5.420 1.00 54.35 H new ATOM 0 HG21 THR A 18 6.913 -10.879 -3.689 1.00 52.51 H new ATOM 0 HG22 THR A 18 8.055 -9.931 -2.707 1.00 52.51 H new ATOM 0 HG23 THR A 18 6.342 -10.029 -2.233 1.00 52.51 H new ATOM 287 N LEU A 19 8.425 -7.656 -1.333 1.00 60.22 N ATOM 288 CA LEU A 19 9.576 -7.356 -0.533 1.00 75.43 C ATOM 289 C LEU A 19 10.026 -8.660 0.094 1.00 62.21 C ATOM 290 O LEU A 19 9.500 -9.759 -0.113 1.00 31.43 O ATOM 291 CB LEU A 19 9.226 -6.289 0.534 1.00 71.24 C ATOM 292 CG LEU A 19 9.075 -4.859 -0.010 1.00 14.14 C ATOM 293 CD1 LEU A 19 7.947 -4.747 -0.955 1.00 75.41 C ATOM 294 CD2 LEU A 19 8.937 -3.784 1.086 1.00 55.13 C ATOM 0 H LEU A 19 7.715 -8.187 -0.829 1.00 60.22 H new ATOM 0 HA LEU A 19 10.383 -6.936 -1.133 1.00 75.43 H new ATOM 0 HB2 LEU A 19 8.296 -6.577 1.024 1.00 71.24 H new ATOM 0 HB3 LEU A 19 10.003 -6.292 1.299 1.00 71.24 H new ATOM 0 HG LEU A 19 10.010 -4.665 -0.535 1.00 14.14 H new ATOM 0 HD11 LEU A 19 7.875 -3.721 -1.316 1.00 75.41 H new ATOM 0 HD12 LEU A 19 8.111 -5.418 -1.798 1.00 75.41 H new ATOM 0 HD13 LEU A 19 7.021 -5.020 -0.450 1.00 75.41 H new ATOM 0 HD21 LEU A 19 8.835 -2.803 0.622 1.00 55.13 H new ATOM 0 HD22 LEU A 19 8.055 -3.993 1.691 1.00 55.13 H new ATOM 0 HD23 LEU A 19 9.823 -3.795 1.720 1.00 55.13 H new ATOM 306 N ARG A 20 11.073 -8.467 0.856 1.00 3.41 N ATOM 307 CA ARG A 20 11.675 -9.516 1.677 1.00 3.31 C ATOM 308 C ARG A 20 11.931 -9.071 3.113 1.00 23.14 C ATOM 309 O ARG A 20 13.080 -8.765 3.429 1.00 64.15 O ATOM 310 CB ARG A 20 12.930 -10.048 0.964 1.00 3.44 C ATOM 311 CG ARG A 20 13.629 -11.124 1.802 1.00 32.41 C ATOM 312 CD ARG A 20 14.498 -12.036 0.950 1.00 52.21 C ATOM 313 NE ARG A 20 13.859 -13.344 0.876 1.00 54.45 N ATOM 314 CZ ARG A 20 14.284 -14.371 0.129 1.00 34.41 C ATOM 315 NH1 ARG A 20 15.288 -14.193 -0.724 1.00 11.54 N ATOM 316 NH2 ARG A 20 13.726 -15.569 0.232 1.00 41.25 N ATOM 0 H ARG A 20 11.547 -7.567 0.933 1.00 3.41 H new ATOM 0 HA ARG A 20 10.967 -10.338 1.780 1.00 3.31 H new ATOM 0 HB2 ARG A 20 12.653 -10.462 -0.006 1.00 3.44 H new ATOM 0 HB3 ARG A 20 13.620 -9.226 0.774 1.00 3.44 H new ATOM 0 HG2 ARG A 20 14.244 -10.646 2.565 1.00 32.41 H new ATOM 0 HG3 ARG A 20 12.880 -11.720 2.323 1.00 32.41 H new ATOM 0 HD2 ARG A 20 14.622 -11.617 -0.049 1.00 52.21 H new ATOM 0 HD3 ARG A 20 15.494 -12.125 1.384 1.00 52.21 H new ATOM 0 HE ARG A 20 13.021 -13.489 1.439 1.00 54.45 H new ATOM 0 HH11 ARG A 20 15.731 -13.278 -0.807 1.00 11.54 H new ATOM 0 HH12 ARG A 20 15.616 -14.972 -1.295 1.00 11.54 H new ATOM 0 HH21 ARG A 20 12.960 -15.720 0.888 1.00 41.25 H new ATOM 0 HH22 ARG A 20 14.063 -16.340 -0.345 1.00 41.25 H new ATOM 330 N TYR A 21 10.921 -8.985 3.982 1.00 32.41 N ATOM 331 CA TYR A 21 11.118 -8.600 5.383 1.00 42.24 C ATOM 332 C TYR A 21 11.911 -9.700 6.093 1.00 34.12 C ATOM 333 O TYR A 21 11.359 -10.591 6.739 1.00 54.13 O ATOM 334 CB TYR A 21 9.835 -8.255 6.146 1.00 2.10 C ATOM 335 CG TYR A 21 10.059 -7.409 7.406 1.00 40.33 C ATOM 336 CD1 TYR A 21 11.098 -7.670 8.334 1.00 51.34 C ATOM 337 CD2 TYR A 21 9.208 -6.317 7.650 1.00 72.22 C ATOM 338 CE1 TYR A 21 11.283 -6.860 9.468 1.00 13.40 C ATOM 339 CE2 TYR A 21 9.355 -5.535 8.811 1.00 44.12 C ATOM 340 CZ TYR A 21 10.391 -5.800 9.725 1.00 61.43 C ATOM 341 OH TYR A 21 10.537 -5.028 10.833 1.00 40.11 O ATOM 0 H TYR A 21 9.950 -9.179 3.738 1.00 32.41 H new ATOM 0 HA TYR A 21 11.679 -7.665 5.375 1.00 42.24 H new ATOM 0 HB2 TYR A 21 9.161 -7.719 5.477 1.00 2.10 H new ATOM 0 HB3 TYR A 21 9.334 -9.181 6.428 1.00 2.10 H new ATOM 0 HD1 TYR A 21 11.760 -8.507 8.167 1.00 51.34 H new ATOM 0 HD2 TYR A 21 8.432 -6.075 6.938 1.00 72.22 H new ATOM 0 HE1 TYR A 21 12.107 -7.050 10.140 1.00 13.40 H new ATOM 0 HE2 TYR A 21 8.667 -4.725 9.002 1.00 44.12 H new ATOM 0 HH TYR A 21 9.835 -4.344 10.850 1.00 40.11 H new ATOM 351 N GLY A 22 13.228 -9.599 6.003 1.00 4.44 N ATOM 352 CA GLY A 22 14.166 -10.431 6.715 1.00 62.31 C ATOM 353 C GLY A 22 14.253 -11.703 5.916 1.00 52.35 C ATOM 354 O GLY A 22 14.925 -11.725 4.877 1.00 61.14 O ATOM 0 H GLY A 22 13.683 -8.907 5.408 1.00 4.44 H new ATOM 0 HA2 GLY A 22 15.140 -9.948 6.793 1.00 62.31 H new ATOM 0 HA3 GLY A 22 13.825 -10.627 7.732 1.00 62.31 H new ATOM 358 N GLU A 23 13.496 -12.700 6.347 1.00 13.31 N ATOM 359 CA GLU A 23 13.339 -13.942 5.628 1.00 32.31 C ATOM 360 C GLU A 23 12.054 -13.977 4.795 1.00 13.41 C ATOM 361 O GLU A 23 12.013 -14.692 3.792 1.00 53.54 O ATOM 362 CB GLU A 23 13.538 -15.118 6.584 1.00 53.13 C ATOM 363 CG GLU A 23 12.311 -15.469 7.404 1.00 73.13 C ATOM 364 CD GLU A 23 12.409 -16.878 7.992 1.00 25.21 C ATOM 365 OE1 GLU A 23 12.275 -17.840 7.195 1.00 22.20 O ATOM 366 OE2 GLU A 23 12.634 -17.023 9.216 1.00 21.03 O ATOM 0 H GLU A 23 12.968 -12.663 7.219 1.00 13.31 H new ATOM 0 HA GLU A 23 14.120 -14.031 4.873 1.00 32.31 H new ATOM 0 HB2 GLU A 23 13.838 -15.993 6.008 1.00 53.13 H new ATOM 0 HB3 GLU A 23 14.359 -14.885 7.262 1.00 53.13 H new ATOM 0 HG2 GLU A 23 12.193 -14.745 8.210 1.00 73.13 H new ATOM 0 HG3 GLU A 23 11.422 -15.397 6.778 1.00 73.13 H new ATOM 373 N ASP A 24 11.036 -13.218 5.211 1.00 51.15 N ATOM 374 CA ASP A 24 9.633 -13.486 4.867 1.00 75.41 C ATOM 375 C ASP A 24 9.190 -12.706 3.627 1.00 15.43 C ATOM 376 O ASP A 24 9.734 -11.637 3.334 1.00 44.13 O ATOM 377 CB ASP A 24 8.710 -13.095 6.032 1.00 64.42 C ATOM 378 CG ASP A 24 8.754 -14.031 7.239 1.00 2.32 C ATOM 379 OD1 ASP A 24 8.693 -15.268 7.071 1.00 33.21 O ATOM 380 OD2 ASP A 24 8.775 -13.506 8.377 1.00 53.33 O ATOM 0 H ASP A 24 11.161 -12.395 5.800 1.00 51.15 H new ATOM 0 HA ASP A 24 9.560 -14.554 4.662 1.00 75.41 H new ATOM 0 HB2 ASP A 24 8.974 -12.090 6.362 1.00 64.42 H new ATOM 0 HB3 ASP A 24 7.685 -13.051 5.664 1.00 64.42 H new ATOM 385 N SER A 25 8.148 -13.191 2.940 1.00 73.22 N ATOM 386 CA SER A 25 7.709 -12.699 1.638 1.00 15.30 C ATOM 387 C SER A 25 6.285 -12.148 1.675 1.00 60.33 C ATOM 388 O SER A 25 5.314 -12.906 1.720 1.00 13.21 O ATOM 389 CB SER A 25 7.838 -13.785 0.557 1.00 43.24 C ATOM 390 OG SER A 25 8.244 -15.059 1.048 1.00 71.34 O ATOM 0 H SER A 25 7.574 -13.958 3.289 1.00 73.22 H new ATOM 0 HA SER A 25 8.372 -11.873 1.380 1.00 15.30 H new ATOM 0 HB2 SER A 25 6.878 -13.893 0.052 1.00 43.24 H new ATOM 0 HB3 SER A 25 8.557 -13.452 -0.192 1.00 43.24 H new ATOM 0 HG SER A 25 8.301 -15.694 0.303 1.00 71.34 H new ATOM 396 N TYR A 26 6.171 -10.822 1.639 1.00 61.45 N ATOM 397 CA TYR A 26 4.924 -10.068 1.673 1.00 20.11 C ATOM 398 C TYR A 26 4.781 -9.295 0.361 1.00 12.32 C ATOM 399 O TYR A 26 5.691 -8.542 -0.009 1.00 20.23 O ATOM 400 CB TYR A 26 4.925 -9.126 2.887 1.00 72.53 C ATOM 401 CG TYR A 26 5.420 -9.721 4.197 1.00 60.25 C ATOM 402 CD1 TYR A 26 5.047 -11.022 4.577 1.00 12.00 C ATOM 403 CD2 TYR A 26 6.268 -8.975 5.033 1.00 2.14 C ATOM 404 CE1 TYR A 26 5.458 -11.561 5.807 1.00 1.44 C ATOM 405 CE2 TYR A 26 6.637 -9.479 6.292 1.00 15.44 C ATOM 406 CZ TYR A 26 6.227 -10.771 6.692 1.00 3.44 C ATOM 407 OH TYR A 26 6.606 -11.230 7.916 1.00 65.32 O ATOM 0 H TYR A 26 6.989 -10.215 1.582 1.00 61.45 H new ATOM 0 HA TYR A 26 4.072 -10.740 1.775 1.00 20.11 H new ATOM 0 HB2 TYR A 26 5.543 -8.260 2.649 1.00 72.53 H new ATOM 0 HB3 TYR A 26 3.909 -8.761 3.038 1.00 72.53 H new ATOM 0 HD1 TYR A 26 4.436 -11.616 3.914 1.00 12.00 H new ATOM 0 HD2 TYR A 26 6.637 -8.013 4.708 1.00 2.14 H new ATOM 0 HE1 TYR A 26 5.188 -12.572 6.075 1.00 1.44 H new ATOM 0 HE2 TYR A 26 7.237 -8.876 6.957 1.00 15.44 H new ATOM 0 HH TYR A 26 7.130 -10.541 8.376 1.00 65.32 H new ATOM 417 N ASP A 27 3.657 -9.485 -0.329 1.00 3.33 N ATOM 418 CA ASP A 27 3.413 -9.116 -1.721 1.00 0.12 C ATOM 419 C ASP A 27 2.136 -8.283 -1.823 1.00 35.21 C ATOM 420 O ASP A 27 1.027 -8.766 -2.050 1.00 2.13 O ATOM 421 CB ASP A 27 3.394 -10.369 -2.606 1.00 41.43 C ATOM 422 CG ASP A 27 2.197 -11.295 -2.426 1.00 44.12 C ATOM 423 OD1 ASP A 27 1.805 -11.595 -1.274 1.00 63.11 O ATOM 424 OD2 ASP A 27 1.747 -11.830 -3.465 1.00 34.24 O ATOM 0 H ASP A 27 2.843 -9.928 0.096 1.00 3.33 H new ATOM 0 HA ASP A 27 4.226 -8.490 -2.090 1.00 0.12 H new ATOM 0 HB2 ASP A 27 3.431 -10.054 -3.649 1.00 41.43 H new ATOM 0 HB3 ASP A 27 4.302 -10.940 -2.413 1.00 41.43 H new ATOM 429 N LEU A 28 2.295 -6.989 -1.580 1.00 60.53 N ATOM 430 CA LEU A 28 1.198 -6.090 -1.281 1.00 4.01 C ATOM 431 C LEU A 28 0.663 -5.481 -2.576 1.00 12.23 C ATOM 432 O LEU A 28 1.445 -5.165 -3.479 1.00 14.23 O ATOM 433 CB LEU A 28 1.637 -4.950 -0.352 1.00 53.05 C ATOM 434 CG LEU A 28 2.883 -5.188 0.512 1.00 34.43 C ATOM 435 CD1 LEU A 28 3.163 -3.914 1.295 1.00 14.12 C ATOM 436 CD2 LEU A 28 2.781 -6.371 1.486 1.00 24.23 C ATOM 0 H LEU A 28 3.206 -6.531 -1.586 1.00 60.53 H new ATOM 0 HA LEU A 28 0.424 -6.672 -0.780 1.00 4.01 H new ATOM 0 HB2 LEU A 28 1.814 -4.065 -0.964 1.00 53.05 H new ATOM 0 HB3 LEU A 28 0.805 -4.717 0.312 1.00 53.05 H new ATOM 0 HG LEU A 28 3.692 -5.447 -0.171 1.00 34.43 H new ATOM 0 HD11 LEU A 28 4.046 -4.057 1.919 1.00 14.12 H new ATOM 0 HD12 LEU A 28 3.338 -3.092 0.601 1.00 14.12 H new ATOM 0 HD13 LEU A 28 2.306 -3.680 1.927 1.00 14.12 H new ATOM 0 HD21 LEU A 28 3.709 -6.458 2.051 1.00 24.23 H new ATOM 0 HD22 LEU A 28 1.952 -6.206 2.174 1.00 24.23 H new ATOM 0 HD23 LEU A 28 2.610 -7.290 0.926 1.00 24.23 H new ATOM 448 N PRO A 29 -0.642 -5.222 -2.665 1.00 74.51 N ATOM 449 CA PRO A 29 -1.239 -4.664 -3.868 1.00 0.03 C ATOM 450 C PRO A 29 -0.964 -3.156 -3.963 1.00 63.22 C ATOM 451 O PRO A 29 -0.844 -2.472 -2.942 1.00 42.04 O ATOM 452 CB PRO A 29 -2.722 -4.982 -3.708 1.00 73.33 C ATOM 453 CG PRO A 29 -2.944 -4.920 -2.199 1.00 40.11 C ATOM 454 CD PRO A 29 -1.638 -5.495 -1.640 1.00 3.12 C ATOM 0 HA PRO A 29 -0.833 -5.077 -4.791 1.00 0.03 H new ATOM 0 HB2 PRO A 29 -3.346 -4.260 -4.235 1.00 73.33 H new ATOM 0 HB3 PRO A 29 -2.966 -5.966 -4.109 1.00 73.33 H new ATOM 0 HG2 PRO A 29 -3.116 -3.899 -1.857 1.00 40.11 H new ATOM 0 HG3 PRO A 29 -3.809 -5.509 -1.893 1.00 40.11 H new ATOM 0 HD2 PRO A 29 -1.371 -5.024 -0.694 1.00 3.12 H new ATOM 0 HD3 PRO A 29 -1.726 -6.565 -1.449 1.00 3.12 H new ATOM 462 N ALA A 30 -0.931 -2.611 -5.184 1.00 42.12 N ATOM 463 CA ALA A 30 -0.801 -1.174 -5.454 1.00 44.05 C ATOM 464 C ALA A 30 -1.795 -0.353 -4.607 1.00 61.14 C ATOM 465 O ALA A 30 -1.432 0.668 -4.018 1.00 2.23 O ATOM 466 CB ALA A 30 -1.033 -0.947 -6.947 1.00 54.43 C ATOM 0 H ALA A 30 -0.996 -3.171 -6.034 1.00 42.12 H new ATOM 0 HA ALA A 30 0.198 -0.837 -5.178 1.00 44.05 H new ATOM 0 HB1 ALA A 30 -0.941 0.116 -7.172 1.00 54.43 H new ATOM 0 HB2 ALA A 30 -0.292 -1.504 -7.519 1.00 54.43 H new ATOM 0 HB3 ALA A 30 -2.032 -1.290 -7.216 1.00 54.43 H new ATOM 472 N GLU A 31 -3.046 -0.813 -4.518 1.00 62.15 N ATOM 473 CA GLU A 31 -4.115 -0.186 -3.754 1.00 35.44 C ATOM 474 C GLU A 31 -3.747 -0.001 -2.284 1.00 1.24 C ATOM 475 O GLU A 31 -3.938 1.094 -1.760 1.00 14.42 O ATOM 476 CB GLU A 31 -5.434 -0.967 -3.900 1.00 34.32 C ATOM 477 CG GLU A 31 -5.430 -2.337 -3.205 1.00 13.21 C ATOM 478 CD GLU A 31 -6.388 -3.342 -3.836 1.00 31.30 C ATOM 479 OE1 GLU A 31 -6.004 -4.022 -4.811 1.00 3.42 O ATOM 480 OE2 GLU A 31 -7.513 -3.501 -3.310 1.00 14.02 O ATOM 0 H GLU A 31 -3.347 -1.663 -4.995 1.00 62.15 H new ATOM 0 HA GLU A 31 -4.260 0.810 -4.173 1.00 35.44 H new ATOM 0 HB2 GLU A 31 -6.247 -0.366 -3.492 1.00 34.32 H new ATOM 0 HB3 GLU A 31 -5.644 -1.110 -4.960 1.00 34.32 H new ATOM 0 HG2 GLU A 31 -4.420 -2.745 -3.230 1.00 13.21 H new ATOM 0 HG3 GLU A 31 -5.694 -2.204 -2.156 1.00 13.21 H new ATOM 487 N PHE A 32 -3.207 -1.031 -1.618 1.00 63.24 N ATOM 488 CA PHE A 32 -2.890 -1.004 -0.192 1.00 13.44 C ATOM 489 C PHE A 32 -1.910 0.131 0.086 1.00 55.02 C ATOM 490 O PHE A 32 -2.055 0.876 1.058 1.00 73.35 O ATOM 491 CB PHE A 32 -2.309 -2.356 0.234 1.00 62.45 C ATOM 492 CG PHE A 32 -1.611 -2.375 1.578 1.00 4.10 C ATOM 493 CD1 PHE A 32 -2.349 -2.420 2.777 1.00 41.01 C ATOM 494 CD2 PHE A 32 -0.204 -2.360 1.623 1.00 62.41 C ATOM 495 CE1 PHE A 32 -1.683 -2.467 4.012 1.00 61.53 C ATOM 496 CE2 PHE A 32 0.459 -2.408 2.860 1.00 40.44 C ATOM 497 CZ PHE A 32 -0.278 -2.471 4.049 1.00 23.22 C ATOM 0 H PHE A 32 -2.976 -1.918 -2.066 1.00 63.24 H new ATOM 0 HA PHE A 32 -3.796 -0.828 0.388 1.00 13.44 H new ATOM 0 HB2 PHE A 32 -3.116 -3.088 0.254 1.00 62.45 H new ATOM 0 HB3 PHE A 32 -1.601 -2.683 -0.527 1.00 62.45 H new ATOM 0 HD1 PHE A 32 -3.429 -2.418 2.746 1.00 41.01 H new ATOM 0 HD2 PHE A 32 0.365 -2.312 0.707 1.00 62.41 H new ATOM 0 HE1 PHE A 32 -2.249 -2.500 4.931 1.00 61.53 H new ATOM 0 HE2 PHE A 32 1.538 -2.396 2.894 1.00 40.44 H new ATOM 0 HZ PHE A 32 0.235 -2.523 4.998 1.00 23.22 H new ATOM 507 N LEU A 33 -0.912 0.295 -0.782 1.00 42.22 N ATOM 508 CA LEU A 33 0.038 1.387 -0.656 1.00 11.04 C ATOM 509 C LEU A 33 -0.629 2.734 -0.919 1.00 34.20 C ATOM 510 O LEU A 33 -0.322 3.690 -0.217 1.00 64.32 O ATOM 511 CB LEU A 33 1.252 1.138 -1.555 1.00 0.10 C ATOM 512 CG LEU A 33 2.157 0.046 -0.944 1.00 60.54 C ATOM 513 CD1 LEU A 33 2.252 -1.183 -1.850 1.00 24.30 C ATOM 514 CD2 LEU A 33 3.546 0.615 -0.670 1.00 13.00 C ATOM 0 H LEU A 33 -0.745 -0.319 -1.580 1.00 42.22 H new ATOM 0 HA LEU A 33 0.400 1.425 0.371 1.00 11.04 H new ATOM 0 HB2 LEU A 33 0.921 0.832 -2.548 1.00 0.10 H new ATOM 0 HB3 LEU A 33 1.818 2.062 -1.678 1.00 0.10 H new ATOM 0 HG LEU A 33 1.708 -0.276 -0.004 1.00 60.54 H new ATOM 0 HD11 LEU A 33 2.897 -1.928 -1.385 1.00 24.30 H new ATOM 0 HD12 LEU A 33 1.258 -1.605 -1.997 1.00 24.30 H new ATOM 0 HD13 LEU A 33 2.669 -0.893 -2.814 1.00 24.30 H new ATOM 0 HD21 LEU A 33 4.179 -0.161 -0.239 1.00 13.00 H new ATOM 0 HD22 LEU A 33 3.986 0.965 -1.604 1.00 13.00 H new ATOM 0 HD23 LEU A 33 3.467 1.448 0.029 1.00 13.00 H new ATOM 526 N ARG A 34 -1.566 2.839 -1.867 1.00 0.31 N ATOM 527 CA ARG A 34 -2.268 4.097 -2.144 1.00 14.42 C ATOM 528 C ARG A 34 -3.181 4.545 -0.995 1.00 72.42 C ATOM 529 O ARG A 34 -3.527 5.721 -0.936 1.00 4.14 O ATOM 530 CB ARG A 34 -3.031 3.961 -3.477 1.00 71.12 C ATOM 531 CG ARG A 34 -3.862 5.184 -3.911 1.00 63.44 C ATOM 532 CD ARG A 34 -3.148 6.544 -4.027 1.00 44.43 C ATOM 533 NE ARG A 34 -1.681 6.477 -4.217 1.00 20.12 N ATOM 534 CZ ARG A 34 -0.821 7.387 -3.730 1.00 62.51 C ATOM 535 NH1 ARG A 34 -1.280 8.516 -3.201 1.00 24.12 N ATOM 536 NH2 ARG A 34 0.491 7.166 -3.788 1.00 42.31 N ATOM 0 H ARG A 34 -1.858 2.062 -2.460 1.00 0.31 H new ATOM 0 HA ARG A 34 -1.526 4.891 -2.233 1.00 14.42 H new ATOM 0 HB2 ARG A 34 -2.310 3.740 -4.264 1.00 71.12 H new ATOM 0 HB3 ARG A 34 -3.698 3.102 -3.405 1.00 71.12 H new ATOM 0 HG2 ARG A 34 -4.307 4.958 -4.880 1.00 63.44 H new ATOM 0 HG3 ARG A 34 -4.682 5.298 -3.202 1.00 63.44 H new ATOM 0 HD2 ARG A 34 -3.581 7.092 -4.864 1.00 44.43 H new ATOM 0 HD3 ARG A 34 -3.355 7.122 -3.126 1.00 44.43 H new ATOM 0 HE ARG A 34 -1.301 5.694 -4.749 1.00 20.12 H new ATOM 0 HH11 ARG A 34 -2.284 8.691 -3.165 1.00 24.12 H new ATOM 0 HH12 ARG A 34 -0.628 9.208 -2.831 1.00 24.12 H new ATOM 0 HH21 ARG A 34 0.845 6.304 -4.203 1.00 42.31 H new ATOM 0 HH22 ARG A 34 1.142 7.859 -3.418 1.00 42.31 H new ATOM 550 N VAL A 35 -3.582 3.660 -0.086 1.00 43.42 N ATOM 551 CA VAL A 35 -4.498 3.993 1.012 1.00 41.04 C ATOM 552 C VAL A 35 -3.764 4.131 2.346 1.00 75.13 C ATOM 553 O VAL A 35 -4.392 4.459 3.350 1.00 35.40 O ATOM 554 CB VAL A 35 -5.695 3.033 1.003 1.00 15.31 C ATOM 555 CG1 VAL A 35 -6.401 3.181 -0.361 1.00 13.44 C ATOM 556 CG2 VAL A 35 -5.317 1.578 1.279 1.00 32.31 C ATOM 0 H VAL A 35 -3.281 2.685 -0.087 1.00 43.42 H new ATOM 0 HA VAL A 35 -4.920 4.986 0.857 1.00 41.04 H new ATOM 0 HB VAL A 35 -6.363 3.303 1.821 1.00 15.31 H new ATOM 0 HG11 VAL A 35 -7.259 2.510 -0.401 1.00 13.44 H new ATOM 0 HG12 VAL A 35 -6.738 4.210 -0.486 1.00 13.44 H new ATOM 0 HG13 VAL A 35 -5.705 2.927 -1.160 1.00 13.44 H new ATOM 0 HG21 VAL A 35 -6.214 0.959 1.257 1.00 32.31 H new ATOM 0 HG22 VAL A 35 -4.618 1.233 0.517 1.00 32.31 H new ATOM 0 HG23 VAL A 35 -4.849 1.504 2.261 1.00 32.31 H new ATOM 566 N HIS A 36 -2.436 3.975 2.351 1.00 55.44 N ATOM 567 CA HIS A 36 -1.571 4.301 3.479 1.00 41.02 C ATOM 568 C HIS A 36 -0.334 5.081 3.001 1.00 63.54 C ATOM 569 O HIS A 36 0.731 5.024 3.612 1.00 72.31 O ATOM 570 CB HIS A 36 -1.246 3.026 4.266 1.00 60.54 C ATOM 571 CG HIS A 36 -1.255 3.265 5.752 1.00 53.33 C ATOM 572 ND1 HIS A 36 -0.419 4.128 6.409 1.00 34.43 N ATOM 573 CD2 HIS A 36 -2.063 2.674 6.687 1.00 64.21 C ATOM 574 CE1 HIS A 36 -0.707 4.066 7.714 1.00 55.23 C ATOM 575 NE2 HIS A 36 -1.710 3.203 7.936 1.00 35.10 N ATOM 0 H HIS A 36 -1.924 3.609 1.548 1.00 55.44 H new ATOM 0 HA HIS A 36 -2.085 4.967 4.172 1.00 41.02 H new ATOM 0 HB2 HIS A 36 -1.972 2.252 4.019 1.00 60.54 H new ATOM 0 HB3 HIS A 36 -0.267 2.653 3.964 1.00 60.54 H new ATOM 0 HD1 HIS A 36 0.297 4.714 5.979 1.00 34.43 H new ATOM 0 HD2 HIS A 36 -2.830 1.937 6.497 1.00 64.21 H new ATOM 0 HE1 HIS A 36 -0.202 4.632 8.483 1.00 55.23 H new ATOM 583 N SER A 37 -0.435 5.774 1.866 1.00 20.53 N ATOM 584 CA SER A 37 0.638 6.574 1.313 1.00 40.23 C ATOM 585 C SER A 37 0.757 7.910 2.054 1.00 14.10 C ATOM 586 O SER A 37 -0.273 8.517 2.364 1.00 44.43 O ATOM 587 CB SER A 37 0.326 6.858 -0.153 1.00 62.12 C ATOM 588 OG SER A 37 -1.032 7.244 -0.314 1.00 34.12 O ATOM 0 H SER A 37 -1.284 5.790 1.301 1.00 20.53 H new ATOM 0 HA SER A 37 1.576 6.028 1.416 1.00 40.23 H new ATOM 0 HB2 SER A 37 0.980 7.648 -0.522 1.00 62.12 H new ATOM 0 HB3 SER A 37 0.530 5.970 -0.752 1.00 62.12 H new ATOM 0 HG SER A 37 -1.549 6.486 -0.657 1.00 34.12 H new ATOM 594 N PRO A 38 1.974 8.436 2.233 1.00 53.42 N ATOM 595 CA PRO A 38 2.190 9.785 2.724 1.00 55.34 C ATOM 596 C PRO A 38 1.962 10.801 1.594 1.00 53.05 C ATOM 597 O PRO A 38 1.490 10.479 0.497 1.00 0.04 O ATOM 598 CB PRO A 38 3.631 9.775 3.267 1.00 32.42 C ATOM 599 CG PRO A 38 4.326 8.746 2.380 1.00 23.54 C ATOM 600 CD PRO A 38 3.230 7.717 2.155 1.00 3.22 C ATOM 0 HA PRO A 38 1.495 10.084 3.509 1.00 55.34 H new ATOM 0 HB2 PRO A 38 4.098 10.757 3.189 1.00 32.42 H new ATOM 0 HB3 PRO A 38 3.664 9.489 4.318 1.00 32.42 H new ATOM 0 HG2 PRO A 38 4.671 9.184 1.443 1.00 23.54 H new ATOM 0 HG3 PRO A 38 5.198 8.311 2.869 1.00 23.54 H new ATOM 0 HD2 PRO A 38 3.342 7.235 1.184 1.00 3.22 H new ATOM 0 HD3 PRO A 38 3.275 6.930 2.908 1.00 3.22 H new ATOM 608 N SER A 39 2.335 12.043 1.876 1.00 24.30 N ATOM 609 CA SER A 39 2.432 13.188 1.003 1.00 4.31 C ATOM 610 C SER A 39 3.764 13.907 1.267 1.00 22.22 C ATOM 611 O SER A 39 3.852 15.124 1.112 1.00 55.12 O ATOM 612 CB SER A 39 1.240 14.072 1.357 1.00 21.30 C ATOM 613 OG SER A 39 0.026 13.515 0.894 1.00 12.30 O ATOM 0 H SER A 39 2.605 12.291 2.828 1.00 24.30 H new ATOM 0 HA SER A 39 2.413 12.922 -0.054 1.00 4.31 H new ATOM 0 HB2 SER A 39 1.192 14.204 2.438 1.00 21.30 H new ATOM 0 HB3 SER A 39 1.377 15.061 0.921 1.00 21.30 H new ATOM 0 HG SER A 39 -0.718 14.104 1.138 1.00 12.30 H new ATOM 736 N VAL A 49 -7.977 7.826 8.341 1.00 15.03 N ATOM 737 CA VAL A 49 -8.989 8.016 7.324 1.00 41.15 C ATOM 738 C VAL A 49 -9.121 6.730 6.518 1.00 14.21 C ATOM 739 O VAL A 49 -8.134 6.177 6.024 1.00 23.21 O ATOM 740 CB VAL A 49 -8.672 9.213 6.411 1.00 0.10 C ATOM 741 CG1 VAL A 49 -9.914 9.478 5.541 1.00 61.25 C ATOM 742 CG2 VAL A 49 -8.287 10.500 7.161 1.00 44.42 C ATOM 0 HA VAL A 49 -9.937 8.245 7.810 1.00 41.15 H new ATOM 0 HB VAL A 49 -7.796 8.948 5.819 1.00 0.10 H new ATOM 0 HG11 VAL A 49 -9.722 10.323 4.880 1.00 61.25 H new ATOM 0 HG12 VAL A 49 -10.135 8.593 4.944 1.00 61.25 H new ATOM 0 HG13 VAL A 49 -10.766 9.705 6.182 1.00 61.25 H new ATOM 0 HG21 VAL A 49 -8.080 11.292 6.442 1.00 44.42 H new ATOM 0 HG22 VAL A 49 -9.110 10.804 7.809 1.00 44.42 H new ATOM 0 HG23 VAL A 49 -7.398 10.317 7.765 1.00 44.42 H new ATOM 752 N LEU A 50 -10.365 6.293 6.338 1.00 24.31 N ATOM 753 CA LEU A 50 -10.732 5.231 5.426 1.00 42.41 C ATOM 754 C LEU A 50 -10.673 5.776 4.003 1.00 22.11 C ATOM 755 O LEU A 50 -11.497 6.623 3.650 1.00 12.21 O ATOM 756 CB LEU A 50 -12.145 4.754 5.774 1.00 51.25 C ATOM 757 CG LEU A 50 -12.629 3.695 4.779 1.00 64.55 C ATOM 758 CD1 LEU A 50 -11.785 2.422 4.894 1.00 2.00 C ATOM 759 CD2 LEU A 50 -14.093 3.420 5.075 1.00 60.52 C ATOM 0 H LEU A 50 -11.162 6.684 6.840 1.00 24.31 H new ATOM 0 HA LEU A 50 -10.049 4.386 5.508 1.00 42.41 H new ATOM 0 HB2 LEU A 50 -12.155 4.341 6.783 1.00 51.25 H new ATOM 0 HB3 LEU A 50 -12.830 5.602 5.770 1.00 51.25 H new ATOM 0 HG LEU A 50 -12.521 4.052 3.755 1.00 64.55 H new ATOM 0 HD11 LEU A 50 -12.144 1.682 4.179 1.00 2.00 H new ATOM 0 HD12 LEU A 50 -10.742 2.656 4.681 1.00 2.00 H new ATOM 0 HD13 LEU A 50 -11.867 2.021 5.904 1.00 2.00 H new ATOM 0 HD21 LEU A 50 -14.469 2.668 4.382 1.00 60.52 H new ATOM 0 HD22 LEU A 50 -14.195 3.055 6.097 1.00 60.52 H new ATOM 0 HD23 LEU A 50 -14.667 4.340 4.959 1.00 60.52 H new ATOM 771 N GLN A 51 -9.719 5.319 3.187 1.00 62.34 N ATOM 772 CA GLN A 51 -9.578 5.788 1.816 1.00 62.23 C ATOM 773 C GLN A 51 -10.261 4.778 0.890 1.00 1.01 C ATOM 774 O GLN A 51 -9.619 3.865 0.366 1.00 35.23 O ATOM 775 CB GLN A 51 -8.100 6.057 1.482 1.00 40.02 C ATOM 776 CG GLN A 51 -7.342 6.796 2.602 1.00 74.13 C ATOM 777 CD GLN A 51 -6.411 7.869 2.061 1.00 43.21 C ATOM 778 OE1 GLN A 51 -5.465 7.596 1.323 1.00 4.22 O ATOM 779 NE2 GLN A 51 -6.672 9.114 2.410 1.00 42.35 N ATOM 0 H GLN A 51 -9.030 4.619 3.461 1.00 62.34 H new ATOM 0 HA GLN A 51 -10.074 6.748 1.673 1.00 62.23 H new ATOM 0 HB2 GLN A 51 -7.602 5.108 1.282 1.00 40.02 H new ATOM 0 HB3 GLN A 51 -8.044 6.646 0.566 1.00 40.02 H new ATOM 0 HG2 GLN A 51 -8.060 7.252 3.284 1.00 74.13 H new ATOM 0 HG3 GLN A 51 -6.764 6.076 3.182 1.00 74.13 H new ATOM 0 HE21 GLN A 51 -7.462 9.317 3.023 1.00 42.35 H new ATOM 0 HE22 GLN A 51 -6.084 9.874 2.067 1.00 42.35 H new ATOM 788 N TYR A 52 -11.579 4.902 0.746 1.00 32.52 N ATOM 789 CA TYR A 52 -12.376 4.044 -0.127 1.00 42.35 C ATOM 790 C TYR A 52 -12.251 4.471 -1.588 1.00 12.12 C ATOM 791 O TYR A 52 -11.528 5.413 -1.910 1.00 12.23 O ATOM 792 CB TYR A 52 -13.834 4.039 0.331 1.00 14.40 C ATOM 793 CG TYR A 52 -14.617 5.321 0.078 1.00 74.43 C ATOM 794 CD1 TYR A 52 -14.492 6.410 0.964 1.00 21.30 C ATOM 795 CD2 TYR A 52 -15.532 5.400 -0.994 1.00 4.22 C ATOM 796 CE1 TYR A 52 -15.295 7.555 0.800 1.00 23.34 C ATOM 797 CE2 TYR A 52 -16.349 6.535 -1.147 1.00 1.23 C ATOM 798 CZ TYR A 52 -16.238 7.616 -0.247 1.00 55.04 C ATOM 799 OH TYR A 52 -17.059 8.694 -0.385 1.00 51.25 O ATOM 0 H TYR A 52 -12.128 5.608 1.237 1.00 32.52 H new ATOM 0 HA TYR A 52 -11.991 3.027 -0.057 1.00 42.35 H new ATOM 0 HB2 TYR A 52 -14.348 3.218 -0.168 1.00 14.40 H new ATOM 0 HB3 TYR A 52 -13.858 3.827 1.400 1.00 14.40 H new ATOM 0 HD1 TYR A 52 -13.777 6.366 1.772 1.00 21.30 H new ATOM 0 HD2 TYR A 52 -15.605 4.586 -1.700 1.00 4.22 H new ATOM 0 HE1 TYR A 52 -15.188 8.389 1.478 1.00 23.34 H new ATOM 0 HE2 TYR A 52 -17.063 6.579 -1.956 1.00 1.23 H new ATOM 0 HH TYR A 52 -17.642 8.564 -1.162 1.00 51.25 H new ATOM 809 N GLY A 53 -12.955 3.761 -2.470 1.00 43.32 N ATOM 810 CA GLY A 53 -12.978 4.066 -3.903 1.00 61.22 C ATOM 811 C GLY A 53 -11.663 3.773 -4.630 1.00 60.12 C ATOM 812 O GLY A 53 -11.522 4.222 -5.768 1.00 20.23 O ATOM 0 H GLY A 53 -13.527 2.957 -2.212 1.00 43.32 H new ATOM 0 HA2 GLY A 53 -13.775 3.490 -4.373 1.00 61.22 H new ATOM 0 HA3 GLY A 53 -13.226 5.119 -4.035 1.00 61.22 H new ATOM 816 N LYS A 54 -10.725 3.034 -4.012 1.00 15.11 N ATOM 817 CA LYS A 54 -9.395 2.689 -4.528 1.00 75.55 C ATOM 818 C LYS A 54 -9.253 1.162 -4.740 1.00 52.34 C ATOM 819 O LYS A 54 -8.252 0.577 -4.336 1.00 2.20 O ATOM 820 CB LYS A 54 -8.292 3.234 -3.579 1.00 23.34 C ATOM 821 CG LYS A 54 -7.869 4.707 -3.723 1.00 64.54 C ATOM 822 CD LYS A 54 -8.682 5.713 -2.901 1.00 0.11 C ATOM 823 CE LYS A 54 -7.857 6.940 -2.470 1.00 75.25 C ATOM 824 NZ LYS A 54 -7.413 7.780 -3.602 1.00 21.11 N ATOM 0 H LYS A 54 -10.888 2.640 -3.085 1.00 15.11 H new ATOM 0 HA LYS A 54 -9.272 3.162 -5.502 1.00 75.55 H new ATOM 0 HB2 LYS A 54 -8.631 3.084 -2.554 1.00 23.34 H new ATOM 0 HB3 LYS A 54 -7.403 2.618 -3.714 1.00 23.34 H new ATOM 0 HG2 LYS A 54 -6.821 4.795 -3.438 1.00 64.54 H new ATOM 0 HG3 LYS A 54 -7.937 4.985 -4.775 1.00 64.54 H new ATOM 0 HD2 LYS A 54 -9.539 6.045 -3.487 1.00 0.11 H new ATOM 0 HD3 LYS A 54 -9.076 5.216 -2.014 1.00 0.11 H new ATOM 0 HE2 LYS A 54 -8.453 7.548 -1.789 1.00 75.25 H new ATOM 0 HE3 LYS A 54 -6.983 6.603 -1.914 1.00 75.25 H new ATOM 0 HZ1 LYS A 54 -6.864 8.587 -3.242 1.00 21.11 H new ATOM 0 HZ2 LYS A 54 -6.819 7.215 -4.241 1.00 21.11 H new ATOM 0 HZ3 LYS A 54 -8.243 8.131 -4.121 1.00 21.11 H new ATOM 838 N LEU A 55 -10.211 0.449 -5.335 1.00 43.42 N ATOM 839 CA LEU A 55 -10.026 -0.952 -5.757 1.00 24.41 C ATOM 840 C LEU A 55 -9.452 -1.057 -7.176 1.00 63.25 C ATOM 841 O LEU A 55 -9.002 -2.133 -7.566 1.00 12.31 O ATOM 842 CB LEU A 55 -11.378 -1.678 -5.684 1.00 12.40 C ATOM 843 CG LEU A 55 -11.482 -3.142 -5.191 1.00 14.31 C ATOM 844 CD1 LEU A 55 -11.954 -4.060 -6.295 1.00 34.51 C ATOM 845 CD2 LEU A 55 -10.270 -3.775 -4.517 1.00 43.22 C ATOM 0 H LEU A 55 -11.138 0.821 -5.540 1.00 43.42 H new ATOM 0 HA LEU A 55 -9.307 -1.418 -5.083 1.00 24.41 H new ATOM 0 HB2 LEU A 55 -12.025 -1.080 -5.042 1.00 12.40 H new ATOM 0 HB3 LEU A 55 -11.808 -1.649 -6.685 1.00 12.40 H new ATOM 0 HG LEU A 55 -12.211 -3.040 -4.387 1.00 14.31 H new ATOM 0 HD11 LEU A 55 -12.017 -5.081 -5.918 1.00 34.51 H new ATOM 0 HD12 LEU A 55 -12.937 -3.739 -6.639 1.00 34.51 H new ATOM 0 HD13 LEU A 55 -11.249 -4.023 -7.125 1.00 34.51 H new ATOM 0 HD21 LEU A 55 -10.506 -4.800 -4.232 1.00 43.22 H new ATOM 0 HD22 LEU A 55 -9.428 -3.776 -5.209 1.00 43.22 H new ATOM 0 HD23 LEU A 55 -10.008 -3.202 -3.627 1.00 43.22 H new ATOM 857 N ASN A 56 -9.501 0.018 -7.973 1.00 35.40 N ATOM 858 CA ASN A 56 -9.133 0.018 -9.397 1.00 51.13 C ATOM 859 C ASN A 56 -7.716 0.553 -9.646 1.00 53.22 C ATOM 860 O ASN A 56 -7.170 0.322 -10.726 1.00 31.52 O ATOM 861 CB ASN A 56 -10.138 0.870 -10.197 1.00 71.15 C ATOM 862 CG ASN A 56 -10.895 0.110 -11.269 1.00 12.02 C ATOM 863 OD1 ASN A 56 -10.673 0.306 -12.457 1.00 54.33 O ATOM 864 ND2 ASN A 56 -11.845 -0.717 -10.878 1.00 31.42 N ATOM 0 H ASN A 56 -9.804 0.933 -7.639 1.00 35.40 H new ATOM 0 HA ASN A 56 -9.157 -1.020 -9.728 1.00 51.13 H new ATOM 0 HB2 ASN A 56 -10.857 1.307 -9.504 1.00 71.15 H new ATOM 0 HB3 ASN A 56 -9.603 1.696 -10.665 1.00 71.15 H new ATOM 0 HD21 ASN A 56 -12.411 -1.207 -11.570 1.00 31.42 H new ATOM 0 HD22 ASN A 56 -12.014 -0.866 -9.883 1.00 31.42 H new ATOM 871 N VAL A 57 -7.134 1.276 -8.683 1.00 54.01 N ATOM 872 CA VAL A 57 -5.802 1.878 -8.764 1.00 75.45 C ATOM 873 C VAL A 57 -4.741 0.851 -9.138 1.00 71.14 C ATOM 874 O VAL A 57 -4.775 -0.295 -8.681 1.00 62.24 O ATOM 875 CB VAL A 57 -5.469 2.652 -7.462 1.00 75.34 C ATOM 876 CG1 VAL A 57 -5.851 1.887 -6.190 1.00 73.11 C ATOM 877 CG2 VAL A 57 -3.968 2.988 -7.321 1.00 73.24 C ATOM 0 H VAL A 57 -7.596 1.464 -7.793 1.00 54.01 H new ATOM 0 HA VAL A 57 -5.804 2.609 -9.573 1.00 75.45 H new ATOM 0 HB VAL A 57 -6.061 3.562 -7.557 1.00 75.34 H new ATOM 0 HG11 VAL A 57 -5.592 2.483 -5.315 1.00 73.11 H new ATOM 0 HG12 VAL A 57 -6.923 1.692 -6.191 1.00 73.11 H new ATOM 0 HG13 VAL A 57 -5.310 0.941 -6.158 1.00 73.11 H new ATOM 0 HG21 VAL A 57 -3.802 3.529 -6.390 1.00 73.24 H new ATOM 0 HG22 VAL A 57 -3.388 2.065 -7.313 1.00 73.24 H new ATOM 0 HG23 VAL A 57 -3.653 3.607 -8.161 1.00 73.24 H new ATOM 887 N GLY A 58 -3.758 1.292 -9.926 1.00 52.34 N ATOM 888 CA GLY A 58 -2.612 0.517 -10.305 1.00 31.41 C ATOM 889 C GLY A 58 -1.296 1.238 -10.084 1.00 31.32 C ATOM 890 O GLY A 58 -1.208 2.290 -9.443 1.00 60.55 O ATOM 0 H GLY A 58 -3.753 2.232 -10.322 1.00 52.34 H new ATOM 0 HA2 GLY A 58 -2.608 -0.413 -9.737 1.00 31.41 H new ATOM 0 HA3 GLY A 58 -2.697 0.247 -11.358 1.00 31.41 H new ATOM 894 N LEU A 59 -0.248 0.619 -10.618 1.00 43.32 N ATOM 895 CA LEU A 59 1.137 1.013 -10.504 1.00 3.43 C ATOM 896 C LEU A 59 1.819 0.780 -11.825 1.00 2.44 C ATOM 897 O LEU A 59 1.420 -0.069 -12.625 1.00 13.02 O ATOM 898 CB LEU A 59 1.819 0.224 -9.371 1.00 61.43 C ATOM 899 CG LEU A 59 2.547 1.188 -8.429 1.00 4.11 C ATOM 900 CD1 LEU A 59 2.141 1.074 -6.986 1.00 60.44 C ATOM 901 CD2 LEU A 59 4.055 1.127 -8.597 1.00 1.44 C ATOM 0 H LEU A 59 -0.360 -0.226 -11.178 1.00 43.32 H new ATOM 0 HA LEU A 59 1.208 2.072 -10.255 1.00 3.43 H new ATOM 0 HB2 LEU A 59 1.076 -0.348 -8.816 1.00 61.43 H new ATOM 0 HB3 LEU A 59 2.526 -0.493 -9.789 1.00 61.43 H new ATOM 0 HG LEU A 59 2.218 2.179 -8.741 1.00 4.11 H new ATOM 0 HD11 LEU A 59 2.705 1.792 -6.391 1.00 60.44 H new ATOM 0 HD12 LEU A 59 1.075 1.282 -6.890 1.00 60.44 H new ATOM 0 HD13 LEU A 59 2.347 0.065 -6.629 1.00 60.44 H new ATOM 0 HD21 LEU A 59 4.526 1.828 -7.908 1.00 1.44 H new ATOM 0 HD22 LEU A 59 4.404 0.117 -8.383 1.00 1.44 H new ATOM 0 HD23 LEU A 59 4.318 1.392 -9.621 1.00 1.44 H new ATOM 913 N VAL A 60 2.858 1.567 -12.022 1.00 1.43 N ATOM 914 CA VAL A 60 3.421 1.885 -13.321 1.00 43.34 C ATOM 915 C VAL A 60 4.900 1.565 -13.272 1.00 60.24 C ATOM 916 O VAL A 60 5.380 0.813 -14.121 1.00 55.24 O ATOM 917 CB VAL A 60 3.106 3.351 -13.720 1.00 44.03 C ATOM 918 CG1 VAL A 60 1.837 3.397 -14.570 1.00 73.24 C ATOM 919 CG2 VAL A 60 2.905 4.295 -12.536 1.00 72.15 C ATOM 0 H VAL A 60 3.352 2.020 -11.253 1.00 1.43 H new ATOM 0 HA VAL A 60 2.968 1.282 -14.108 1.00 43.34 H new ATOM 0 HB VAL A 60 3.983 3.694 -14.270 1.00 44.03 H new ATOM 0 HG11 VAL A 60 1.622 4.429 -14.847 1.00 73.24 H new ATOM 0 HG12 VAL A 60 1.981 2.802 -15.472 1.00 73.24 H new ATOM 0 HG13 VAL A 60 1.001 2.993 -13.999 1.00 73.24 H new ATOM 0 HG21 VAL A 60 2.689 5.298 -12.903 1.00 72.15 H new ATOM 0 HG22 VAL A 60 2.071 3.944 -11.928 1.00 72.15 H new ATOM 0 HG23 VAL A 60 3.811 4.317 -11.930 1.00 72.15 H new ATOM 929 N GLY A 61 5.586 2.005 -12.220 1.00 2.30 N ATOM 930 CA GLY A 61 7.033 1.864 -12.123 1.00 41.01 C ATOM 931 C GLY A 61 7.502 2.066 -10.695 1.00 63.33 C ATOM 932 O GLY A 61 6.768 2.626 -9.879 1.00 41.35 O ATOM 0 H GLY A 61 5.157 2.466 -11.417 1.00 2.30 H new ATOM 0 HA2 GLY A 61 7.330 0.875 -12.471 1.00 41.01 H new ATOM 0 HA3 GLY A 61 7.518 2.590 -12.775 1.00 41.01 H new ATOM 936 N VAL A 62 8.703 1.572 -10.388 1.00 4.42 N ATOM 937 CA VAL A 62 9.328 1.703 -9.079 1.00 11.40 C ATOM 938 C VAL A 62 10.847 1.730 -9.258 1.00 23.10 C ATOM 939 O VAL A 62 11.393 0.901 -9.992 1.00 24.11 O ATOM 940 CB VAL A 62 8.894 0.551 -8.142 1.00 44.23 C ATOM 941 CG1 VAL A 62 9.686 0.601 -6.836 1.00 52.34 C ATOM 942 CG2 VAL A 62 7.397 0.538 -7.841 1.00 4.33 C ATOM 0 H VAL A 62 9.276 1.060 -11.059 1.00 4.42 H new ATOM 0 HA VAL A 62 9.005 2.633 -8.612 1.00 11.40 H new ATOM 0 HB VAL A 62 9.112 -0.373 -8.678 1.00 44.23 H new ATOM 0 HG11 VAL A 62 9.370 -0.216 -6.187 1.00 52.34 H new ATOM 0 HG12 VAL A 62 10.750 0.502 -7.052 1.00 52.34 H new ATOM 0 HG13 VAL A 62 9.504 1.553 -6.336 1.00 52.34 H new ATOM 0 HG21 VAL A 62 7.166 -0.296 -7.179 1.00 4.33 H new ATOM 0 HG22 VAL A 62 7.115 1.474 -7.358 1.00 4.33 H new ATOM 0 HG23 VAL A 62 6.840 0.428 -8.771 1.00 4.33 H new ATOM 952 N GLU A 63 11.514 2.630 -8.541 1.00 0.12 N ATOM 953 CA GLU A 63 12.957 2.840 -8.499 1.00 3.52 C ATOM 954 C GLU A 63 13.411 3.195 -7.071 1.00 61.34 C ATOM 955 O GLU A 63 12.585 3.574 -6.241 1.00 75.34 O ATOM 956 CB GLU A 63 13.317 3.999 -9.440 1.00 34.20 C ATOM 957 CG GLU A 63 13.287 3.571 -10.911 1.00 74.03 C ATOM 958 CD GLU A 63 14.068 4.519 -11.833 1.00 54.24 C ATOM 959 OE1 GLU A 63 14.731 5.465 -11.341 1.00 42.35 O ATOM 960 OE2 GLU A 63 13.989 4.325 -13.064 1.00 2.42 O ATOM 0 H GLU A 63 11.022 3.280 -7.928 1.00 0.12 H new ATOM 0 HA GLU A 63 13.458 1.923 -8.810 1.00 3.52 H new ATOM 0 HB2 GLU A 63 12.618 4.821 -9.287 1.00 34.20 H new ATOM 0 HB3 GLU A 63 14.310 4.374 -9.191 1.00 34.20 H new ATOM 0 HG2 GLU A 63 13.701 2.566 -10.999 1.00 74.03 H new ATOM 0 HG3 GLU A 63 12.251 3.520 -11.247 1.00 74.03 H new ATOM 967 N PRO A 64 14.715 3.131 -6.761 1.00 63.04 N ATOM 968 CA PRO A 64 15.264 3.636 -5.506 1.00 74.31 C ATOM 969 C PRO A 64 15.181 5.164 -5.451 1.00 13.31 C ATOM 970 O PRO A 64 15.741 5.837 -6.318 1.00 0.33 O ATOM 971 CB PRO A 64 16.721 3.171 -5.498 1.00 4.43 C ATOM 972 CG PRO A 64 17.080 3.014 -6.972 1.00 73.32 C ATOM 973 CD PRO A 64 15.766 2.572 -7.602 1.00 34.11 C ATOM 0 HA PRO A 64 14.712 3.268 -4.641 1.00 74.31 H new ATOM 0 HB2 PRO A 64 17.367 3.899 -5.007 1.00 4.43 H new ATOM 0 HB3 PRO A 64 16.834 2.230 -4.959 1.00 4.43 H new ATOM 0 HG2 PRO A 64 17.438 3.949 -7.401 1.00 73.32 H new ATOM 0 HG3 PRO A 64 17.867 2.274 -7.119 1.00 73.32 H new ATOM 0 HD2 PRO A 64 15.682 2.935 -8.626 1.00 34.11 H new ATOM 0 HD3 PRO A 64 15.698 1.485 -7.642 1.00 34.11 H new ATOM 981 N ALA A 65 14.531 5.742 -4.435 1.00 2.23 N ATOM 982 CA ALA A 65 14.715 7.163 -4.133 1.00 0.42 C ATOM 983 C ALA A 65 15.941 7.369 -3.231 1.00 41.45 C ATOM 984 O ALA A 65 15.821 7.471 -2.006 1.00 60.41 O ATOM 985 CB ALA A 65 13.457 7.800 -3.540 1.00 42.42 C ATOM 0 H ALA A 65 13.882 5.255 -3.817 1.00 2.23 H new ATOM 0 HA ALA A 65 14.899 7.678 -5.076 1.00 0.42 H new ATOM 0 HB1 ALA A 65 13.645 8.854 -3.334 1.00 42.42 H new ATOM 0 HB2 ALA A 65 12.635 7.711 -4.250 1.00 42.42 H new ATOM 0 HB3 ALA A 65 13.193 7.290 -2.613 1.00 42.42 H new ATOM 991 N GLY A 66 17.117 7.462 -3.849 1.00 53.31 N ATOM 992 CA GLY A 66 18.362 7.776 -3.178 1.00 11.40 C ATOM 993 C GLY A 66 18.930 6.504 -2.589 1.00 51.14 C ATOM 994 O GLY A 66 19.022 5.478 -3.269 1.00 21.14 O ATOM 0 H GLY A 66 17.225 7.317 -4.853 1.00 53.31 H new ATOM 0 HA2 GLY A 66 19.070 8.216 -3.881 1.00 11.40 H new ATOM 0 HA3 GLY A 66 18.193 8.513 -2.393 1.00 11.40 H new ATOM 998 N GLN A 67 19.344 6.592 -1.329 1.00 31.12 N ATOM 999 CA GLN A 67 19.981 5.498 -0.606 1.00 0.23 C ATOM 1000 C GLN A 67 19.235 5.237 0.716 1.00 54.33 C ATOM 1001 O GLN A 67 19.717 4.484 1.560 1.00 60.22 O ATOM 1002 CB GLN A 67 21.493 5.798 -0.466 1.00 32.11 C ATOM 1003 CG GLN A 67 22.127 6.135 -1.837 1.00 71.45 C ATOM 1004 CD GLN A 67 23.648 6.264 -1.828 1.00 74.14 C ATOM 1005 OE1 GLN A 67 24.366 5.495 -2.463 1.00 15.12 O ATOM 1006 NE2 GLN A 67 24.193 7.271 -1.170 1.00 44.35 N ATOM 0 H GLN A 67 19.244 7.441 -0.772 1.00 31.12 H new ATOM 0 HA GLN A 67 19.914 4.559 -1.155 1.00 0.23 H new ATOM 0 HB2 GLN A 67 21.639 6.633 0.220 1.00 32.11 H new ATOM 0 HB3 GLN A 67 21.999 4.936 -0.031 1.00 32.11 H new ATOM 0 HG2 GLN A 67 21.847 5.360 -2.551 1.00 71.45 H new ATOM 0 HG3 GLN A 67 21.700 7.070 -2.198 1.00 71.45 H new ATOM 0 HE21 GLN A 67 23.603 7.913 -0.641 1.00 44.35 H new ATOM 0 HE22 GLN A 67 25.204 7.407 -1.191 1.00 44.35 H new ATOM 1015 N TYR A 68 18.064 5.858 0.900 1.00 53.23 N ATOM 1016 CA TYR A 68 17.292 5.876 2.144 1.00 34.44 C ATOM 1017 C TYR A 68 15.770 5.818 1.914 1.00 21.03 C ATOM 1018 O TYR A 68 15.017 5.686 2.882 1.00 12.42 O ATOM 1019 CB TYR A 68 17.700 7.098 2.993 1.00 15.23 C ATOM 1020 CG TYR A 68 18.204 8.295 2.203 1.00 32.30 C ATOM 1021 CD1 TYR A 68 17.298 9.208 1.635 1.00 2.11 C ATOM 1022 CD2 TYR A 68 19.584 8.442 1.968 1.00 2.53 C ATOM 1023 CE1 TYR A 68 17.773 10.260 0.828 1.00 1.10 C ATOM 1024 CE2 TYR A 68 20.056 9.490 1.161 1.00 40.45 C ATOM 1025 CZ TYR A 68 19.156 10.416 0.596 1.00 63.01 C ATOM 1026 OH TYR A 68 19.626 11.435 -0.178 1.00 34.30 O ATOM 0 H TYR A 68 17.611 6.384 0.153 1.00 53.23 H new ATOM 0 HA TYR A 68 17.533 4.966 2.694 1.00 34.44 H new ATOM 0 HB2 TYR A 68 16.841 7.410 3.587 1.00 15.23 H new ATOM 0 HB3 TYR A 68 18.477 6.791 3.693 1.00 15.23 H new ATOM 0 HD1 TYR A 68 16.239 9.103 1.817 1.00 2.11 H new ATOM 0 HD2 TYR A 68 20.282 7.747 2.410 1.00 2.53 H new ATOM 0 HE1 TYR A 68 17.073 10.952 0.383 1.00 1.10 H new ATOM 0 HE2 TYR A 68 21.115 9.587 0.972 1.00 40.45 H new ATOM 0 HH TYR A 68 20.604 11.386 -0.226 1.00 34.30 H new ATOM 1036 N ALA A 69 15.285 5.896 0.669 1.00 31.01 N ATOM 1037 CA ALA A 69 13.861 5.871 0.356 1.00 43.24 C ATOM 1038 C ALA A 69 13.609 5.180 -0.989 1.00 60.02 C ATOM 1039 O ALA A 69 14.508 4.624 -1.620 1.00 44.42 O ATOM 1040 CB ALA A 69 13.306 7.306 0.405 1.00 73.34 C ATOM 0 H ALA A 69 15.881 5.979 -0.155 1.00 31.01 H new ATOM 0 HA ALA A 69 13.327 5.282 1.102 1.00 43.24 H new ATOM 0 HB1 ALA A 69 12.241 7.293 0.172 1.00 73.34 H new ATOM 0 HB2 ALA A 69 13.454 7.719 1.403 1.00 73.34 H new ATOM 0 HB3 ALA A 69 13.830 7.924 -0.325 1.00 73.34 H new ATOM 1046 N LEU A 70 12.356 5.192 -1.435 1.00 35.41 N ATOM 1047 CA LEU A 70 11.877 4.438 -2.579 1.00 1.13 C ATOM 1048 C LEU A 70 10.974 5.374 -3.388 1.00 53.53 C ATOM 1049 O LEU A 70 10.077 6.002 -2.823 1.00 3.54 O ATOM 1050 CB LEU A 70 11.155 3.209 -2.009 1.00 31.43 C ATOM 1051 CG LEU A 70 10.777 2.090 -2.988 1.00 42.55 C ATOM 1052 CD1 LEU A 70 9.932 2.629 -4.120 1.00 40.53 C ATOM 1053 CD2 LEU A 70 11.962 1.320 -3.574 1.00 72.12 C ATOM 0 H LEU A 70 11.625 5.748 -0.991 1.00 35.41 H new ATOM 0 HA LEU A 70 12.657 4.085 -3.254 1.00 1.13 H new ATOM 0 HB2 LEU A 70 11.788 2.777 -1.233 1.00 31.43 H new ATOM 0 HB3 LEU A 70 10.242 3.552 -1.522 1.00 31.43 H new ATOM 0 HG LEU A 70 10.213 1.378 -2.385 1.00 42.55 H new ATOM 0 HD11 LEU A 70 9.676 1.818 -4.801 1.00 40.53 H new ATOM 0 HD12 LEU A 70 9.018 3.065 -3.716 1.00 40.53 H new ATOM 0 HD13 LEU A 70 10.491 3.393 -4.660 1.00 40.53 H new ATOM 0 HD21 LEU A 70 11.596 0.551 -4.254 1.00 72.12 H new ATOM 0 HD22 LEU A 70 12.609 2.007 -4.119 1.00 72.12 H new ATOM 0 HD23 LEU A 70 12.527 0.853 -2.767 1.00 72.12 H new ATOM 1065 N LYS A 71 11.224 5.489 -4.694 1.00 21.43 N ATOM 1066 CA LYS A 71 10.400 6.190 -5.668 1.00 12.42 C ATOM 1067 C LYS A 71 9.372 5.193 -6.197 1.00 74.14 C ATOM 1068 O LYS A 71 9.663 4.424 -7.114 1.00 11.43 O ATOM 1069 CB LYS A 71 11.316 6.719 -6.781 1.00 40.32 C ATOM 1070 CG LYS A 71 10.592 7.566 -7.836 1.00 34.30 C ATOM 1071 CD LYS A 71 11.611 7.923 -8.920 1.00 74.11 C ATOM 1072 CE LYS A 71 10.974 8.803 -10.000 1.00 40.44 C ATOM 1073 NZ LYS A 71 11.970 9.404 -10.920 1.00 61.15 N ATOM 0 H LYS A 71 12.052 5.071 -5.118 1.00 21.43 H new ATOM 0 HA LYS A 71 9.873 7.040 -5.235 1.00 12.42 H new ATOM 0 HB2 LYS A 71 12.109 7.317 -6.331 1.00 40.32 H new ATOM 0 HB3 LYS A 71 11.795 5.874 -7.275 1.00 40.32 H new ATOM 0 HG2 LYS A 71 9.756 7.013 -8.264 1.00 34.30 H new ATOM 0 HG3 LYS A 71 10.180 8.469 -7.385 1.00 34.30 H new ATOM 0 HD2 LYS A 71 12.457 8.445 -8.472 1.00 74.11 H new ATOM 0 HD3 LYS A 71 12.002 7.011 -9.372 1.00 74.11 H new ATOM 0 HE2 LYS A 71 10.268 8.206 -10.577 1.00 40.44 H new ATOM 0 HE3 LYS A 71 10.403 9.599 -9.522 1.00 40.44 H new ATOM 0 HZ1 LYS A 71 11.481 9.988 -11.628 1.00 61.15 H new ATOM 0 HZ2 LYS A 71 12.630 9.998 -10.378 1.00 61.15 H new ATOM 0 HZ3 LYS A 71 12.499 8.648 -11.400 1.00 61.15 H new ATOM 1087 N LEU A 72 8.202 5.133 -5.568 1.00 20.41 N ATOM 1088 CA LEU A 72 7.043 4.436 -6.120 1.00 1.14 C ATOM 1089 C LEU A 72 6.384 5.391 -7.106 1.00 35.14 C ATOM 1090 O LEU A 72 6.325 6.572 -6.800 1.00 75.12 O ATOM 1091 CB LEU A 72 6.062 4.094 -4.978 1.00 64.44 C ATOM 1092 CG LEU A 72 6.265 2.660 -4.462 1.00 55.25 C ATOM 1093 CD1 LEU A 72 5.934 2.516 -2.978 1.00 31.44 C ATOM 1094 CD2 LEU A 72 5.431 1.686 -5.291 1.00 43.42 C ATOM 0 H LEU A 72 8.030 5.566 -4.661 1.00 20.41 H new ATOM 0 HA LEU A 72 7.332 3.508 -6.614 1.00 1.14 H new ATOM 0 HB2 LEU A 72 6.199 4.798 -4.158 1.00 64.44 H new ATOM 0 HB3 LEU A 72 5.038 4.212 -5.331 1.00 64.44 H new ATOM 0 HG LEU A 72 7.323 2.423 -4.572 1.00 55.25 H new ATOM 0 HD11 LEU A 72 6.095 1.484 -2.668 1.00 31.44 H new ATOM 0 HD12 LEU A 72 6.579 3.175 -2.396 1.00 31.44 H new ATOM 0 HD13 LEU A 72 4.892 2.787 -2.810 1.00 31.44 H new ATOM 0 HD21 LEU A 72 5.580 0.672 -4.920 1.00 43.42 H new ATOM 0 HD22 LEU A 72 4.377 1.951 -5.211 1.00 43.42 H new ATOM 0 HD23 LEU A 72 5.740 1.739 -6.335 1.00 43.42 H new ATOM 1106 N SER A 73 5.821 4.907 -8.210 1.00 31.22 N ATOM 1107 CA SER A 73 5.064 5.716 -9.162 1.00 75.31 C ATOM 1108 C SER A 73 3.736 4.992 -9.360 1.00 60.41 C ATOM 1109 O SER A 73 3.738 3.821 -9.748 1.00 35.34 O ATOM 1110 CB SER A 73 5.855 5.871 -10.472 1.00 41.01 C ATOM 1111 OG SER A 73 7.074 6.563 -10.247 1.00 60.12 O ATOM 0 H SER A 73 5.879 3.923 -8.473 1.00 31.22 H new ATOM 0 HA SER A 73 4.887 6.729 -8.802 1.00 75.31 H new ATOM 0 HB2 SER A 73 6.063 4.888 -10.895 1.00 41.01 H new ATOM 0 HB3 SER A 73 5.254 6.412 -11.203 1.00 41.01 H new ATOM 0 HG SER A 73 7.562 6.649 -11.092 1.00 60.12 H new ATOM 1117 N PHE A 74 2.608 5.628 -9.038 1.00 43.03 N ATOM 1118 CA PHE A 74 1.290 5.021 -9.107 1.00 40.22 C ATOM 1119 C PHE A 74 0.635 5.451 -10.409 1.00 34.31 C ATOM 1120 O PHE A 74 0.937 6.495 -10.992 1.00 11.42 O ATOM 1121 CB PHE A 74 0.459 5.372 -7.865 1.00 64.33 C ATOM 1122 CG PHE A 74 0.979 4.839 -6.533 1.00 4.10 C ATOM 1123 CD1 PHE A 74 2.177 5.328 -5.969 1.00 22.50 C ATOM 1124 CD2 PHE A 74 0.232 3.886 -5.813 1.00 0.24 C ATOM 1125 CE1 PHE A 74 2.558 4.962 -4.669 1.00 63.41 C ATOM 1126 CE2 PHE A 74 0.638 3.489 -4.527 1.00 31.44 C ATOM 1127 CZ PHE A 74 1.785 4.048 -3.940 1.00 52.35 C ATOM 0 H PHE A 74 2.591 6.596 -8.717 1.00 43.03 H new ATOM 0 HA PHE A 74 1.366 3.934 -9.107 1.00 40.22 H new ATOM 0 HB2 PHE A 74 0.389 6.458 -7.796 1.00 64.33 H new ATOM 0 HB3 PHE A 74 -0.553 4.996 -8.013 1.00 64.33 H new ATOM 0 HD1 PHE A 74 2.807 5.991 -6.544 1.00 22.50 H new ATOM 0 HD2 PHE A 74 -0.657 3.458 -6.251 1.00 0.24 H new ATOM 0 HE1 PHE A 74 3.449 5.386 -4.229 1.00 63.41 H new ATOM 0 HE2 PHE A 74 0.065 2.750 -3.987 1.00 31.44 H new ATOM 0 HZ PHE A 74 2.069 3.776 -2.934 1.00 52.35 H new ATOM 1137 N ASP A 75 -0.232 4.582 -10.904 1.00 20.12 N ATOM 1138 CA ASP A 75 -0.973 4.816 -12.135 1.00 4.44 C ATOM 1139 C ASP A 75 -2.070 5.831 -11.827 1.00 42.02 C ATOM 1140 O ASP A 75 -2.225 6.860 -12.485 1.00 42.23 O ATOM 1141 CB ASP A 75 -1.493 3.454 -12.616 1.00 0.11 C ATOM 1142 CG ASP A 75 -2.118 3.403 -14.010 1.00 54.35 C ATOM 1143 OD1 ASP A 75 -2.098 4.418 -14.739 1.00 42.14 O ATOM 1144 OD2 ASP A 75 -2.598 2.305 -14.380 1.00 15.10 O ATOM 0 H ASP A 75 -0.443 3.688 -10.460 1.00 20.12 H new ATOM 0 HA ASP A 75 -0.371 5.236 -12.941 1.00 4.44 H new ATOM 0 HB2 ASP A 75 -0.664 2.747 -12.590 1.00 0.11 H new ATOM 0 HB3 ASP A 75 -2.235 3.102 -11.899 1.00 0.11 H new ATOM 1149 N ASP A 76 -2.722 5.623 -10.685 1.00 23.51 N ATOM 1150 CA ASP A 76 -3.843 6.429 -10.232 1.00 13.11 C ATOM 1151 C ASP A 76 -3.394 7.580 -9.328 1.00 12.40 C ATOM 1152 O ASP A 76 -4.254 8.227 -8.729 1.00 71.35 O ATOM 1153 CB ASP A 76 -4.841 5.537 -9.488 1.00 20.33 C ATOM 1154 CG ASP A 76 -6.229 6.159 -9.372 1.00 55.22 C ATOM 1155 OD1 ASP A 76 -6.808 6.574 -10.406 1.00 24.32 O ATOM 1156 OD2 ASP A 76 -6.765 6.214 -8.246 1.00 41.15 O ATOM 0 H ASP A 76 -2.477 4.873 -10.039 1.00 23.51 H new ATOM 0 HA ASP A 76 -4.317 6.871 -11.109 1.00 13.11 H new ATOM 0 HB2 ASP A 76 -4.920 4.581 -10.005 1.00 20.33 H new ATOM 0 HB3 ASP A 76 -4.458 5.329 -8.489 1.00 20.33 H new ATOM 1161 N GLY A 77 -2.089 7.838 -9.173 1.00 12.22 N ATOM 1162 CA GLY A 77 -1.661 8.813 -8.170 1.00 40.31 C ATOM 1163 C GLY A 77 -0.200 9.232 -8.256 1.00 13.22 C ATOM 1164 O GLY A 77 0.591 8.674 -9.016 1.00 4.03 O ATOM 0 H GLY A 77 -1.338 7.402 -9.709 1.00 12.22 H new ATOM 0 HA2 GLY A 77 -2.284 9.703 -8.263 1.00 40.31 H new ATOM 0 HA3 GLY A 77 -1.845 8.397 -7.180 1.00 40.31 H new ATOM 1168 N HIS A 78 0.155 10.213 -7.424 1.00 74.15 N ATOM 1169 CA HIS A 78 1.518 10.700 -7.257 1.00 42.32 C ATOM 1170 C HIS A 78 2.459 9.626 -6.697 1.00 13.23 C ATOM 1171 O HIS A 78 2.026 8.594 -6.177 1.00 40.32 O ATOM 1172 CB HIS A 78 1.512 11.957 -6.363 1.00 41.42 C ATOM 1173 CG HIS A 78 1.178 11.758 -4.898 1.00 34.52 C ATOM 1174 ND1 HIS A 78 1.310 12.704 -3.903 1.00 72.42 N ATOM 1175 CD2 HIS A 78 0.606 10.656 -4.329 1.00 31.31 C ATOM 1176 CE1 HIS A 78 0.812 12.190 -2.761 1.00 41.03 C ATOM 1177 NE2 HIS A 78 0.367 10.939 -2.982 1.00 2.32 N ATOM 0 H HIS A 78 -0.519 10.701 -6.834 1.00 74.15 H new ATOM 0 HA HIS A 78 1.905 10.961 -8.242 1.00 42.32 H new ATOM 0 HB2 HIS A 78 2.496 12.422 -6.426 1.00 41.42 H new ATOM 0 HB3 HIS A 78 0.797 12.666 -6.780 1.00 41.42 H new ATOM 0 HD1 HIS A 78 1.715 13.634 -4.013 1.00 72.42 H new ATOM 0 HD2 HIS A 78 0.378 9.728 -4.832 1.00 31.31 H new ATOM 0 HE1 HIS A 78 0.775 12.704 -1.812 1.00 41.03 H new ATOM 1185 N ASP A 79 3.754 9.929 -6.719 1.00 4.44 N ATOM 1186 CA ASP A 79 4.808 9.158 -6.060 1.00 1.11 C ATOM 1187 C ASP A 79 4.842 9.333 -4.534 1.00 32.43 C ATOM 1188 O ASP A 79 5.530 8.584 -3.836 1.00 51.32 O ATOM 1189 CB ASP A 79 6.177 9.502 -6.673 1.00 55.22 C ATOM 1190 CG ASP A 79 6.554 10.978 -6.576 1.00 42.42 C ATOM 1191 OD1 ASP A 79 6.231 11.644 -5.564 1.00 41.23 O ATOM 1192 OD2 ASP A 79 7.185 11.483 -7.532 1.00 1.03 O ATOM 0 H ASP A 79 4.112 10.746 -7.213 1.00 4.44 H new ATOM 0 HA ASP A 79 4.576 8.108 -6.235 1.00 1.11 H new ATOM 0 HB2 ASP A 79 6.944 8.909 -6.175 1.00 55.22 H new ATOM 0 HB3 ASP A 79 6.177 9.207 -7.722 1.00 55.22 H new ATOM 1197 N SER A 80 4.051 10.254 -3.971 1.00 41.32 N ATOM 1198 CA SER A 80 3.953 10.554 -2.534 1.00 3.20 C ATOM 1199 C SER A 80 5.227 11.128 -1.882 1.00 15.21 C ATOM 1200 O SER A 80 5.283 11.335 -0.666 1.00 22.33 O ATOM 1201 CB SER A 80 3.280 9.405 -1.760 1.00 44.13 C ATOM 1202 OG SER A 80 3.222 8.161 -2.439 1.00 64.32 O ATOM 0 H SER A 80 3.431 10.840 -4.531 1.00 41.32 H new ATOM 0 HA SER A 80 3.279 11.408 -2.458 1.00 3.20 H new ATOM 0 HB2 SER A 80 3.814 9.262 -0.821 1.00 44.13 H new ATOM 0 HB3 SER A 80 2.264 9.708 -1.506 1.00 44.13 H new ATOM 0 HG SER A 80 3.730 7.490 -1.937 1.00 64.32 H new ATOM 1208 N GLY A 81 6.210 11.478 -2.706 1.00 34.43 N ATOM 1209 CA GLY A 81 7.342 12.336 -2.387 1.00 21.20 C ATOM 1210 C GLY A 81 8.476 11.581 -1.711 1.00 43.14 C ATOM 1211 O GLY A 81 9.599 11.586 -2.207 1.00 2.44 O ATOM 0 H GLY A 81 6.237 11.150 -3.671 1.00 34.43 H new ATOM 0 HA2 GLY A 81 7.713 12.798 -3.302 1.00 21.20 H new ATOM 0 HA3 GLY A 81 7.009 13.144 -1.735 1.00 21.20 H new ATOM 1215 N LEU A 82 8.204 10.916 -0.590 1.00 63.04 N ATOM 1216 CA LEU A 82 9.127 10.005 0.086 1.00 11.51 C ATOM 1217 C LEU A 82 8.321 8.797 0.557 1.00 42.33 C ATOM 1218 O LEU A 82 7.093 8.864 0.610 1.00 21.20 O ATOM 1219 CB LEU A 82 9.831 10.694 1.284 1.00 2.41 C ATOM 1220 CG LEU A 82 11.342 10.941 1.072 1.00 20.21 C ATOM 1221 CD1 LEU A 82 11.610 12.331 0.496 1.00 44.22 C ATOM 1222 CD2 LEU A 82 12.097 10.829 2.397 1.00 42.55 C ATOM 0 H LEU A 82 7.307 10.999 -0.112 1.00 63.04 H new ATOM 0 HA LEU A 82 9.913 9.697 -0.604 1.00 11.51 H new ATOM 0 HB2 LEU A 82 9.342 11.648 1.479 1.00 2.41 H new ATOM 0 HB3 LEU A 82 9.696 10.079 2.174 1.00 2.41 H new ATOM 0 HG LEU A 82 11.688 10.183 0.369 1.00 20.21 H new ATOM 0 HD11 LEU A 82 12.683 12.468 0.361 1.00 44.22 H new ATOM 0 HD12 LEU A 82 11.107 12.429 -0.466 1.00 44.22 H new ATOM 0 HD13 LEU A 82 11.231 13.088 1.182 1.00 44.22 H new ATOM 0 HD21 LEU A 82 13.159 11.006 2.227 1.00 42.55 H new ATOM 0 HD22 LEU A 82 11.713 11.570 3.098 1.00 42.55 H new ATOM 0 HD23 LEU A 82 11.958 9.831 2.812 1.00 42.55 H new ATOM 1234 N PHE A 83 9.007 7.741 0.993 1.00 11.42 N ATOM 1235 CA PHE A 83 8.400 6.591 1.663 1.00 55.33 C ATOM 1236 C PHE A 83 9.251 6.203 2.864 1.00 2.24 C ATOM 1237 O PHE A 83 8.726 6.127 3.971 1.00 43.31 O ATOM 1238 CB PHE A 83 8.209 5.410 0.693 1.00 71.33 C ATOM 1239 CG PHE A 83 6.762 5.239 0.276 1.00 63.32 C ATOM 1240 CD1 PHE A 83 5.839 4.679 1.182 1.00 12.32 C ATOM 1241 CD2 PHE A 83 6.322 5.694 -0.981 1.00 2.42 C ATOM 1242 CE1 PHE A 83 4.474 4.609 0.849 1.00 1.22 C ATOM 1243 CE2 PHE A 83 4.962 5.598 -1.321 1.00 35.42 C ATOM 1244 CZ PHE A 83 4.039 5.072 -0.398 1.00 71.34 C ATOM 0 H PHE A 83 10.018 7.659 0.889 1.00 11.42 H new ATOM 0 HA PHE A 83 7.405 6.867 2.013 1.00 55.33 H new ATOM 0 HB2 PHE A 83 8.824 5.567 -0.193 1.00 71.33 H new ATOM 0 HB3 PHE A 83 8.560 4.493 1.167 1.00 71.33 H new ATOM 0 HD1 PHE A 83 6.181 4.302 2.135 1.00 12.32 H new ATOM 0 HD2 PHE A 83 7.027 6.116 -1.682 1.00 2.42 H new ATOM 0 HE1 PHE A 83 3.765 4.200 1.553 1.00 1.22 H new ATOM 0 HE2 PHE A 83 4.624 5.928 -2.292 1.00 35.42 H new ATOM 0 HZ PHE A 83 2.991 5.025 -0.653 1.00 71.34 H new ATOM 1254 N THR A 84 10.552 6.023 2.622 1.00 63.25 N ATOM 1255 CA THR A 84 11.599 5.702 3.584 1.00 4.14 C ATOM 1256 C THR A 84 11.511 4.230 4.008 1.00 53.13 C ATOM 1257 O THR A 84 10.439 3.628 4.121 1.00 55.51 O ATOM 1258 CB THR A 84 11.627 6.694 4.767 1.00 51.45 C ATOM 1259 OG1 THR A 84 11.290 7.994 4.312 1.00 63.41 O ATOM 1260 CG2 THR A 84 13.023 6.792 5.384 1.00 24.20 C ATOM 0 H THR A 84 10.924 6.105 1.676 1.00 63.25 H new ATOM 0 HA THR A 84 12.566 5.825 3.096 1.00 4.14 H new ATOM 0 HB THR A 84 10.916 6.328 5.507 1.00 51.45 H new ATOM 0 HG1 THR A 84 11.307 8.619 5.066 1.00 63.41 H new ATOM 0 HG21 THR A 84 13.005 7.499 6.213 1.00 24.20 H new ATOM 0 HG22 THR A 84 13.329 5.812 5.749 1.00 24.20 H new ATOM 0 HG23 THR A 84 13.731 7.135 4.630 1.00 24.20 H new ATOM 1268 N TRP A 85 12.677 3.613 4.185 1.00 53.43 N ATOM 1269 CA TRP A 85 12.776 2.164 4.314 1.00 14.40 C ATOM 1270 C TRP A 85 12.161 1.634 5.608 1.00 1.40 C ATOM 1271 O TRP A 85 11.641 0.516 5.624 1.00 52.23 O ATOM 1272 CB TRP A 85 14.240 1.742 4.227 1.00 43.42 C ATOM 1273 CG TRP A 85 14.925 2.016 2.924 1.00 1.21 C ATOM 1274 CD1 TRP A 85 16.091 2.684 2.782 1.00 11.24 C ATOM 1275 CD2 TRP A 85 14.568 1.550 1.587 1.00 55.32 C ATOM 1276 NE1 TRP A 85 16.478 2.670 1.457 1.00 0.12 N ATOM 1277 CE2 TRP A 85 15.599 1.945 0.687 1.00 60.15 C ATOM 1278 CE3 TRP A 85 13.506 0.792 1.046 1.00 51.21 C ATOM 1279 CZ2 TRP A 85 15.604 1.559 -0.659 1.00 32.00 C ATOM 1280 CZ3 TRP A 85 13.503 0.399 -0.304 1.00 34.40 C ATOM 1281 CH2 TRP A 85 14.562 0.764 -1.152 1.00 21.14 C ATOM 0 H TRP A 85 13.572 4.100 4.242 1.00 53.43 H new ATOM 0 HA TRP A 85 12.204 1.731 3.493 1.00 14.40 H new ATOM 0 HB2 TRP A 85 14.792 2.249 5.019 1.00 43.42 H new ATOM 0 HB3 TRP A 85 14.302 0.673 4.430 1.00 43.42 H new ATOM 0 HD1 TRP A 85 16.638 3.157 3.584 1.00 11.24 H new ATOM 0 HE1 TRP A 85 17.309 3.137 1.095 1.00 0.12 H new ATOM 0 HE3 TRP A 85 12.680 0.509 1.682 1.00 51.21 H new ATOM 0 HZ2 TRP A 85 16.405 1.872 -1.312 1.00 32.00 H new ATOM 0 HZ3 TRP A 85 12.682 -0.187 -0.691 1.00 34.40 H new ATOM 0 HH2 TRP A 85 14.572 0.433 -2.180 1.00 21.14 H new ATOM 1292 N ASP A 86 12.194 2.413 6.690 1.00 52.15 N ATOM 1293 CA ASP A 86 11.707 1.958 7.979 1.00 42.24 C ATOM 1294 C ASP A 86 10.183 1.891 8.000 1.00 31.02 C ATOM 1295 O ASP A 86 9.625 1.115 8.770 1.00 20.24 O ATOM 1296 CB ASP A 86 12.306 2.846 9.076 1.00 1.24 C ATOM 1297 CG ASP A 86 13.449 2.105 9.769 1.00 75.12 C ATOM 1298 OD1 ASP A 86 14.592 2.162 9.256 1.00 54.13 O ATOM 1299 OD2 ASP A 86 13.207 1.334 10.721 1.00 34.33 O ATOM 0 H ASP A 86 12.556 3.366 6.692 1.00 52.15 H new ATOM 0 HA ASP A 86 12.035 0.936 8.170 1.00 42.24 H new ATOM 0 HB2 ASP A 86 12.672 3.777 8.644 1.00 1.24 H new ATOM 0 HB3 ASP A 86 11.538 3.112 9.803 1.00 1.24 H new ATOM 1304 N TYR A 87 9.510 2.620 7.106 1.00 34.32 N ATOM 1305 CA TYR A 87 8.068 2.582 6.933 1.00 23.10 C ATOM 1306 C TYR A 87 7.649 1.463 5.980 1.00 3.42 C ATOM 1307 O TYR A 87 6.671 0.763 6.235 1.00 33.13 O ATOM 1308 CB TYR A 87 7.629 3.934 6.371 1.00 62.35 C ATOM 1309 CG TYR A 87 6.136 4.115 6.213 1.00 14.53 C ATOM 1310 CD1 TYR A 87 5.254 3.711 7.236 1.00 72.02 C ATOM 1311 CD2 TYR A 87 5.638 4.767 5.070 1.00 13.40 C ATOM 1312 CE1 TYR A 87 3.898 4.054 7.163 1.00 32.40 C ATOM 1313 CE2 TYR A 87 4.271 5.070 4.966 1.00 42.03 C ATOM 1314 CZ TYR A 87 3.419 4.783 6.057 1.00 75.55 C ATOM 1315 OH TYR A 87 2.136 5.208 6.078 1.00 63.25 O ATOM 0 H TYR A 87 9.972 3.268 6.468 1.00 34.32 H new ATOM 0 HA TYR A 87 7.593 2.385 7.894 1.00 23.10 H new ATOM 0 HB2 TYR A 87 8.006 4.720 7.025 1.00 62.35 H new ATOM 0 HB3 TYR A 87 8.100 4.075 5.398 1.00 62.35 H new ATOM 0 HD1 TYR A 87 5.623 3.138 8.074 1.00 72.02 H new ATOM 0 HD2 TYR A 87 6.310 5.036 4.269 1.00 13.40 H new ATOM 0 HE1 TYR A 87 3.222 3.760 7.952 1.00 32.40 H new ATOM 0 HE2 TYR A 87 3.876 5.516 4.065 1.00 42.03 H new ATOM 0 HH TYR A 87 1.822 5.344 5.160 1.00 63.25 H new ATOM 1325 N LEU A 88 8.379 1.288 4.873 1.00 74.44 N ATOM 1326 CA LEU A 88 8.008 0.346 3.818 1.00 12.53 C ATOM 1327 C LEU A 88 7.840 -1.065 4.367 1.00 51.25 C ATOM 1328 O LEU A 88 6.779 -1.672 4.202 1.00 2.41 O ATOM 1329 CB LEU A 88 9.046 0.373 2.684 1.00 33.31 C ATOM 1330 CG LEU A 88 8.585 1.237 1.506 1.00 2.41 C ATOM 1331 CD1 LEU A 88 9.754 1.470 0.558 1.00 63.35 C ATOM 1332 CD2 LEU A 88 7.456 0.572 0.714 1.00 55.55 C ATOM 0 H LEU A 88 9.243 1.797 4.686 1.00 74.44 H new ATOM 0 HA LEU A 88 7.045 0.657 3.413 1.00 12.53 H new ATOM 0 HB2 LEU A 88 9.992 0.757 3.067 1.00 33.31 H new ATOM 0 HB3 LEU A 88 9.231 -0.644 2.338 1.00 33.31 H new ATOM 0 HG LEU A 88 8.217 2.177 1.918 1.00 2.41 H new ATOM 0 HD11 LEU A 88 9.426 2.085 -0.280 1.00 63.35 H new ATOM 0 HD12 LEU A 88 10.557 1.980 1.089 1.00 63.35 H new ATOM 0 HD13 LEU A 88 10.117 0.512 0.185 1.00 63.35 H new ATOM 0 HD21 LEU A 88 7.160 1.219 -0.112 1.00 55.55 H new ATOM 0 HD22 LEU A 88 7.802 -0.384 0.320 1.00 55.55 H new ATOM 0 HD23 LEU A 88 6.601 0.406 1.369 1.00 55.55 H new ATOM 1344 N TYR A 89 8.877 -1.578 5.026 1.00 13.20 N ATOM 1345 CA TYR A 89 8.834 -2.884 5.663 1.00 62.01 C ATOM 1346 C TYR A 89 7.815 -2.941 6.788 1.00 72.14 C ATOM 1347 O TYR A 89 7.215 -3.991 6.978 1.00 72.15 O ATOM 1348 CB TYR A 89 10.218 -3.252 6.185 1.00 11.41 C ATOM 1349 CG TYR A 89 11.095 -4.000 5.206 1.00 3.33 C ATOM 1350 CD1 TYR A 89 10.622 -5.087 4.439 1.00 62.05 C ATOM 1351 CD2 TYR A 89 12.442 -3.631 5.123 1.00 71.43 C ATOM 1352 CE1 TYR A 89 11.497 -5.779 3.587 1.00 51.24 C ATOM 1353 CE2 TYR A 89 13.330 -4.387 4.351 1.00 53.33 C ATOM 1354 CZ TYR A 89 12.871 -5.473 3.605 1.00 23.34 C ATOM 1355 OH TYR A 89 13.788 -6.215 2.944 1.00 13.33 O ATOM 0 H TYR A 89 9.770 -1.096 5.131 1.00 13.20 H new ATOM 0 HA TYR A 89 8.522 -3.608 4.910 1.00 62.01 H new ATOM 0 HB2 TYR A 89 10.731 -2.338 6.484 1.00 11.41 H new ATOM 0 HB3 TYR A 89 10.101 -3.860 7.082 1.00 11.41 H new ATOM 0 HD1 TYR A 89 9.587 -5.386 4.508 1.00 62.05 H new ATOM 0 HD2 TYR A 89 12.797 -2.761 5.656 1.00 71.43 H new ATOM 0 HE1 TYR A 89 11.119 -6.541 2.922 1.00 51.24 H new ATOM 0 HE2 TYR A 89 14.378 -4.128 4.332 1.00 53.33 H new ATOM 0 HH TYR A 89 13.595 -7.167 3.075 1.00 13.33 H new ATOM 1365 N GLU A 90 7.572 -1.849 7.507 1.00 22.24 N ATOM 1366 CA GLU A 90 6.576 -1.851 8.565 1.00 4.34 C ATOM 1367 C GLU A 90 5.225 -2.253 7.975 1.00 23.00 C ATOM 1368 O GLU A 90 4.636 -3.261 8.367 1.00 21.30 O ATOM 1369 CB GLU A 90 6.544 -0.468 9.234 1.00 34.30 C ATOM 1370 CG GLU A 90 5.862 -0.508 10.600 1.00 1.13 C ATOM 1371 CD GLU A 90 6.631 -1.304 11.655 1.00 44.54 C ATOM 1372 OE1 GLU A 90 7.774 -1.748 11.394 1.00 62.03 O ATOM 1373 OE2 GLU A 90 6.048 -1.507 12.742 1.00 13.53 O ATOM 0 H GLU A 90 8.050 -0.958 7.375 1.00 22.24 H new ATOM 0 HA GLU A 90 6.826 -2.578 9.338 1.00 4.34 H new ATOM 0 HB2 GLU A 90 7.563 -0.097 9.348 1.00 34.30 H new ATOM 0 HB3 GLU A 90 6.019 0.235 8.587 1.00 34.30 H new ATOM 0 HG2 GLU A 90 5.726 0.513 10.957 1.00 1.13 H new ATOM 0 HG3 GLU A 90 4.868 -0.941 10.486 1.00 1.13 H new ATOM 1380 N LEU A 91 4.779 -1.526 6.952 1.00 42.53 N ATOM 1381 CA LEU A 91 3.538 -1.832 6.255 1.00 22.52 C ATOM 1382 C LEU A 91 3.609 -3.217 5.588 1.00 74.24 C ATOM 1383 O LEU A 91 2.590 -3.899 5.539 1.00 34.33 O ATOM 1384 CB LEU A 91 3.220 -0.718 5.248 1.00 51.41 C ATOM 1385 CG LEU A 91 3.057 0.697 5.854 1.00 22.12 C ATOM 1386 CD1 LEU A 91 2.940 1.710 4.709 1.00 23.20 C ATOM 1387 CD2 LEU A 91 1.904 0.818 6.862 1.00 52.44 C ATOM 0 H LEU A 91 5.269 -0.710 6.586 1.00 42.53 H new ATOM 0 HA LEU A 91 2.722 -1.874 6.976 1.00 22.52 H new ATOM 0 HB2 LEU A 91 4.015 -0.687 4.503 1.00 51.41 H new ATOM 0 HB3 LEU A 91 2.301 -0.978 4.722 1.00 51.41 H new ATOM 0 HG LEU A 91 3.945 0.912 6.448 1.00 22.12 H new ATOM 0 HD11 LEU A 91 2.824 2.713 5.121 1.00 23.20 H new ATOM 0 HD12 LEU A 91 3.840 1.671 4.095 1.00 23.20 H new ATOM 0 HD13 LEU A 91 2.072 1.467 4.096 1.00 23.20 H new ATOM 0 HD21 LEU A 91 1.857 1.839 7.240 1.00 52.44 H new ATOM 0 HD22 LEU A 91 0.963 0.569 6.370 1.00 52.44 H new ATOM 0 HD23 LEU A 91 2.072 0.131 7.692 1.00 52.44 H new ATOM 1399 N ALA A 92 4.791 -3.683 5.152 1.00 55.45 N ATOM 1400 CA ALA A 92 4.996 -5.027 4.603 1.00 0.13 C ATOM 1401 C ALA A 92 4.515 -6.102 5.582 1.00 3.33 C ATOM 1402 O ALA A 92 3.697 -6.953 5.223 1.00 22.54 O ATOM 1403 CB ALA A 92 6.473 -5.263 4.212 1.00 74.21 C ATOM 0 H ALA A 92 5.644 -3.124 5.173 1.00 55.45 H new ATOM 0 HA ALA A 92 4.397 -5.101 3.695 1.00 0.13 H new ATOM 0 HB1 ALA A 92 6.586 -6.269 3.809 1.00 74.21 H new ATOM 0 HB2 ALA A 92 6.771 -4.535 3.458 1.00 74.21 H new ATOM 0 HB3 ALA A 92 7.105 -5.152 5.093 1.00 74.21 H new ATOM 1409 N THR A 93 5.029 -6.082 6.816 1.00 60.45 N ATOM 1410 CA THR A 93 4.738 -7.144 7.780 1.00 22.12 C ATOM 1411 C THR A 93 3.344 -6.971 8.376 1.00 71.33 C ATOM 1412 O THR A 93 2.733 -7.946 8.818 1.00 44.45 O ATOM 1413 CB THR A 93 5.858 -7.255 8.830 1.00 24.11 C ATOM 1414 OG1 THR A 93 5.634 -8.329 9.719 1.00 72.33 O ATOM 1415 CG2 THR A 93 6.105 -5.983 9.611 1.00 35.04 C ATOM 0 H THR A 93 5.644 -5.348 7.167 1.00 60.45 H new ATOM 0 HA THR A 93 4.722 -8.103 7.262 1.00 22.12 H new ATOM 0 HB THR A 93 6.761 -7.445 8.251 1.00 24.11 H new ATOM 0 HG1 THR A 93 6.364 -8.372 10.371 1.00 72.33 H new ATOM 0 HG21 THR A 93 6.909 -6.147 10.329 1.00 35.04 H new ATOM 0 HG22 THR A 93 6.388 -5.184 8.925 1.00 35.04 H new ATOM 0 HG23 THR A 93 5.196 -5.700 10.142 1.00 35.04 H new ATOM 1423 N ARG A 94 2.809 -5.749 8.368 1.00 44.21 N ATOM 1424 CA ARG A 94 1.521 -5.422 8.965 1.00 3.11 C ATOM 1425 C ARG A 94 0.353 -5.611 8.003 1.00 14.23 C ATOM 1426 O ARG A 94 -0.781 -5.652 8.473 1.00 22.14 O ATOM 1427 CB ARG A 94 1.588 -3.966 9.445 1.00 55.45 C ATOM 1428 CG ARG A 94 2.639 -3.717 10.539 1.00 13.04 C ATOM 1429 CD ARG A 94 2.076 -3.960 11.941 1.00 34.30 C ATOM 1430 NE ARG A 94 2.073 -5.391 12.281 1.00 43.11 N ATOM 1431 CZ ARG A 94 1.641 -5.906 13.434 1.00 61.52 C ATOM 1432 NH1 ARG A 94 1.113 -5.119 14.362 1.00 30.52 N ATOM 1433 NH2 ARG A 94 1.745 -7.211 13.638 1.00 2.20 N ATOM 0 H ARG A 94 3.270 -4.947 7.938 1.00 44.21 H new ATOM 0 HA ARG A 94 1.337 -6.106 9.794 1.00 3.11 H new ATOM 0 HB2 ARG A 94 1.806 -3.323 8.593 1.00 55.45 H new ATOM 0 HB3 ARG A 94 0.608 -3.673 9.823 1.00 55.45 H new ATOM 0 HG2 ARG A 94 3.496 -4.370 10.374 1.00 13.04 H new ATOM 0 HG3 ARG A 94 3.002 -2.692 10.467 1.00 13.04 H new ATOM 0 HD2 ARG A 94 2.670 -3.413 12.673 1.00 34.30 H new ATOM 0 HD3 ARG A 94 1.060 -3.569 11.999 1.00 34.30 H new ATOM 0 HE ARG A 94 2.429 -6.041 11.580 1.00 43.11 H new ATOM 0 HH11 ARG A 94 1.036 -4.116 14.196 1.00 30.52 H new ATOM 0 HH12 ARG A 94 0.784 -5.517 15.242 1.00 30.52 H new ATOM 0 HH21 ARG A 94 2.151 -7.809 12.918 1.00 2.20 H new ATOM 0 HH22 ARG A 94 1.419 -7.618 14.515 1.00 2.20 H new ATOM 1447 N LYS A 95 0.595 -5.716 6.692 1.00 13.00 N ATOM 1448 CA LYS A 95 -0.416 -5.566 5.646 1.00 51.44 C ATOM 1449 C LYS A 95 -1.699 -6.304 5.968 1.00 44.03 C ATOM 1450 O LYS A 95 -2.749 -5.682 6.022 1.00 41.12 O ATOM 1451 CB LYS A 95 0.172 -6.061 4.311 1.00 32.50 C ATOM 1452 CG LYS A 95 -0.816 -6.024 3.132 1.00 51.32 C ATOM 1453 CD LYS A 95 -0.744 -7.200 2.139 1.00 24.32 C ATOM 1454 CE LYS A 95 -1.361 -8.483 2.707 1.00 23.21 C ATOM 1455 NZ LYS A 95 -0.349 -9.503 3.093 1.00 33.10 N ATOM 0 H LYS A 95 1.525 -5.913 6.322 1.00 13.00 H new ATOM 0 HA LYS A 95 -0.678 -4.510 5.575 1.00 51.44 H new ATOM 0 HB2 LYS A 95 1.040 -5.451 4.062 1.00 32.50 H new ATOM 0 HB3 LYS A 95 0.527 -7.083 4.441 1.00 32.50 H new ATOM 0 HG2 LYS A 95 -1.828 -5.979 3.536 1.00 51.32 H new ATOM 0 HG3 LYS A 95 -0.653 -5.099 2.579 1.00 51.32 H new ATOM 0 HD2 LYS A 95 -1.262 -6.928 1.219 1.00 24.32 H new ATOM 0 HD3 LYS A 95 0.297 -7.386 1.876 1.00 24.32 H new ATOM 0 HE2 LYS A 95 -1.965 -8.232 3.579 1.00 23.21 H new ATOM 0 HE3 LYS A 95 -2.035 -8.913 1.966 1.00 23.21 H new ATOM 0 HZ1 LYS A 95 -0.830 -10.338 3.485 1.00 33.10 H new ATOM 0 HZ2 LYS A 95 0.201 -9.781 2.255 1.00 33.10 H new ATOM 0 HZ3 LYS A 95 0.290 -9.104 3.809 1.00 33.10 H new ATOM 1469 N ASP A 96 -1.613 -7.614 6.143 1.00 43.23 N ATOM 1470 CA ASP A 96 -2.728 -8.513 6.359 1.00 32.54 C ATOM 1471 C ASP A 96 -3.622 -8.054 7.512 1.00 62.25 C ATOM 1472 O ASP A 96 -4.850 -8.142 7.412 1.00 72.43 O ATOM 1473 CB ASP A 96 -2.145 -9.898 6.652 1.00 13.41 C ATOM 1474 CG ASP A 96 -2.208 -10.851 5.467 1.00 64.25 C ATOM 1475 OD1 ASP A 96 -3.304 -11.120 4.924 1.00 34.44 O ATOM 1476 OD2 ASP A 96 -1.115 -11.249 5.017 1.00 24.24 O ATOM 0 H ASP A 96 -0.716 -8.100 6.137 1.00 43.23 H new ATOM 0 HA ASP A 96 -3.360 -8.531 5.471 1.00 32.54 H new ATOM 0 HB2 ASP A 96 -1.106 -9.787 6.963 1.00 13.41 H new ATOM 0 HB3 ASP A 96 -2.683 -10.339 7.491 1.00 13.41 H new ATOM 1481 N GLN A 97 -3.020 -7.558 8.596 1.00 1.02 N ATOM 1482 CA GLN A 97 -3.740 -7.067 9.757 1.00 64.32 C ATOM 1483 C GLN A 97 -4.460 -5.767 9.408 1.00 61.43 C ATOM 1484 O GLN A 97 -5.656 -5.638 9.674 1.00 33.50 O ATOM 1485 CB GLN A 97 -2.750 -6.889 10.921 1.00 24.53 C ATOM 1486 CG GLN A 97 -3.381 -6.294 12.187 1.00 41.42 C ATOM 1487 CD GLN A 97 -4.444 -7.226 12.770 1.00 42.02 C ATOM 1488 OE1 GLN A 97 -4.139 -8.156 13.517 1.00 52.45 O ATOM 1489 NE2 GLN A 97 -5.700 -7.060 12.381 1.00 63.55 N ATOM 0 H GLN A 97 -2.006 -7.488 8.686 1.00 1.02 H new ATOM 0 HA GLN A 97 -4.501 -7.784 10.067 1.00 64.32 H new ATOM 0 HB2 GLN A 97 -2.313 -7.857 11.165 1.00 24.53 H new ATOM 0 HB3 GLN A 97 -1.934 -6.244 10.596 1.00 24.53 H new ATOM 0 HG2 GLN A 97 -2.606 -6.113 12.931 1.00 41.42 H new ATOM 0 HG3 GLN A 97 -3.830 -5.329 11.953 1.00 41.42 H new ATOM 0 HE21 GLN A 97 -5.944 -6.287 11.762 1.00 63.55 H new ATOM 0 HE22 GLN A 97 -6.422 -7.705 12.701 1.00 63.55 H new ATOM 1498 N LEU A 98 -3.724 -4.817 8.826 1.00 3.00 N ATOM 1499 CA LEU A 98 -4.220 -3.495 8.449 1.00 34.23 C ATOM 1500 C LEU A 98 -5.360 -3.621 7.456 1.00 34.44 C ATOM 1501 O LEU A 98 -6.353 -2.909 7.547 1.00 63.24 O ATOM 1502 CB LEU A 98 -3.097 -2.667 7.801 1.00 15.23 C ATOM 1503 CG LEU A 98 -1.872 -2.445 8.698 1.00 54.03 C ATOM 1504 CD1 LEU A 98 -0.844 -1.568 7.991 1.00 31.30 C ATOM 1505 CD2 LEU A 98 -2.214 -1.856 10.060 1.00 71.14 C ATOM 0 H LEU A 98 -2.739 -4.952 8.598 1.00 3.00 H new ATOM 0 HA LEU A 98 -4.572 -2.998 9.353 1.00 34.23 H new ATOM 0 HB2 LEU A 98 -2.776 -3.166 6.886 1.00 15.23 H new ATOM 0 HB3 LEU A 98 -3.500 -1.697 7.510 1.00 15.23 H new ATOM 0 HG LEU A 98 -1.450 -3.433 8.884 1.00 54.03 H new ATOM 0 HD11 LEU A 98 0.018 -1.421 8.642 1.00 31.30 H new ATOM 0 HD12 LEU A 98 -0.524 -2.054 7.069 1.00 31.30 H new ATOM 0 HD13 LEU A 98 -1.290 -0.602 7.756 1.00 31.30 H new ATOM 0 HD21 LEU A 98 -1.300 -1.726 10.640 1.00 71.14 H new ATOM 0 HD22 LEU A 98 -2.700 -0.889 9.927 1.00 71.14 H new ATOM 0 HD23 LEU A 98 -2.887 -2.530 10.589 1.00 71.14 H new ATOM 1517 N TRP A 99 -5.224 -4.546 6.511 1.00 0.30 N ATOM 1518 CA TRP A 99 -6.200 -4.813 5.484 1.00 24.11 C ATOM 1519 C TRP A 99 -7.516 -5.210 6.129 1.00 40.24 C ATOM 1520 O TRP A 99 -8.511 -4.524 5.926 1.00 24.13 O ATOM 1521 CB TRP A 99 -5.653 -5.879 4.536 1.00 20.51 C ATOM 1522 CG TRP A 99 -6.435 -6.066 3.281 1.00 1.41 C ATOM 1523 CD1 TRP A 99 -6.963 -7.230 2.851 1.00 15.34 C ATOM 1524 CD2 TRP A 99 -6.758 -5.076 2.262 1.00 31.31 C ATOM 1525 NE1 TRP A 99 -7.518 -7.052 1.605 1.00 73.41 N ATOM 1526 CE2 TRP A 99 -7.436 -5.740 1.198 1.00 62.33 C ATOM 1527 CE3 TRP A 99 -6.536 -3.688 2.127 1.00 44.05 C ATOM 1528 CZ2 TRP A 99 -7.870 -5.064 0.052 1.00 41.12 C ATOM 1529 CZ3 TRP A 99 -6.967 -2.999 0.980 1.00 21.40 C ATOM 1530 CH2 TRP A 99 -7.630 -3.684 -0.049 1.00 55.24 C ATOM 0 H TRP A 99 -4.401 -5.145 6.445 1.00 0.30 H new ATOM 0 HA TRP A 99 -6.394 -3.921 4.889 1.00 24.11 H new ATOM 0 HB2 TRP A 99 -4.628 -5.618 4.272 1.00 20.51 H new ATOM 0 HB3 TRP A 99 -5.613 -6.830 5.067 1.00 20.51 H new ATOM 0 HD1 TRP A 99 -6.952 -8.160 3.401 1.00 15.34 H new ATOM 0 HE1 TRP A 99 -7.938 -7.799 1.052 1.00 73.41 H new ATOM 0 HE3 TRP A 99 -6.029 -3.150 2.914 1.00 44.05 H new ATOM 0 HZ2 TRP A 99 -8.380 -5.593 -0.739 1.00 41.12 H new ATOM 0 HZ3 TRP A 99 -6.787 -1.938 0.891 1.00 21.40 H new ATOM 0 HH2 TRP A 99 -7.958 -3.146 -0.926 1.00 55.24 H new ATOM 1541 N ALA A 100 -7.529 -6.259 6.953 1.00 51.21 N ATOM 1542 CA ALA A 100 -8.751 -6.685 7.620 1.00 40.22 C ATOM 1543 C ALA A 100 -9.327 -5.582 8.525 1.00 0.22 C ATOM 1544 O ALA A 100 -10.536 -5.566 8.749 1.00 32.32 O ATOM 1545 CB ALA A 100 -8.454 -7.950 8.433 1.00 42.34 C ATOM 0 H ALA A 100 -6.709 -6.824 7.171 1.00 51.21 H new ATOM 0 HA ALA A 100 -9.506 -6.896 6.863 1.00 40.22 H new ATOM 0 HB1 ALA A 100 -9.362 -8.280 8.938 1.00 42.34 H new ATOM 0 HB2 ALA A 100 -8.104 -8.737 7.766 1.00 42.34 H new ATOM 0 HB3 ALA A 100 -7.685 -7.734 9.174 1.00 42.34 H new ATOM 1551 N ASP A 101 -8.499 -4.676 9.059 1.00 73.51 N ATOM 1552 CA ASP A 101 -8.951 -3.504 9.819 1.00 40.24 C ATOM 1553 C ASP A 101 -9.702 -2.541 8.886 1.00 74.12 C ATOM 1554 O ASP A 101 -10.885 -2.266 9.099 1.00 31.32 O ATOM 1555 CB ASP A 101 -7.759 -2.826 10.547 1.00 11.34 C ATOM 1556 CG ASP A 101 -7.991 -2.545 12.040 1.00 24.53 C ATOM 1557 OD1 ASP A 101 -8.805 -3.270 12.663 1.00 4.12 O ATOM 1558 OD2 ASP A 101 -7.250 -1.714 12.616 1.00 44.22 O ATOM 0 H ASP A 101 -7.484 -4.737 8.975 1.00 73.51 H new ATOM 0 HA ASP A 101 -9.647 -3.818 10.597 1.00 40.24 H new ATOM 0 HB2 ASP A 101 -6.880 -3.462 10.444 1.00 11.34 H new ATOM 0 HB3 ASP A 101 -7.533 -1.885 10.045 1.00 11.34 H new ATOM 1563 N TYR A 102 -9.067 -2.099 7.793 1.00 32.22 N ATOM 1564 CA TYR A 102 -9.659 -1.172 6.836 1.00 1.42 C ATOM 1565 C TYR A 102 -10.845 -1.781 6.075 1.00 64.44 C ATOM 1566 O TYR A 102 -11.713 -1.049 5.593 1.00 61.51 O ATOM 1567 CB TYR A 102 -8.593 -0.712 5.825 1.00 64.24 C ATOM 1568 CG TYR A 102 -7.872 0.612 6.069 1.00 35.32 C ATOM 1569 CD1 TYR A 102 -8.566 1.732 6.571 1.00 13.32 C ATOM 1570 CD2 TYR A 102 -6.529 0.767 5.663 1.00 61.55 C ATOM 1571 CE1 TYR A 102 -7.950 2.992 6.632 1.00 74.34 C ATOM 1572 CE2 TYR A 102 -5.924 2.040 5.670 1.00 3.20 C ATOM 1573 CZ TYR A 102 -6.641 3.164 6.139 1.00 74.25 C ATOM 1574 OH TYR A 102 -6.085 4.409 6.111 1.00 1.01 O ATOM 0 H TYR A 102 -8.117 -2.382 7.551 1.00 32.22 H new ATOM 0 HA TYR A 102 -10.035 -0.325 7.409 1.00 1.42 H new ATOM 0 HB2 TYR A 102 -7.836 -1.494 5.764 1.00 64.24 H new ATOM 0 HB3 TYR A 102 -9.070 -0.653 4.846 1.00 64.24 H new ATOM 0 HD1 TYR A 102 -9.584 1.619 6.913 1.00 13.32 H new ATOM 0 HD2 TYR A 102 -5.962 -0.095 5.345 1.00 61.55 H new ATOM 0 HE1 TYR A 102 -8.480 3.831 7.058 1.00 74.34 H new ATOM 0 HE2 TYR A 102 -4.910 2.157 5.316 1.00 3.20 H new ATOM 0 HH TYR A 102 -6.793 5.081 6.024 1.00 1.01 H new ATOM 1584 N LEU A 103 -10.901 -3.104 5.915 1.00 21.30 N ATOM 1585 CA LEU A 103 -12.057 -3.790 5.347 1.00 41.14 C ATOM 1586 C LEU A 103 -13.259 -3.607 6.256 1.00 41.44 C ATOM 1587 O LEU A 103 -14.343 -3.314 5.748 1.00 11.30 O ATOM 1588 CB LEU A 103 -11.798 -5.288 5.161 1.00 3.00 C ATOM 1589 CG LEU A 103 -11.204 -5.681 3.790 1.00 20.50 C ATOM 1590 CD1 LEU A 103 -10.178 -4.735 3.139 1.00 1.23 C ATOM 1591 CD2 LEU A 103 -10.556 -7.059 3.853 1.00 1.14 C ATOM 0 H LEU A 103 -10.141 -3.731 6.178 1.00 21.30 H new ATOM 0 HA LEU A 103 -12.249 -3.352 4.367 1.00 41.14 H new ATOM 0 HB2 LEU A 103 -11.119 -5.624 5.944 1.00 3.00 H new ATOM 0 HB3 LEU A 103 -12.737 -5.824 5.301 1.00 3.00 H new ATOM 0 HG LEU A 103 -12.090 -5.637 3.156 1.00 20.50 H new ATOM 0 HD11 LEU A 103 -9.856 -5.149 2.184 1.00 1.23 H new ATOM 0 HD12 LEU A 103 -10.635 -3.759 2.976 1.00 1.23 H new ATOM 0 HD13 LEU A 103 -9.315 -4.626 3.796 1.00 1.23 H new ATOM 0 HD21 LEU A 103 -10.145 -7.313 2.876 1.00 1.14 H new ATOM 0 HD22 LEU A 103 -9.755 -7.051 4.592 1.00 1.14 H new ATOM 0 HD23 LEU A 103 -11.304 -7.800 4.136 1.00 1.14 H new ATOM 1603 N ALA A 104 -13.079 -3.791 7.566 1.00 51.25 N ATOM 1604 CA ALA A 104 -14.146 -3.587 8.532 1.00 72.53 C ATOM 1605 C ALA A 104 -14.627 -2.143 8.465 1.00 41.31 C ATOM 1606 O ALA A 104 -15.830 -1.919 8.367 1.00 15.41 O ATOM 1607 CB ALA A 104 -13.694 -3.966 9.943 1.00 42.43 C ATOM 0 H ALA A 104 -12.193 -4.084 7.979 1.00 51.25 H new ATOM 0 HA ALA A 104 -14.981 -4.242 8.282 1.00 72.53 H new ATOM 0 HB1 ALA A 104 -14.513 -3.803 10.644 1.00 42.43 H new ATOM 0 HB2 ALA A 104 -13.404 -5.017 9.962 1.00 42.43 H new ATOM 0 HB3 ALA A 104 -12.842 -3.349 10.230 1.00 42.43 H new ATOM 1613 N GLU A 105 -13.713 -1.167 8.439 1.00 20.31 N ATOM 1614 CA GLU A 105 -14.096 0.219 8.258 1.00 75.24 C ATOM 1615 C GLU A 105 -14.902 0.437 6.988 1.00 3.32 C ATOM 1616 O GLU A 105 -15.895 1.151 7.052 1.00 32.43 O ATOM 1617 CB GLU A 105 -12.879 1.146 8.235 1.00 35.34 C ATOM 1618 CG GLU A 105 -12.387 1.497 9.629 1.00 35.33 C ATOM 1619 CD GLU A 105 -11.569 2.790 9.584 1.00 41.24 C ATOM 1620 OE1 GLU A 105 -10.385 2.728 9.192 1.00 1.01 O ATOM 1621 OE2 GLU A 105 -12.098 3.870 9.949 1.00 64.13 O ATOM 0 H GLU A 105 -12.710 -1.320 8.541 1.00 20.31 H new ATOM 0 HA GLU A 105 -14.722 0.464 9.116 1.00 75.24 H new ATOM 0 HB2 GLU A 105 -12.073 0.668 7.679 1.00 35.34 H new ATOM 0 HB3 GLU A 105 -13.134 2.062 7.702 1.00 35.34 H new ATOM 0 HG2 GLU A 105 -13.235 1.616 10.304 1.00 35.33 H new ATOM 0 HG3 GLU A 105 -11.777 0.684 10.024 1.00 35.33 H new ATOM 1628 N LEU A 106 -14.507 -0.115 5.837 1.00 0.23 N ATOM 1629 CA LEU A 106 -15.194 0.144 4.587 1.00 33.53 C ATOM 1630 C LEU A 106 -16.604 -0.413 4.660 1.00 42.42 C ATOM 1631 O LEU A 106 -17.571 0.272 4.315 1.00 51.03 O ATOM 1632 CB LEU A 106 -14.337 -0.444 3.460 1.00 51.41 C ATOM 1633 CG LEU A 106 -14.856 -0.243 2.028 1.00 0.11 C ATOM 1634 CD1 LEU A 106 -15.908 -1.307 1.721 1.00 35.23 C ATOM 1635 CD2 LEU A 106 -15.343 1.180 1.805 1.00 1.32 C ATOM 0 H LEU A 106 -13.710 -0.746 5.754 1.00 0.23 H new ATOM 0 HA LEU A 106 -15.313 1.209 4.386 1.00 33.53 H new ATOM 0 HB2 LEU A 106 -13.340 -0.008 3.526 1.00 51.41 H new ATOM 0 HB3 LEU A 106 -14.229 -1.514 3.637 1.00 51.41 H new ATOM 0 HG LEU A 106 -14.040 -0.375 1.318 1.00 0.11 H new ATOM 0 HD11 LEU A 106 -16.280 -1.169 0.706 1.00 35.23 H new ATOM 0 HD12 LEU A 106 -15.462 -2.297 1.812 1.00 35.23 H new ATOM 0 HD13 LEU A 106 -16.735 -1.215 2.426 1.00 35.23 H new ATOM 0 HD21 LEU A 106 -15.703 1.285 0.781 1.00 1.32 H new ATOM 0 HD22 LEU A 106 -16.154 1.400 2.499 1.00 1.32 H new ATOM 0 HD23 LEU A 106 -14.522 1.876 1.974 1.00 1.32 H new ATOM 1647 N ALA A 107 -16.699 -1.631 5.185 1.00 24.50 N ATOM 1648 CA ALA A 107 -17.942 -2.325 5.414 1.00 72.34 C ATOM 1649 C ALA A 107 -18.853 -1.437 6.276 1.00 24.33 C ATOM 1650 O ALA A 107 -19.989 -1.162 5.885 1.00 44.15 O ATOM 1651 CB ALA A 107 -17.612 -3.689 6.038 1.00 11.10 C ATOM 0 H ALA A 107 -15.881 -2.171 5.468 1.00 24.50 H new ATOM 0 HA ALA A 107 -18.493 -2.520 4.494 1.00 72.34 H new ATOM 0 HB1 ALA A 107 -18.536 -4.238 6.223 1.00 11.10 H new ATOM 0 HB2 ALA A 107 -16.982 -4.259 5.355 1.00 11.10 H new ATOM 0 HB3 ALA A 107 -17.084 -3.540 6.980 1.00 11.10 H new ATOM 1657 N SER A 108 -18.324 -0.934 7.397 1.00 55.12 N ATOM 1658 CA SER A 108 -19.027 -0.117 8.375 1.00 24.21 C ATOM 1659 C SER A 108 -19.413 1.265 7.843 1.00 52.03 C ATOM 1660 O SER A 108 -20.512 1.759 8.122 1.00 23.12 O ATOM 1661 CB SER A 108 -18.157 0.006 9.633 1.00 13.33 C ATOM 1662 OG SER A 108 -18.978 0.247 10.756 1.00 24.10 O ATOM 0 H SER A 108 -17.350 -1.096 7.653 1.00 55.12 H new ATOM 0 HA SER A 108 -19.968 -0.614 8.611 1.00 24.21 H new ATOM 0 HB2 SER A 108 -17.582 -0.908 9.780 1.00 13.33 H new ATOM 0 HB3 SER A 108 -17.440 0.818 9.513 1.00 13.33 H new ATOM 0 HG SER A 108 -18.421 0.323 11.558 1.00 24.10 H new ATOM 1668 N ALA A 109 -18.527 1.912 7.082 1.00 2.00 N ATOM 1669 CA ALA A 109 -18.746 3.224 6.489 1.00 35.13 C ATOM 1670 C ALA A 109 -19.863 3.170 5.442 1.00 33.32 C ATOM 1671 O ALA A 109 -20.392 4.218 5.059 1.00 3.03 O ATOM 1672 CB ALA A 109 -17.439 3.753 5.878 1.00 11.31 C ATOM 0 H ALA A 109 -17.612 1.522 6.858 1.00 2.00 H new ATOM 0 HA ALA A 109 -19.062 3.912 7.273 1.00 35.13 H new ATOM 0 HB1 ALA A 109 -17.614 4.734 5.437 1.00 11.31 H new ATOM 0 HB2 ALA A 109 -16.680 3.835 6.656 1.00 11.31 H new ATOM 0 HB3 ALA A 109 -17.094 3.065 5.106 1.00 11.31 H new ATOM 1678 N GLY A 110 -20.243 1.972 4.982 1.00 71.44 N ATOM 1679 CA GLY A 110 -21.241 1.802 3.942 1.00 75.22 C ATOM 1680 C GLY A 110 -20.773 2.421 2.630 1.00 74.34 C ATOM 1681 O GLY A 110 -21.605 2.875 1.843 1.00 62.42 O ATOM 0 H GLY A 110 -19.859 1.093 5.329 1.00 71.44 H new ATOM 0 HA2 GLY A 110 -21.442 0.741 3.796 1.00 75.22 H new ATOM 0 HA3 GLY A 110 -22.178 2.264 4.253 1.00 75.22 H new ATOM 1685 N LYS A 111 -19.458 2.518 2.426 1.00 52.33 N ATOM 1686 CA LYS A 111 -18.878 2.897 1.148 1.00 71.31 C ATOM 1687 C LYS A 111 -18.376 1.625 0.487 1.00 24.32 C ATOM 1688 O LYS A 111 -18.519 0.531 1.036 1.00 1.03 O ATOM 1689 CB LYS A 111 -17.747 3.929 1.316 1.00 71.44 C ATOM 1690 CG LYS A 111 -18.078 5.167 2.152 1.00 2.43 C ATOM 1691 CD LYS A 111 -19.333 5.878 1.650 1.00 1.44 C ATOM 1692 CE LYS A 111 -19.462 7.246 2.325 1.00 60.55 C ATOM 1693 NZ LYS A 111 -20.826 7.786 2.150 1.00 63.25 N ATOM 0 H LYS A 111 -18.766 2.333 3.152 1.00 52.33 H new ATOM 0 HA LYS A 111 -19.630 3.380 0.524 1.00 71.31 H new ATOM 0 HB2 LYS A 111 -16.892 3.428 1.770 1.00 71.44 H new ATOM 0 HB3 LYS A 111 -17.435 4.259 0.325 1.00 71.44 H new ATOM 0 HG2 LYS A 111 -18.219 4.875 3.193 1.00 2.43 H new ATOM 0 HG3 LYS A 111 -17.235 5.858 2.126 1.00 2.43 H new ATOM 0 HD2 LYS A 111 -19.284 6.000 0.568 1.00 1.44 H new ATOM 0 HD3 LYS A 111 -20.214 5.273 1.863 1.00 1.44 H new ATOM 0 HE2 LYS A 111 -19.234 7.156 3.387 1.00 60.55 H new ATOM 0 HE3 LYS A 111 -18.734 7.937 1.900 1.00 60.55 H new ATOM 0 HZ1 LYS A 111 -20.894 8.714 2.614 1.00 63.25 H new ATOM 0 HZ2 LYS A 111 -21.030 7.891 1.136 1.00 63.25 H new ATOM 0 HZ3 LYS A 111 -21.515 7.134 2.577 1.00 63.25 H new ATOM 1707 N SER A 112 -17.715 1.779 -0.649 1.00 34.51 N ATOM 1708 CA SER A 112 -17.244 0.676 -1.450 1.00 11.24 C ATOM 1709 C SER A 112 -15.806 0.910 -1.871 1.00 43.15 C ATOM 1710 O SER A 112 -15.374 2.040 -2.112 1.00 31.53 O ATOM 1711 CB SER A 112 -18.145 0.577 -2.663 1.00 53.43 C ATOM 1712 OG SER A 112 -19.509 0.542 -2.280 1.00 43.24 O ATOM 0 H SER A 112 -17.490 2.693 -1.042 1.00 34.51 H new ATOM 0 HA SER A 112 -17.273 -0.253 -0.881 1.00 11.24 H new ATOM 0 HB2 SER A 112 -17.970 1.428 -3.321 1.00 53.43 H new ATOM 0 HB3 SER A 112 -17.900 -0.321 -3.231 1.00 53.43 H new ATOM 0 HG SER A 112 -20.072 0.480 -3.080 1.00 43.24 H new ATOM 1718 N ARG A 113 -15.049 -0.181 -1.980 1.00 4.01 N ATOM 1719 CA ARG A 113 -13.723 -0.126 -2.577 1.00 14.40 C ATOM 1720 C ARG A 113 -13.843 0.233 -4.058 1.00 31.20 C ATOM 1721 O ARG A 113 -13.063 1.044 -4.547 1.00 60.24 O ATOM 1722 CB ARG A 113 -12.988 -1.464 -2.384 1.00 42.34 C ATOM 1723 CG ARG A 113 -12.603 -1.752 -0.925 1.00 63.21 C ATOM 1724 CD ARG A 113 -11.249 -2.486 -0.847 1.00 34.30 C ATOM 1725 NE ARG A 113 -11.286 -3.763 -0.129 1.00 53.45 N ATOM 1726 CZ ARG A 113 -11.859 -4.918 -0.484 1.00 43.04 C ATOM 1727 NH1 ARG A 113 -12.479 -5.047 -1.655 1.00 22.20 N ATOM 1728 NH2 ARG A 113 -11.783 -5.959 0.333 1.00 55.22 N ATOM 0 H ARG A 113 -15.333 -1.108 -1.663 1.00 4.01 H new ATOM 0 HA ARG A 113 -13.135 0.646 -2.080 1.00 14.40 H new ATOM 0 HB2 ARG A 113 -13.621 -2.272 -2.750 1.00 42.34 H new ATOM 0 HB3 ARG A 113 -12.086 -1.464 -2.995 1.00 42.34 H new ATOM 0 HG2 ARG A 113 -12.547 -0.817 -0.368 1.00 63.21 H new ATOM 0 HG3 ARG A 113 -13.377 -2.357 -0.453 1.00 63.21 H new ATOM 0 HD2 ARG A 113 -10.889 -2.665 -1.860 1.00 34.30 H new ATOM 0 HD3 ARG A 113 -10.524 -1.832 -0.362 1.00 34.30 H new ATOM 0 HE ARG A 113 -10.806 -3.772 0.771 1.00 53.45 H new ATOM 0 HH11 ARG A 113 -12.523 -4.257 -2.299 1.00 22.20 H new ATOM 0 HH12 ARG A 113 -12.910 -5.936 -1.909 1.00 22.20 H new ATOM 0 HH21 ARG A 113 -11.291 -5.874 1.223 1.00 55.22 H new ATOM 0 HH22 ARG A 113 -12.216 -6.845 0.072 1.00 55.22 H new ATOM 1742 N ASP A 114 -14.748 -0.440 -4.772 1.00 20.34 N ATOM 1743 CA ASP A 114 -14.939 -0.333 -6.225 1.00 72.44 C ATOM 1744 C ASP A 114 -15.311 1.108 -6.593 1.00 64.51 C ATOM 1745 O ASP A 114 -15.886 1.829 -5.769 1.00 14.11 O ATOM 1746 CB ASP A 114 -16.041 -1.316 -6.655 1.00 40.31 C ATOM 1747 CG ASP A 114 -15.512 -2.551 -7.381 1.00 20.14 C ATOM 1748 OD1 ASP A 114 -15.025 -2.443 -8.529 1.00 12.21 O ATOM 1749 OD2 ASP A 114 -15.561 -3.635 -6.765 1.00 64.31 O ATOM 0 H ASP A 114 -15.394 -1.101 -4.340 1.00 20.34 H new ATOM 0 HA ASP A 114 -14.016 -0.587 -6.747 1.00 72.44 H new ATOM 0 HB2 ASP A 114 -16.596 -1.634 -5.773 1.00 40.31 H new ATOM 0 HB3 ASP A 114 -16.745 -0.797 -7.305 1.00 40.31 H new ATOM 1754 N PRO A 115 -14.979 1.553 -7.813 1.00 63.52 N ATOM 1755 CA PRO A 115 -15.004 2.962 -8.168 1.00 41.02 C ATOM 1756 C PRO A 115 -16.398 3.542 -8.370 1.00 73.43 C ATOM 1757 O PRO A 115 -16.573 4.744 -8.164 1.00 53.31 O ATOM 1758 CB PRO A 115 -14.197 3.054 -9.457 1.00 54.23 C ATOM 1759 CG PRO A 115 -14.405 1.688 -10.097 1.00 74.35 C ATOM 1760 CD PRO A 115 -14.378 0.774 -8.886 1.00 42.35 C ATOM 0 HA PRO A 115 -14.593 3.552 -7.349 1.00 41.02 H new ATOM 0 HB2 PRO A 115 -14.555 3.858 -10.100 1.00 54.23 H new ATOM 0 HB3 PRO A 115 -13.143 3.249 -9.259 1.00 54.23 H new ATOM 0 HG2 PRO A 115 -15.351 1.628 -10.635 1.00 74.35 H new ATOM 0 HG3 PRO A 115 -13.617 1.446 -10.810 1.00 74.35 H new ATOM 0 HD2 PRO A 115 -14.939 -0.142 -9.070 1.00 42.35 H new ATOM 0 HD3 PRO A 115 -13.359 0.479 -8.637 1.00 42.35 H new