USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 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 67 GLN : amide:sc= -0.483 K(o=-0.81,f=-2.2) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= -0.33 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.69! C(o=-1.7!,f=-2.8!) USER MOD Set 3.1: A 32 LYS NZ :NH3+ 133:sc= -0.797 (180deg=-1.83) USER MOD Set 3.2: A 46 GLN :FLIP amide:sc= -0.0361 F(o=-4.7,f=-0.83) USER MOD Set 4.1: A 12 THR OG1 : rot 128:sc= 1.19 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ -127:sc= -0.155 (180deg=-1.59!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -122:sc= 0 (180deg=-0.07) USER MOD Single : A 7 GLN : amide:sc= -1.37 K(o=-1.4,f=-6.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -0.0387 (180deg=-0.54) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0331 USER MOD Single : A 19 THR OG1 : rot -81:sc= 0.214 USER MOD Single : A 24 HIS : no HD1:sc=0.000909 X(o=0.00091,f=-0.3) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.54 (180deg=-1.08) USER MOD Single : A 45 GLN : amide:sc= -0.957 X(o=-0.96,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 61 MET CE :methyl -150:sc= -4.6! (180deg=-7.56!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.46) USER MOD Single : A 68 LYS NZ :NH3+ 129:sc= -0.14 (180deg=-0.779) USER MOD Single : A 71 THR OG1 : rot 49:sc= 0.104 USER MOD Single : A 73 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.315 -3.394 -3.453 1.00 4.54 N ATOM 2 CA GLY A 1 -8.883 -2.262 -2.652 1.00 72.35 C ATOM 3 C GLY A 1 -7.565 -1.684 -3.129 1.00 33.34 C ATOM 4 O GLY A 1 -6.539 -1.786 -2.456 1.00 71.30 O ATOM 0 H1 GLY A 1 -10.287 -3.232 -3.787 1.00 4.54 H new ATOM 0 H2 GLY A 1 -8.681 -3.503 -4.270 1.00 4.54 H new ATOM 0 H3 GLY A 1 -9.287 -4.259 -2.876 1.00 4.54 H new ATOM 0 HA2 GLY A 1 -9.648 -1.486 -2.682 1.00 72.35 H new ATOM 0 HA3 GLY A 1 -8.785 -2.573 -1.612 1.00 72.35 H new ATOM 8 N PRO A 2 -7.582 -1.062 -4.317 1.00 33.03 N ATOM 9 CA PRO A 2 -6.387 -0.454 -4.909 1.00 71.43 C ATOM 10 C PRO A 2 -5.934 0.790 -4.154 1.00 11.23 C ATOM 11 O PRO A 2 -6.508 1.147 -3.124 1.00 13.10 O ATOM 12 CB PRO A 2 -6.841 -0.086 -6.324 1.00 1.41 C ATOM 13 CG PRO A 2 -8.318 0.080 -6.217 1.00 24.11 C ATOM 14 CD PRO A 2 -8.770 -0.903 -5.173 1.00 21.13 C ATOM 0 HA PRO A 2 -5.531 -1.128 -4.883 1.00 71.43 H new ATOM 0 HB2 PRO A 2 -6.363 0.832 -6.667 1.00 1.41 H new ATOM 0 HB3 PRO A 2 -6.581 -0.867 -7.039 1.00 1.41 H new ATOM 0 HG2 PRO A 2 -8.576 1.100 -5.931 1.00 24.11 H new ATOM 0 HG3 PRO A 2 -8.803 -0.116 -7.173 1.00 24.11 H new ATOM 0 HD2 PRO A 2 -9.624 -0.527 -4.610 1.00 21.13 H new ATOM 0 HD3 PRO A 2 -9.074 -1.850 -5.618 1.00 21.13 H new ATOM 22 N LEU A 3 -4.902 1.448 -4.671 1.00 31.52 N ATOM 23 CA LEU A 3 -4.372 2.654 -4.045 1.00 30.12 C ATOM 24 C LEU A 3 -4.382 3.824 -5.023 1.00 10.32 C ATOM 25 O LEU A 3 -5.097 4.806 -4.825 1.00 61.20 O ATOM 26 CB LEU A 3 -2.949 2.408 -3.541 1.00 21.40 C ATOM 27 CG LEU A 3 -2.813 2.049 -2.061 1.00 15.23 C ATOM 28 CD1 LEU A 3 -1.495 1.336 -1.802 1.00 53.15 C ATOM 29 CD2 LEU A 3 -2.925 3.298 -1.197 1.00 63.54 C ATOM 0 H LEU A 3 -4.416 1.166 -5.522 1.00 31.52 H new ATOM 0 HA LEU A 3 -5.012 2.906 -3.199 1.00 30.12 H new ATOM 0 HB2 LEU A 3 -2.510 1.603 -4.131 1.00 21.40 H new ATOM 0 HB3 LEU A 3 -2.357 3.303 -3.733 1.00 21.40 H new ATOM 0 HG LEU A 3 -3.626 1.373 -1.795 1.00 15.23 H new ATOM 0 HD11 LEU A 3 -1.417 1.089 -0.743 1.00 53.15 H new ATOM 0 HD12 LEU A 3 -1.454 0.421 -2.392 1.00 53.15 H new ATOM 0 HD13 LEU A 3 -0.668 1.987 -2.085 1.00 53.15 H new ATOM 0 HD21 LEU A 3 -2.826 3.024 -0.147 1.00 63.54 H new ATOM 0 HD22 LEU A 3 -2.134 3.998 -1.465 1.00 63.54 H new ATOM 0 HD23 LEU A 3 -3.895 3.767 -1.360 1.00 63.54 H new ATOM 41 N GLY A 4 -3.584 3.712 -6.081 1.00 34.12 N ATOM 42 CA GLY A 4 -3.518 4.767 -7.075 1.00 71.32 C ATOM 43 C GLY A 4 -4.793 4.878 -7.888 1.00 1.52 C ATOM 44 O GLY A 4 -5.893 4.755 -7.349 1.00 40.15 O ATOM 0 H GLY A 4 -2.982 2.910 -6.267 1.00 34.12 H new ATOM 0 HA2 GLY A 4 -3.323 5.718 -6.579 1.00 71.32 H new ATOM 0 HA3 GLY A 4 -2.679 4.579 -7.745 1.00 71.32 H new ATOM 48 N SER A 5 -4.646 5.114 -9.188 1.00 4.44 N ATOM 49 CA SER A 5 -5.795 5.248 -10.075 1.00 43.52 C ATOM 50 C SER A 5 -6.660 6.437 -9.667 1.00 74.23 C ATOM 51 O SER A 5 -6.508 6.984 -8.576 1.00 21.24 O ATOM 52 CB SER A 5 -6.629 3.966 -10.061 1.00 13.31 C ATOM 53 OG SER A 5 -5.802 2.820 -9.960 1.00 2.44 O ATOM 0 H SER A 5 -3.742 5.216 -9.650 1.00 4.44 H new ATOM 0 HA SER A 5 -5.425 5.420 -11.086 1.00 43.52 H new ATOM 0 HB2 SER A 5 -7.325 3.991 -9.223 1.00 13.31 H new ATOM 0 HB3 SER A 5 -7.227 3.908 -10.970 1.00 13.31 H new ATOM 0 HG SER A 5 -6.359 2.014 -9.951 1.00 2.44 H new ATOM 59 N MET A 6 -7.569 6.830 -10.553 1.00 53.34 N ATOM 60 CA MET A 6 -8.461 7.953 -10.286 1.00 22.01 C ATOM 61 C MET A 6 -9.804 7.758 -10.981 1.00 74.12 C ATOM 62 O MET A 6 -10.057 6.713 -11.580 1.00 30.45 O ATOM 63 CB MET A 6 -7.819 9.263 -10.749 1.00 33.45 C ATOM 64 CG MET A 6 -7.173 9.171 -12.121 1.00 64.01 C ATOM 65 SD MET A 6 -5.423 8.742 -12.037 1.00 52.43 S ATOM 66 CE MET A 6 -4.700 10.341 -11.675 1.00 60.53 C ATOM 0 H MET A 6 -7.708 6.388 -11.462 1.00 53.34 H new ATOM 0 HA MET A 6 -8.632 8.001 -9.211 1.00 22.01 H new ATOM 0 HB2 MET A 6 -8.579 10.044 -10.766 1.00 33.45 H new ATOM 0 HB3 MET A 6 -7.066 9.566 -10.021 1.00 33.45 H new ATOM 0 HG2 MET A 6 -7.698 8.424 -12.716 1.00 64.01 H new ATOM 0 HG3 MET A 6 -7.285 10.125 -12.636 1.00 64.01 H new ATOM 0 HE1 MET A 6 -3.978 10.598 -12.450 1.00 60.53 H new ATOM 0 HE2 MET A 6 -5.485 11.097 -11.645 1.00 60.53 H new ATOM 0 HE3 MET A 6 -4.197 10.302 -10.709 1.00 60.53 H new ATOM 76 N GLN A 7 -10.662 8.770 -10.897 1.00 44.34 N ATOM 77 CA GLN A 7 -11.979 8.708 -11.518 1.00 54.12 C ATOM 78 C GLN A 7 -12.339 10.040 -12.168 1.00 4.43 C ATOM 79 O GLN A 7 -11.798 11.085 -11.804 1.00 25.01 O ATOM 80 CB GLN A 7 -13.038 8.331 -10.480 1.00 51.33 C ATOM 81 CG GLN A 7 -12.595 7.229 -9.532 1.00 31.01 C ATOM 82 CD GLN A 7 -12.064 7.768 -8.218 1.00 75.20 C ATOM 83 OE1 GLN A 7 -11.950 8.980 -8.032 1.00 33.45 O ATOM 84 NE2 GLN A 7 -11.737 6.868 -7.298 1.00 2.10 N ATOM 0 H GLN A 7 -10.468 9.642 -10.405 1.00 44.34 H new ATOM 0 HA GLN A 7 -11.951 7.943 -12.294 1.00 54.12 H new ATOM 0 HB2 GLN A 7 -13.297 9.216 -9.899 1.00 51.33 H new ATOM 0 HB3 GLN A 7 -13.944 8.013 -10.996 1.00 51.33 H new ATOM 0 HG2 GLN A 7 -13.436 6.565 -9.334 1.00 31.01 H new ATOM 0 HG3 GLN A 7 -11.822 6.630 -10.013 1.00 31.01 H new ATOM 0 HE21 GLN A 7 -11.848 5.873 -7.495 1.00 2.10 H new ATOM 0 HE22 GLN A 7 -11.375 7.171 -6.394 1.00 2.10 H new ATOM 93 N ILE A 8 -13.253 9.996 -13.130 1.00 55.13 N ATOM 94 CA ILE A 8 -13.685 11.200 -13.830 1.00 2.04 C ATOM 95 C ILE A 8 -15.205 11.314 -13.841 1.00 14.22 C ATOM 96 O ILE A 8 -15.915 10.316 -13.710 1.00 3.43 O ATOM 97 CB ILE A 8 -13.169 11.224 -15.280 1.00 62.24 C ATOM 98 CG1 ILE A 8 -12.348 9.966 -15.573 1.00 41.35 C ATOM 99 CG2 ILE A 8 -12.338 12.474 -15.527 1.00 12.53 C ATOM 100 CD1 ILE A 8 -11.971 9.817 -17.031 1.00 31.32 C ATOM 0 H ILE A 8 -13.710 9.139 -13.443 1.00 55.13 H new ATOM 0 HA ILE A 8 -13.264 12.047 -13.289 1.00 2.04 H new ATOM 0 HB ILE A 8 -14.025 11.242 -15.954 1.00 62.24 H new ATOM 0 HG12 ILE A 8 -11.439 9.986 -14.971 1.00 41.35 H new ATOM 0 HG13 ILE A 8 -12.917 9.090 -15.262 1.00 41.35 H new ATOM 0 HG21 ILE A 8 -11.981 12.476 -16.557 1.00 12.53 H new ATOM 0 HG22 ILE A 8 -12.951 13.359 -15.354 1.00 12.53 H new ATOM 0 HG23 ILE A 8 -11.486 12.485 -14.847 1.00 12.53 H new ATOM 0 HD11 ILE A 8 -11.391 8.904 -17.165 1.00 31.32 H new ATOM 0 HD12 ILE A 8 -12.875 9.764 -17.637 1.00 31.32 H new ATOM 0 HD13 ILE A 8 -11.375 10.675 -17.342 1.00 31.32 H new ATOM 112 N PHE A 9 -15.700 12.537 -14.000 1.00 13.20 N ATOM 113 CA PHE A 9 -17.137 12.783 -14.030 1.00 34.44 C ATOM 114 C PHE A 9 -17.595 13.168 -15.433 1.00 64.14 C ATOM 115 O PHE A 9 -17.069 14.105 -16.034 1.00 54.33 O ATOM 116 CB PHE A 9 -17.508 13.888 -13.039 1.00 0.31 C ATOM 117 CG PHE A 9 -18.202 13.382 -11.807 1.00 75.53 C ATOM 118 CD1 PHE A 9 -19.457 12.800 -11.893 1.00 60.21 C ATOM 119 CD2 PHE A 9 -17.601 13.488 -10.564 1.00 21.44 C ATOM 120 CE1 PHE A 9 -20.099 12.332 -10.762 1.00 3.13 C ATOM 121 CE2 PHE A 9 -18.237 13.021 -9.429 1.00 15.31 C ATOM 122 CZ PHE A 9 -19.488 12.444 -9.528 1.00 14.11 C ATOM 0 H PHE A 9 -15.127 13.374 -14.110 1.00 13.20 H new ATOM 0 HA PHE A 9 -17.643 11.861 -13.742 1.00 34.44 H new ATOM 0 HB2 PHE A 9 -16.603 14.419 -12.744 1.00 0.31 H new ATOM 0 HB3 PHE A 9 -18.153 14.611 -13.538 1.00 0.31 H new ATOM 0 HD1 PHE A 9 -19.939 12.711 -12.855 1.00 60.21 H new ATOM 0 HD2 PHE A 9 -16.624 13.941 -10.480 1.00 21.44 H new ATOM 0 HE1 PHE A 9 -21.076 11.880 -10.843 1.00 3.13 H new ATOM 0 HE2 PHE A 9 -17.756 13.107 -8.466 1.00 15.31 H new ATOM 0 HZ PHE A 9 -19.988 12.081 -8.642 1.00 14.11 H new ATOM 132 N VAL A 10 -18.577 12.437 -15.951 1.00 21.11 N ATOM 133 CA VAL A 10 -19.106 12.701 -17.284 1.00 11.25 C ATOM 134 C VAL A 10 -20.576 13.100 -17.222 1.00 12.42 C ATOM 135 O VAL A 10 -21.378 12.457 -16.544 1.00 0.41 O ATOM 136 CB VAL A 10 -18.957 11.473 -18.200 1.00 73.44 C ATOM 137 CG1 VAL A 10 -19.085 11.878 -19.661 1.00 73.50 C ATOM 138 CG2 VAL A 10 -17.629 10.776 -17.946 1.00 42.51 C ATOM 0 H VAL A 10 -19.022 11.657 -15.468 1.00 21.11 H new ATOM 0 HA VAL A 10 -18.526 13.526 -17.698 1.00 11.25 H new ATOM 0 HB VAL A 10 -19.759 10.771 -17.970 1.00 73.44 H new ATOM 0 HG11 VAL A 10 -18.977 10.997 -20.294 1.00 73.50 H new ATOM 0 HG12 VAL A 10 -20.063 12.328 -19.829 1.00 73.50 H new ATOM 0 HG13 VAL A 10 -18.306 12.600 -19.908 1.00 73.50 H new ATOM 0 HG21 VAL A 10 -17.541 9.910 -18.602 1.00 42.51 H new ATOM 0 HG22 VAL A 10 -16.811 11.468 -18.146 1.00 42.51 H new ATOM 0 HG23 VAL A 10 -17.582 10.450 -16.907 1.00 42.51 H new ATOM 148 N LYS A 11 -20.924 14.166 -17.935 1.00 15.35 N ATOM 149 CA LYS A 11 -22.299 14.652 -17.964 1.00 1.25 C ATOM 150 C LYS A 11 -22.936 14.401 -19.327 1.00 10.54 C ATOM 151 O LYS A 11 -22.538 14.996 -20.329 1.00 24.20 O ATOM 152 CB LYS A 11 -22.340 16.147 -17.636 1.00 73.45 C ATOM 153 CG LYS A 11 -23.686 16.793 -17.916 1.00 0.32 C ATOM 154 CD LYS A 11 -23.636 18.298 -17.708 1.00 65.31 C ATOM 155 CE LYS A 11 -23.242 19.024 -18.985 1.00 71.13 C ATOM 156 NZ LYS A 11 -23.426 20.497 -18.865 1.00 73.32 N ATOM 0 H LYS A 11 -20.273 14.710 -18.501 1.00 15.35 H new ATOM 0 HA LYS A 11 -22.868 14.106 -17.211 1.00 1.25 H new ATOM 0 HB2 LYS A 11 -22.091 16.287 -16.584 1.00 73.45 H new ATOM 0 HB3 LYS A 11 -21.573 16.659 -18.216 1.00 73.45 H new ATOM 0 HG2 LYS A 11 -23.989 16.576 -18.940 1.00 0.32 H new ATOM 0 HG3 LYS A 11 -24.442 16.359 -17.262 1.00 0.32 H new ATOM 0 HD2 LYS A 11 -24.611 18.653 -17.372 1.00 65.31 H new ATOM 0 HD3 LYS A 11 -22.922 18.534 -16.919 1.00 65.31 H new ATOM 0 HE2 LYS A 11 -22.200 18.806 -19.220 1.00 71.13 H new ATOM 0 HE3 LYS A 11 -23.841 18.650 -19.815 1.00 71.13 H new ATOM 0 HZ1 LYS A 11 -23.147 20.955 -19.756 1.00 73.32 H new ATOM 0 HZ2 LYS A 11 -24.425 20.707 -18.666 1.00 73.32 H new ATOM 0 HZ3 LYS A 11 -22.835 20.859 -18.089 1.00 73.32 H new ATOM 170 N THR A 12 -23.929 13.518 -19.357 1.00 54.42 N ATOM 171 CA THR A 12 -24.622 13.190 -20.597 1.00 22.42 C ATOM 172 C THR A 12 -25.542 14.325 -21.030 1.00 74.31 C ATOM 173 O THR A 12 -25.902 15.187 -20.227 1.00 41.14 O ATOM 174 CB THR A 12 -25.450 11.899 -20.452 1.00 61.14 C ATOM 175 OG1 THR A 12 -26.491 12.090 -19.488 1.00 24.14 O ATOM 176 CG2 THR A 12 -24.567 10.734 -20.030 1.00 13.11 C ATOM 0 H THR A 12 -24.271 13.017 -18.537 1.00 54.42 H new ATOM 0 HA THR A 12 -23.856 13.038 -21.357 1.00 22.42 H new ATOM 0 HB THR A 12 -25.892 11.666 -21.421 1.00 61.14 H new ATOM 0 HG1 THR A 12 -27.352 11.835 -19.881 1.00 24.14 H new ATOM 0 HG21 THR A 12 -25.174 9.834 -19.934 1.00 13.11 H new ATOM 0 HG22 THR A 12 -23.794 10.572 -20.781 1.00 13.11 H new ATOM 0 HG23 THR A 12 -24.100 10.960 -19.072 1.00 13.11 H new ATOM 184 N LEU A 13 -25.922 14.319 -22.303 1.00 42.11 N ATOM 185 CA LEU A 13 -26.803 15.349 -22.844 1.00 25.15 C ATOM 186 C LEU A 13 -28.134 15.372 -22.099 1.00 42.43 C ATOM 187 O LEU A 13 -28.872 16.357 -22.154 1.00 64.13 O ATOM 188 CB LEU A 13 -27.043 15.111 -24.335 1.00 73.52 C ATOM 189 CG LEU A 13 -27.715 16.253 -25.098 1.00 2.22 C ATOM 190 CD1 LEU A 13 -26.675 17.240 -25.606 1.00 23.43 C ATOM 191 CD2 LEU A 13 -28.545 15.709 -26.251 1.00 41.33 C ATOM 0 H LEU A 13 -25.634 13.613 -22.980 1.00 42.11 H new ATOM 0 HA LEU A 13 -26.317 16.315 -22.711 1.00 25.15 H new ATOM 0 HB2 LEU A 13 -26.084 14.900 -24.808 1.00 73.52 H new ATOM 0 HB3 LEU A 13 -27.656 14.217 -24.446 1.00 73.52 H new ATOM 0 HG LEU A 13 -28.381 16.779 -24.414 1.00 2.22 H new ATOM 0 HD11 LEU A 13 -27.172 18.046 -26.147 1.00 23.43 H new ATOM 0 HD12 LEU A 13 -26.124 17.655 -24.762 1.00 23.43 H new ATOM 0 HD13 LEU A 13 -25.983 16.728 -26.274 1.00 23.43 H new ATOM 0 HD21 LEU A 13 -29.016 16.536 -26.782 1.00 41.33 H new ATOM 0 HD22 LEU A 13 -27.900 15.158 -26.935 1.00 41.33 H new ATOM 0 HD23 LEU A 13 -29.315 15.042 -25.862 1.00 41.33 H new ATOM 203 N THR A 14 -28.435 14.282 -21.401 1.00 21.11 N ATOM 204 CA THR A 14 -29.676 14.177 -20.644 1.00 52.34 C ATOM 205 C THR A 14 -29.525 14.782 -19.253 1.00 40.34 C ATOM 206 O THR A 14 -30.444 14.725 -18.438 1.00 20.24 O ATOM 207 CB THR A 14 -30.129 12.711 -20.508 1.00 0.42 C ATOM 208 OG1 THR A 14 -29.123 11.949 -19.831 1.00 71.05 O ATOM 209 CG2 THR A 14 -30.403 12.100 -21.874 1.00 12.25 C ATOM 0 H THR A 14 -27.836 13.459 -21.344 1.00 21.11 H new ATOM 0 HA THR A 14 -30.432 14.733 -21.198 1.00 52.34 H new ATOM 0 HB THR A 14 -31.052 12.691 -19.928 1.00 0.42 H new ATOM 0 HG1 THR A 14 -29.419 11.018 -19.747 1.00 71.05 H new ATOM 0 HG21 THR A 14 -30.721 11.065 -21.752 1.00 12.25 H new ATOM 0 HG22 THR A 14 -31.190 12.665 -22.374 1.00 12.25 H new ATOM 0 HG23 THR A 14 -29.495 12.132 -22.476 1.00 12.25 H new ATOM 217 N GLY A 15 -28.359 15.364 -18.989 1.00 64.43 N ATOM 218 CA GLY A 15 -28.109 15.972 -17.695 1.00 61.35 C ATOM 219 C GLY A 15 -27.949 14.944 -16.593 1.00 34.11 C ATOM 220 O GLY A 15 -28.644 14.998 -15.578 1.00 33.40 O ATOM 0 H GLY A 15 -27.583 15.425 -19.648 1.00 64.43 H new ATOM 0 HA2 GLY A 15 -27.208 16.582 -17.752 1.00 61.35 H new ATOM 0 HA3 GLY A 15 -28.932 16.642 -17.446 1.00 61.35 H new ATOM 224 N LYS A 16 -27.032 14.003 -16.791 1.00 54.04 N ATOM 225 CA LYS A 16 -26.783 12.957 -15.807 1.00 0.03 C ATOM 226 C LYS A 16 -25.299 12.878 -15.461 1.00 74.31 C ATOM 227 O LYS A 16 -24.451 12.745 -16.344 1.00 74.32 O ATOM 228 CB LYS A 16 -27.268 11.605 -16.335 1.00 25.13 C ATOM 229 CG LYS A 16 -27.696 10.643 -15.240 1.00 61.44 C ATOM 230 CD LYS A 16 -26.505 9.911 -14.644 1.00 33.12 C ATOM 231 CE LYS A 16 -25.919 8.908 -15.625 1.00 61.41 C ATOM 232 NZ LYS A 16 -26.238 7.505 -15.241 1.00 73.43 N ATOM 0 H LYS A 16 -26.448 13.944 -17.625 1.00 54.04 H new ATOM 0 HA LYS A 16 -27.336 13.205 -14.901 1.00 0.03 H new ATOM 0 HB2 LYS A 16 -28.107 11.768 -17.012 1.00 25.13 H new ATOM 0 HB3 LYS A 16 -26.471 11.146 -16.920 1.00 25.13 H new ATOM 0 HG2 LYS A 16 -28.217 11.192 -14.455 1.00 61.44 H new ATOM 0 HG3 LYS A 16 -28.403 9.919 -15.646 1.00 61.44 H new ATOM 0 HD2 LYS A 16 -25.739 10.632 -14.358 1.00 33.12 H new ATOM 0 HD3 LYS A 16 -26.812 9.395 -13.734 1.00 33.12 H new ATOM 0 HE2 LYS A 16 -26.307 9.108 -16.624 1.00 61.41 H new ATOM 0 HE3 LYS A 16 -24.837 9.035 -15.671 1.00 61.41 H new ATOM 0 HZ1 LYS A 16 -26.331 6.923 -16.098 1.00 73.43 H new ATOM 0 HZ2 LYS A 16 -25.474 7.126 -14.646 1.00 73.43 H new ATOM 0 HZ3 LYS A 16 -27.132 7.485 -14.710 1.00 73.43 H new ATOM 246 N THR A 17 -24.992 12.959 -14.170 1.00 62.33 N ATOM 247 CA THR A 17 -23.611 12.896 -13.708 1.00 70.32 C ATOM 248 C THR A 17 -23.194 11.459 -13.416 1.00 30.11 C ATOM 249 O THR A 17 -23.771 10.799 -12.551 1.00 74.14 O ATOM 250 CB THR A 17 -23.403 13.746 -12.441 1.00 14.41 C ATOM 251 OG1 THR A 17 -24.573 13.690 -11.616 1.00 44.32 O ATOM 252 CG2 THR A 17 -23.101 15.193 -12.803 1.00 73.45 C ATOM 0 H THR A 17 -25.681 13.068 -13.426 1.00 62.33 H new ATOM 0 HA THR A 17 -22.991 13.296 -14.510 1.00 70.32 H new ATOM 0 HB THR A 17 -22.552 13.340 -11.894 1.00 14.41 H new ATOM 0 HG1 THR A 17 -24.432 14.232 -10.811 1.00 44.32 H new ATOM 0 HG21 THR A 17 -22.958 15.774 -11.892 1.00 73.45 H new ATOM 0 HG22 THR A 17 -22.194 15.235 -13.406 1.00 73.45 H new ATOM 0 HG23 THR A 17 -23.934 15.608 -13.370 1.00 73.45 H new ATOM 260 N ILE A 18 -22.189 10.981 -14.141 1.00 25.51 N ATOM 261 CA ILE A 18 -21.694 9.622 -13.957 1.00 63.21 C ATOM 262 C ILE A 18 -20.214 9.621 -13.587 1.00 35.05 C ATOM 263 O ILE A 18 -19.438 10.438 -14.082 1.00 2.53 O ATOM 264 CB ILE A 18 -21.894 8.773 -15.227 1.00 2.33 C ATOM 265 CG1 ILE A 18 -21.082 7.479 -15.135 1.00 15.33 C ATOM 266 CG2 ILE A 18 -21.497 9.567 -16.462 1.00 42.13 C ATOM 267 CD1 ILE A 18 -21.460 6.454 -16.181 1.00 44.00 C ATOM 0 H ILE A 18 -21.701 11.514 -14.861 1.00 25.51 H new ATOM 0 HA ILE A 18 -22.270 9.184 -13.142 1.00 63.21 H new ATOM 0 HB ILE A 18 -22.949 8.512 -15.310 1.00 2.33 H new ATOM 0 HG12 ILE A 18 -20.023 7.716 -15.236 1.00 15.33 H new ATOM 0 HG13 ILE A 18 -21.218 7.044 -14.145 1.00 15.33 H new ATOM 0 HG21 ILE A 18 -21.644 8.954 -17.351 1.00 42.13 H new ATOM 0 HG22 ILE A 18 -22.114 10.463 -16.533 1.00 42.13 H new ATOM 0 HG23 ILE A 18 -20.448 9.854 -16.388 1.00 42.13 H new ATOM 0 HD11 ILE A 18 -20.845 5.563 -16.056 1.00 44.00 H new ATOM 0 HD12 ILE A 18 -22.511 6.188 -16.067 1.00 44.00 H new ATOM 0 HD13 ILE A 18 -21.297 6.871 -17.175 1.00 44.00 H new ATOM 279 N THR A 19 -19.829 8.696 -12.713 1.00 34.03 N ATOM 280 CA THR A 19 -18.443 8.587 -12.276 1.00 13.33 C ATOM 281 C THR A 19 -17.816 7.284 -12.756 1.00 61.31 C ATOM 282 O THR A 19 -18.448 6.228 -12.715 1.00 72.22 O ATOM 283 CB THR A 19 -18.330 8.663 -10.741 1.00 53.34 C ATOM 284 OG1 THR A 19 -19.615 8.929 -10.168 1.00 74.21 O ATOM 285 CG2 THR A 19 -17.349 9.748 -10.324 1.00 53.51 C ATOM 0 H THR A 19 -20.458 8.011 -12.294 1.00 34.03 H new ATOM 0 HA THR A 19 -17.907 9.428 -12.715 1.00 13.33 H new ATOM 0 HB THR A 19 -17.962 7.703 -10.378 1.00 53.34 H new ATOM 0 HG1 THR A 19 -19.809 9.887 -10.231 1.00 74.21 H new ATOM 0 HG21 THR A 19 -17.286 9.783 -9.236 1.00 53.51 H new ATOM 0 HG22 THR A 19 -16.365 9.527 -10.738 1.00 53.51 H new ATOM 0 HG23 THR A 19 -17.692 10.712 -10.699 1.00 53.51 H new ATOM 293 N ILE A 20 -16.570 7.364 -13.210 1.00 42.31 N ATOM 294 CA ILE A 20 -15.857 6.190 -13.696 1.00 71.55 C ATOM 295 C ILE A 20 -14.385 6.238 -13.303 1.00 23.35 C ATOM 296 O ILE A 20 -13.715 7.254 -13.487 1.00 50.11 O ATOM 297 CB ILE A 20 -15.963 6.060 -15.228 1.00 12.45 C ATOM 298 CG1 ILE A 20 -15.950 7.444 -15.880 1.00 44.30 C ATOM 299 CG2 ILE A 20 -17.225 5.301 -15.609 1.00 15.52 C ATOM 300 CD1 ILE A 20 -15.262 7.470 -17.227 1.00 52.42 C ATOM 0 H ILE A 20 -16.033 8.230 -13.251 1.00 42.31 H new ATOM 0 HA ILE A 20 -16.327 5.323 -13.232 1.00 71.55 H new ATOM 0 HB ILE A 20 -15.102 5.499 -15.591 1.00 12.45 H new ATOM 0 HG12 ILE A 20 -16.977 7.791 -15.998 1.00 44.30 H new ATOM 0 HG13 ILE A 20 -15.451 8.147 -15.213 1.00 44.30 H new ATOM 0 HG21 ILE A 20 -17.286 5.217 -16.694 1.00 15.52 H new ATOM 0 HG22 ILE A 20 -17.197 4.304 -15.169 1.00 15.52 H new ATOM 0 HG23 ILE A 20 -18.098 5.837 -15.237 1.00 15.52 H new ATOM 0 HD11 ILE A 20 -15.290 8.482 -17.631 1.00 52.42 H new ATOM 0 HD12 ILE A 20 -14.225 7.154 -17.112 1.00 52.42 H new ATOM 0 HD13 ILE A 20 -15.774 6.793 -17.910 1.00 52.42 H new ATOM 312 N ASP A 21 -13.887 5.132 -12.761 1.00 24.23 N ATOM 313 CA ASP A 21 -12.492 5.046 -12.343 1.00 50.11 C ATOM 314 C ASP A 21 -11.589 4.718 -13.528 1.00 71.10 C ATOM 315 O ASP A 21 -11.759 3.691 -14.186 1.00 0.31 O ATOM 316 CB ASP A 21 -12.328 3.986 -11.252 1.00 53.44 C ATOM 317 CG ASP A 21 -12.688 2.596 -11.737 1.00 72.14 C ATOM 318 OD1 ASP A 21 -13.891 2.259 -11.734 1.00 61.21 O ATOM 319 OD2 ASP A 21 -11.767 1.845 -12.121 1.00 54.00 O ATOM 0 H ASP A 21 -14.428 4.282 -12.601 1.00 24.23 H new ATOM 0 HA ASP A 21 -12.198 6.016 -11.943 1.00 50.11 H new ATOM 0 HB2 ASP A 21 -11.297 3.989 -10.899 1.00 53.44 H new ATOM 0 HB3 ASP A 21 -12.957 4.245 -10.400 1.00 53.44 H new ATOM 324 N VAL A 22 -10.629 5.598 -13.796 1.00 30.45 N ATOM 325 CA VAL A 22 -9.699 5.402 -14.901 1.00 71.32 C ATOM 326 C VAL A 22 -8.265 5.686 -14.470 1.00 23.43 C ATOM 327 O VAL A 22 -8.029 6.307 -13.433 1.00 63.23 O ATOM 328 CB VAL A 22 -10.052 6.305 -16.098 1.00 22.10 C ATOM 329 CG1 VAL A 22 -11.507 6.741 -16.027 1.00 11.50 C ATOM 330 CG2 VAL A 22 -9.126 7.511 -16.145 1.00 53.34 C ATOM 0 H VAL A 22 -10.475 6.454 -13.262 1.00 30.45 H new ATOM 0 HA VAL A 22 -9.784 4.359 -15.205 1.00 71.32 H new ATOM 0 HB VAL A 22 -9.914 5.734 -17.016 1.00 22.10 H new ATOM 0 HG11 VAL A 22 -11.738 7.378 -16.881 1.00 11.50 H new ATOM 0 HG12 VAL A 22 -12.151 5.862 -16.045 1.00 11.50 H new ATOM 0 HG13 VAL A 22 -11.676 7.296 -15.104 1.00 11.50 H new ATOM 0 HG21 VAL A 22 -9.389 8.139 -16.997 1.00 53.34 H new ATOM 0 HG22 VAL A 22 -9.230 8.086 -15.225 1.00 53.34 H new ATOM 0 HG23 VAL A 22 -8.095 7.174 -16.248 1.00 53.34 H new ATOM 340 N ASP A 23 -7.310 5.227 -15.271 1.00 61.14 N ATOM 341 CA ASP A 23 -5.897 5.433 -14.974 1.00 32.33 C ATOM 342 C ASP A 23 -5.248 6.335 -16.018 1.00 64.24 C ATOM 343 O ASP A 23 -5.693 6.395 -17.165 1.00 0.51 O ATOM 344 CB ASP A 23 -5.166 4.091 -14.915 1.00 22.22 C ATOM 345 CG ASP A 23 -4.400 3.905 -13.619 1.00 53.14 C ATOM 346 OD1 ASP A 23 -3.838 4.899 -13.115 1.00 15.50 O ATOM 347 OD2 ASP A 23 -4.362 2.765 -13.110 1.00 55.04 O ATOM 0 H ASP A 23 -7.489 4.709 -16.132 1.00 61.14 H new ATOM 0 HA ASP A 23 -5.822 5.921 -14.002 1.00 32.33 H new ATOM 0 HB2 ASP A 23 -5.888 3.282 -15.026 1.00 22.22 H new ATOM 0 HB3 ASP A 23 -4.475 4.019 -15.755 1.00 22.22 H new ATOM 352 N HIS A 24 -4.193 7.035 -15.614 1.00 44.32 N ATOM 353 CA HIS A 24 -3.482 7.935 -16.515 1.00 45.25 C ATOM 354 C HIS A 24 -2.906 7.171 -17.704 1.00 22.32 C ATOM 355 O HIS A 24 -2.526 7.766 -18.712 1.00 21.23 O ATOM 356 CB HIS A 24 -2.361 8.659 -15.768 1.00 61.23 C ATOM 357 CG HIS A 24 -1.216 7.767 -15.396 1.00 14.40 C ATOM 358 ND1 HIS A 24 -1.292 6.825 -14.392 1.00 1.30 N ATOM 359 CD2 HIS A 24 0.036 7.677 -15.901 1.00 42.30 C ATOM 360 CE1 HIS A 24 -0.135 6.195 -14.294 1.00 43.43 C ATOM 361 NE2 HIS A 24 0.688 6.693 -15.199 1.00 44.44 N ATOM 0 H HIS A 24 -3.812 6.996 -14.669 1.00 44.32 H new ATOM 0 HA HIS A 24 -4.194 8.671 -16.889 1.00 45.25 H new ATOM 0 HB2 HIS A 24 -1.989 9.474 -16.389 1.00 61.23 H new ATOM 0 HB3 HIS A 24 -2.770 9.108 -14.863 1.00 61.23 H new ATOM 0 HD2 HIS A 24 0.446 8.269 -16.706 1.00 42.30 H new ATOM 0 HE1 HIS A 24 0.098 5.407 -13.593 1.00 43.43 H new ATOM 0 HE2 HIS A 24 1.651 6.395 -15.352 1.00 44.44 H new ATOM 369 N ALA A 25 -2.844 5.849 -17.577 1.00 42.22 N ATOM 370 CA ALA A 25 -2.316 5.004 -18.641 1.00 23.13 C ATOM 371 C ALA A 25 -3.402 4.647 -19.649 1.00 54.22 C ATOM 372 O ALA A 25 -3.185 3.835 -20.549 1.00 15.13 O ATOM 373 CB ALA A 25 -1.701 3.741 -18.055 1.00 52.13 C ATOM 0 H ALA A 25 -3.153 5.341 -16.748 1.00 42.22 H new ATOM 0 HA ALA A 25 -1.541 5.564 -19.165 1.00 23.13 H new ATOM 0 HB1 ALA A 25 -1.311 3.119 -18.860 1.00 52.13 H new ATOM 0 HB2 ALA A 25 -0.890 4.011 -17.379 1.00 52.13 H new ATOM 0 HB3 ALA A 25 -2.462 3.187 -17.505 1.00 52.13 H new ATOM 379 N ASP A 26 -4.571 5.258 -19.493 1.00 15.40 N ATOM 380 CA ASP A 26 -5.693 5.005 -20.391 1.00 4.34 C ATOM 381 C ASP A 26 -5.821 6.118 -21.427 1.00 32.35 C ATOM 382 O ASP A 26 -4.925 6.950 -21.575 1.00 73.33 O ATOM 383 CB ASP A 26 -6.993 4.880 -19.595 1.00 24.13 C ATOM 384 CG ASP A 26 -6.927 3.785 -18.548 1.00 13.31 C ATOM 385 OD1 ASP A 26 -6.059 3.870 -17.654 1.00 52.45 O ATOM 386 OD2 ASP A 26 -7.744 2.843 -18.623 1.00 23.15 O ATOM 0 H ASP A 26 -4.767 5.932 -18.753 1.00 15.40 H new ATOM 0 HA ASP A 26 -5.505 4.067 -20.913 1.00 4.34 H new ATOM 0 HB2 ASP A 26 -7.211 5.831 -19.109 1.00 24.13 H new ATOM 0 HB3 ASP A 26 -7.817 4.676 -20.279 1.00 24.13 H new ATOM 391 N THR A 27 -6.941 6.126 -22.142 1.00 54.44 N ATOM 392 CA THR A 27 -7.187 7.135 -23.166 1.00 24.50 C ATOM 393 C THR A 27 -8.671 7.468 -23.265 1.00 62.43 C ATOM 394 O THR A 27 -9.518 6.732 -22.759 1.00 22.51 O ATOM 395 CB THR A 27 -6.683 6.669 -24.545 1.00 72.32 C ATOM 396 OG1 THR A 27 -6.678 5.238 -24.607 1.00 43.12 O ATOM 397 CG2 THR A 27 -5.283 7.199 -24.818 1.00 34.54 C ATOM 0 H THR A 27 -7.693 5.445 -22.031 1.00 54.44 H new ATOM 0 HA THR A 27 -6.637 8.028 -22.869 1.00 24.50 H new ATOM 0 HB THR A 27 -7.357 7.063 -25.305 1.00 72.32 H new ATOM 0 HG1 THR A 27 -6.358 4.950 -25.487 1.00 43.12 H new ATOM 0 HG21 THR A 27 -4.949 6.857 -25.797 1.00 34.54 H new ATOM 0 HG22 THR A 27 -5.297 8.289 -24.800 1.00 34.54 H new ATOM 0 HG23 THR A 27 -4.599 6.832 -24.053 1.00 34.54 H new ATOM 405 N VAL A 28 -8.980 8.581 -23.922 1.00 11.32 N ATOM 406 CA VAL A 28 -10.363 9.011 -24.089 1.00 52.02 C ATOM 407 C VAL A 28 -11.207 7.911 -24.723 1.00 54.34 C ATOM 408 O VAL A 28 -12.286 7.581 -24.232 1.00 63.40 O ATOM 409 CB VAL A 28 -10.456 10.280 -24.958 1.00 24.50 C ATOM 410 CG1 VAL A 28 -11.860 10.861 -24.907 1.00 33.13 C ATOM 411 CG2 VAL A 28 -9.428 11.307 -24.510 1.00 45.52 C ATOM 0 H VAL A 28 -8.291 9.201 -24.347 1.00 11.32 H new ATOM 0 HA VAL A 28 -10.748 9.233 -23.094 1.00 52.02 H new ATOM 0 HB VAL A 28 -10.239 10.009 -25.991 1.00 24.50 H new ATOM 0 HG11 VAL A 28 -11.906 11.757 -25.527 1.00 33.13 H new ATOM 0 HG12 VAL A 28 -12.572 10.125 -25.280 1.00 33.13 H new ATOM 0 HG13 VAL A 28 -12.110 11.119 -23.878 1.00 33.13 H new ATOM 0 HG21 VAL A 28 -9.507 12.197 -25.134 1.00 45.52 H new ATOM 0 HG22 VAL A 28 -9.612 11.576 -23.470 1.00 45.52 H new ATOM 0 HG23 VAL A 28 -8.427 10.885 -24.605 1.00 45.52 H new ATOM 421 N GLY A 29 -10.708 7.347 -25.819 1.00 54.11 N ATOM 422 CA GLY A 29 -11.429 6.290 -26.503 1.00 75.42 C ATOM 423 C GLY A 29 -11.869 5.185 -25.563 1.00 13.45 C ATOM 424 O GLY A 29 -13.036 4.794 -25.557 1.00 22.40 O ATOM 0 H GLY A 29 -9.817 7.603 -26.245 1.00 54.11 H new ATOM 0 HA2 GLY A 29 -12.304 6.712 -26.997 1.00 75.42 H new ATOM 0 HA3 GLY A 29 -10.795 5.868 -27.283 1.00 75.42 H new ATOM 428 N ALA A 30 -10.933 4.681 -24.766 1.00 22.02 N ATOM 429 CA ALA A 30 -11.230 3.615 -23.817 1.00 11.44 C ATOM 430 C ALA A 30 -12.301 4.050 -22.821 1.00 62.35 C ATOM 431 O ALA A 30 -13.182 3.269 -22.461 1.00 64.54 O ATOM 432 CB ALA A 30 -9.965 3.194 -23.084 1.00 34.45 C ATOM 0 H ALA A 30 -9.962 4.994 -24.759 1.00 22.02 H new ATOM 0 HA ALA A 30 -11.615 2.761 -24.375 1.00 11.44 H new ATOM 0 HB1 ALA A 30 -10.201 2.397 -22.379 1.00 34.45 H new ATOM 0 HB2 ALA A 30 -9.230 2.835 -23.804 1.00 34.45 H new ATOM 0 HB3 ALA A 30 -9.556 4.048 -22.544 1.00 34.45 H new ATOM 438 N VAL A 31 -12.219 5.301 -22.379 1.00 61.34 N ATOM 439 CA VAL A 31 -13.181 5.839 -21.426 1.00 14.04 C ATOM 440 C VAL A 31 -14.586 5.864 -22.017 1.00 73.41 C ATOM 441 O VAL A 31 -15.560 5.516 -21.348 1.00 41.14 O ATOM 442 CB VAL A 31 -12.797 7.264 -20.984 1.00 72.21 C ATOM 443 CG1 VAL A 31 -13.863 7.845 -20.068 1.00 31.44 C ATOM 444 CG2 VAL A 31 -11.438 7.261 -20.300 1.00 73.14 C ATOM 0 H VAL A 31 -11.496 5.961 -22.666 1.00 61.34 H new ATOM 0 HA VAL A 31 -13.167 5.181 -20.557 1.00 14.04 H new ATOM 0 HB VAL A 31 -12.731 7.895 -21.870 1.00 72.21 H new ATOM 0 HG11 VAL A 31 -13.574 8.852 -19.766 1.00 31.44 H new ATOM 0 HG12 VAL A 31 -14.815 7.884 -20.597 1.00 31.44 H new ATOM 0 HG13 VAL A 31 -13.965 7.216 -19.183 1.00 31.44 H new ATOM 0 HG21 VAL A 31 -11.182 8.276 -19.994 1.00 73.14 H new ATOM 0 HG22 VAL A 31 -11.474 6.616 -19.422 1.00 73.14 H new ATOM 0 HG23 VAL A 31 -10.683 6.890 -20.993 1.00 73.14 H new ATOM 454 N LYS A 32 -14.685 6.276 -23.276 1.00 40.22 N ATOM 455 CA LYS A 32 -15.971 6.345 -23.961 1.00 5.02 C ATOM 456 C LYS A 32 -16.682 4.996 -23.920 1.00 2.34 C ATOM 457 O LYS A 32 -17.890 4.928 -23.698 1.00 33.12 O ATOM 458 CB LYS A 32 -15.775 6.786 -25.413 1.00 52.41 C ATOM 459 CG LYS A 32 -16.397 8.136 -25.727 1.00 45.33 C ATOM 460 CD LYS A 32 -15.336 9.207 -25.921 1.00 63.23 C ATOM 461 CE LYS A 32 -15.247 9.647 -27.375 1.00 31.24 C ATOM 462 NZ LYS A 32 -16.522 10.252 -27.850 1.00 31.14 N ATOM 0 H LYS A 32 -13.889 6.568 -23.844 1.00 40.22 H new ATOM 0 HA LYS A 32 -16.591 7.078 -23.445 1.00 5.02 H new ATOM 0 HB2 LYS A 32 -14.708 6.827 -25.631 1.00 52.41 H new ATOM 0 HB3 LYS A 32 -16.206 6.034 -26.074 1.00 52.41 H new ATOM 0 HG2 LYS A 32 -17.005 8.057 -26.628 1.00 45.33 H new ATOM 0 HG3 LYS A 32 -17.065 8.427 -24.917 1.00 45.33 H new ATOM 0 HD2 LYS A 32 -15.567 10.067 -25.293 1.00 63.23 H new ATOM 0 HD3 LYS A 32 -14.368 8.825 -25.595 1.00 63.23 H new ATOM 0 HE2 LYS A 32 -14.438 10.369 -27.487 1.00 31.24 H new ATOM 0 HE3 LYS A 32 -14.997 8.789 -27.999 1.00 31.24 H new ATOM 0 HZ1 LYS A 32 -16.319 11.139 -28.354 1.00 31.14 H new ATOM 0 HZ2 LYS A 32 -17.002 9.590 -28.493 1.00 31.14 H new ATOM 0 HZ3 LYS A 32 -17.137 10.450 -27.035 1.00 31.14 H new ATOM 476 N ALA A 33 -15.924 3.926 -24.133 1.00 63.24 N ATOM 477 CA ALA A 33 -16.481 2.579 -24.117 1.00 13.20 C ATOM 478 C ALA A 33 -17.027 2.228 -22.737 1.00 75.02 C ATOM 479 O ALA A 33 -18.100 1.636 -22.615 1.00 22.44 O ATOM 480 CB ALA A 33 -15.429 1.567 -24.543 1.00 64.25 C ATOM 0 H ALA A 33 -14.922 3.966 -24.319 1.00 63.24 H new ATOM 0 HA ALA A 33 -17.308 2.546 -24.826 1.00 13.20 H new ATOM 0 HB1 ALA A 33 -15.859 0.566 -24.526 1.00 64.25 H new ATOM 0 HB2 ALA A 33 -15.089 1.799 -25.552 1.00 64.25 H new ATOM 0 HB3 ALA A 33 -14.584 1.610 -23.856 1.00 64.25 H new ATOM 486 N LYS A 34 -16.283 2.596 -21.700 1.00 50.21 N ATOM 487 CA LYS A 34 -16.692 2.321 -20.328 1.00 31.11 C ATOM 488 C LYS A 34 -18.027 2.989 -20.013 1.00 44.45 C ATOM 489 O LYS A 34 -18.889 2.399 -19.363 1.00 31.41 O ATOM 490 CB LYS A 34 -15.622 2.807 -19.348 1.00 13.53 C ATOM 491 CG LYS A 34 -15.965 2.541 -17.892 1.00 50.40 C ATOM 492 CD LYS A 34 -15.943 1.055 -17.577 1.00 10.24 C ATOM 493 CE LYS A 34 -14.548 0.472 -17.737 1.00 64.15 C ATOM 494 NZ LYS A 34 -14.444 -0.890 -17.143 1.00 44.42 N ATOM 0 H LYS A 34 -15.392 3.086 -21.784 1.00 50.21 H new ATOM 0 HA LYS A 34 -16.812 1.243 -20.220 1.00 31.11 H new ATOM 0 HB2 LYS A 34 -14.676 2.320 -19.585 1.00 13.53 H new ATOM 0 HB3 LYS A 34 -15.473 3.878 -19.488 1.00 13.53 H new ATOM 0 HG2 LYS A 34 -15.255 3.061 -17.249 1.00 50.40 H new ATOM 0 HG3 LYS A 34 -16.952 2.946 -17.670 1.00 50.40 H new ATOM 0 HD2 LYS A 34 -16.291 0.893 -16.557 1.00 10.24 H new ATOM 0 HD3 LYS A 34 -16.635 0.532 -18.237 1.00 10.24 H new ATOM 0 HE2 LYS A 34 -14.293 0.427 -18.796 1.00 64.15 H new ATOM 0 HE3 LYS A 34 -13.822 1.132 -17.262 1.00 64.15 H new ATOM 0 HZ1 LYS A 34 -13.478 -1.252 -17.273 1.00 44.42 H new ATOM 0 HZ2 LYS A 34 -14.663 -0.843 -16.127 1.00 44.42 H new ATOM 0 HZ3 LYS A 34 -15.119 -1.526 -17.614 1.00 44.42 H new ATOM 508 N ILE A 35 -18.190 4.223 -20.480 1.00 62.33 N ATOM 509 CA ILE A 35 -19.420 4.969 -20.251 1.00 14.35 C ATOM 510 C ILE A 35 -20.579 4.377 -21.046 1.00 11.32 C ATOM 511 O ILE A 35 -21.719 4.357 -20.580 1.00 63.42 O ATOM 512 CB ILE A 35 -19.258 6.453 -20.629 1.00 43.23 C ATOM 513 CG1 ILE A 35 -18.084 7.071 -19.866 1.00 14.20 C ATOM 514 CG2 ILE A 35 -20.543 7.216 -20.345 1.00 4.42 C ATOM 515 CD1 ILE A 35 -18.193 6.920 -18.365 1.00 32.42 C ATOM 0 H ILE A 35 -17.485 4.726 -21.019 1.00 62.33 H new ATOM 0 HA ILE A 35 -19.639 4.896 -19.186 1.00 14.35 H new ATOM 0 HB ILE A 35 -19.048 6.520 -21.697 1.00 43.23 H new ATOM 0 HG12 ILE A 35 -17.157 6.607 -20.203 1.00 14.20 H new ATOM 0 HG13 ILE A 35 -18.018 8.131 -20.113 1.00 14.20 H new ATOM 0 HG21 ILE A 35 -20.412 8.263 -20.618 1.00 4.42 H new ATOM 0 HG22 ILE A 35 -21.357 6.788 -20.930 1.00 4.42 H new ATOM 0 HG23 ILE A 35 -20.782 7.144 -19.284 1.00 4.42 H new ATOM 0 HD11 ILE A 35 -17.327 7.381 -17.889 1.00 32.42 H new ATOM 0 HD12 ILE A 35 -19.102 7.409 -18.015 1.00 32.42 H new ATOM 0 HD13 ILE A 35 -18.228 5.861 -18.107 1.00 32.42 H new ATOM 527 N TYR A 36 -20.280 3.895 -22.247 1.00 3.42 N ATOM 528 CA TYR A 36 -21.296 3.303 -23.108 1.00 34.02 C ATOM 529 C TYR A 36 -22.014 2.160 -22.396 1.00 51.05 C ATOM 530 O TYR A 36 -23.240 2.058 -22.442 1.00 72.24 O ATOM 531 CB TYR A 36 -20.663 2.794 -24.404 1.00 55.31 C ATOM 532 CG TYR A 36 -21.079 1.387 -24.769 1.00 62.01 C ATOM 533 CD1 TYR A 36 -22.358 1.120 -25.240 1.00 75.41 C ATOM 534 CD2 TYR A 36 -20.192 0.325 -24.642 1.00 74.32 C ATOM 535 CE1 TYR A 36 -22.743 -0.165 -25.574 1.00 42.43 C ATOM 536 CE2 TYR A 36 -20.568 -0.962 -24.975 1.00 65.33 C ATOM 537 CZ TYR A 36 -21.844 -1.202 -25.441 1.00 23.04 C ATOM 538 OH TYR A 36 -22.222 -2.483 -25.772 1.00 43.01 O ATOM 0 H TYR A 36 -19.341 3.903 -22.646 1.00 3.42 H new ATOM 0 HA TYR A 36 -22.028 4.075 -23.348 1.00 34.02 H new ATOM 0 HB2 TYR A 36 -20.932 3.466 -25.219 1.00 55.31 H new ATOM 0 HB3 TYR A 36 -19.578 2.829 -24.307 1.00 55.31 H new ATOM 0 HD1 TYR A 36 -23.064 1.930 -25.347 1.00 75.41 H new ATOM 0 HD2 TYR A 36 -19.192 0.509 -24.277 1.00 74.32 H new ATOM 0 HE1 TYR A 36 -23.742 -0.356 -25.937 1.00 42.43 H new ATOM 0 HE2 TYR A 36 -19.866 -1.776 -24.871 1.00 65.33 H new ATOM 0 HH TYR A 36 -21.471 -3.095 -25.621 1.00 43.01 H new ATOM 548 N ASP A 37 -21.241 1.303 -21.739 1.00 0.23 N ATOM 549 CA ASP A 37 -21.801 0.168 -21.015 1.00 72.32 C ATOM 550 C ASP A 37 -22.444 0.620 -19.708 1.00 25.15 C ATOM 551 O ASP A 37 -23.441 0.051 -19.264 1.00 31.13 O ATOM 552 CB ASP A 37 -20.714 -0.870 -20.732 1.00 32.33 C ATOM 553 CG ASP A 37 -20.961 -2.179 -21.455 1.00 62.44 C ATOM 554 OD1 ASP A 37 -21.905 -2.901 -21.071 1.00 3.42 O ATOM 555 OD2 ASP A 37 -20.209 -2.483 -22.406 1.00 34.13 O ATOM 0 H ASP A 37 -20.224 1.373 -21.693 1.00 0.23 H new ATOM 0 HA ASP A 37 -22.571 -0.285 -21.639 1.00 72.32 H new ATOM 0 HB2 ASP A 37 -19.746 -0.469 -21.033 1.00 32.33 H new ATOM 0 HB3 ASP A 37 -20.663 -1.055 -19.659 1.00 32.33 H new ATOM 560 N LYS A 38 -21.865 1.646 -19.094 1.00 4.32 N ATOM 561 CA LYS A 38 -22.379 2.176 -17.837 1.00 14.32 C ATOM 562 C LYS A 38 -23.843 2.582 -17.976 1.00 51.33 C ATOM 563 O LYS A 38 -24.678 2.220 -17.148 1.00 40.41 O ATOM 564 CB LYS A 38 -21.546 3.379 -17.387 1.00 72.41 C ATOM 565 CG LYS A 38 -20.791 3.144 -16.091 1.00 4.25 C ATOM 566 CD LYS A 38 -19.332 2.807 -16.348 1.00 63.25 C ATOM 567 CE LYS A 38 -19.123 1.307 -16.488 1.00 61.35 C ATOM 568 NZ LYS A 38 -18.425 0.731 -15.306 1.00 1.13 N ATOM 0 H LYS A 38 -21.038 2.128 -19.447 1.00 4.32 H new ATOM 0 HA LYS A 38 -22.307 1.391 -17.085 1.00 14.32 H new ATOM 0 HB2 LYS A 38 -20.833 3.631 -18.172 1.00 72.41 H new ATOM 0 HB3 LYS A 38 -22.203 4.240 -17.264 1.00 72.41 H new ATOM 0 HG2 LYS A 38 -20.855 4.034 -15.465 1.00 4.25 H new ATOM 0 HG3 LYS A 38 -21.261 2.331 -15.538 1.00 4.25 H new ATOM 0 HD2 LYS A 38 -18.996 3.309 -17.256 1.00 63.25 H new ATOM 0 HD3 LYS A 38 -18.720 3.186 -15.529 1.00 63.25 H new ATOM 0 HE2 LYS A 38 -20.088 0.816 -16.614 1.00 61.35 H new ATOM 0 HE3 LYS A 38 -18.542 1.104 -17.387 1.00 61.35 H new ATOM 0 HZ1 LYS A 38 -18.032 -0.200 -15.554 1.00 1.13 H new ATOM 0 HZ2 LYS A 38 -17.654 1.365 -15.015 1.00 1.13 H new ATOM 0 HZ3 LYS A 38 -19.100 0.624 -14.522 1.00 1.13 H new ATOM 582 N GLU A 39 -24.146 3.334 -19.030 1.00 12.42 N ATOM 583 CA GLU A 39 -25.510 3.788 -19.277 1.00 2.03 C ATOM 584 C GLU A 39 -26.159 2.977 -20.394 1.00 72.40 C ATOM 585 O GLU A 39 -27.217 2.377 -20.206 1.00 61.14 O ATOM 586 CB GLU A 39 -25.519 5.274 -19.640 1.00 4.44 C ATOM 587 CG GLU A 39 -24.295 6.029 -19.146 1.00 73.33 C ATOM 588 CD GLU A 39 -24.253 6.148 -17.635 1.00 73.52 C ATOM 589 OE1 GLU A 39 -24.410 5.112 -16.955 1.00 21.12 O ATOM 590 OE2 GLU A 39 -24.064 7.275 -17.133 1.00 53.02 O ATOM 0 H GLU A 39 -23.466 3.641 -19.726 1.00 12.42 H new ATOM 0 HA GLU A 39 -26.085 3.641 -18.363 1.00 2.03 H new ATOM 0 HB2 GLU A 39 -25.585 5.374 -20.723 1.00 4.44 H new ATOM 0 HB3 GLU A 39 -26.414 5.736 -19.222 1.00 4.44 H new ATOM 0 HG2 GLU A 39 -23.395 5.520 -19.492 1.00 73.33 H new ATOM 0 HG3 GLU A 39 -24.286 7.026 -19.586 1.00 73.33 H new ATOM 597 N GLY A 40 -25.517 2.964 -21.558 1.00 71.34 N ATOM 598 CA GLY A 40 -26.046 2.224 -22.689 1.00 55.13 C ATOM 599 C GLY A 40 -26.269 3.103 -23.904 1.00 12.21 C ATOM 600 O GLY A 40 -27.310 3.020 -24.556 1.00 73.21 O ATOM 0 H GLY A 40 -24.640 3.453 -21.738 1.00 71.34 H new ATOM 0 HA2 GLY A 40 -25.357 1.420 -22.948 1.00 55.13 H new ATOM 0 HA3 GLY A 40 -26.989 1.757 -22.405 1.00 55.13 H new ATOM 604 N ILE A 41 -25.290 3.949 -24.208 1.00 34.14 N ATOM 605 CA ILE A 41 -25.385 4.847 -25.352 1.00 12.25 C ATOM 606 C ILE A 41 -24.237 4.617 -26.328 1.00 61.11 C ATOM 607 O ILE A 41 -23.176 4.105 -25.968 1.00 53.43 O ATOM 608 CB ILE A 41 -25.381 6.323 -24.910 1.00 61.25 C ATOM 609 CG1 ILE A 41 -24.330 6.549 -23.821 1.00 52.25 C ATOM 610 CG2 ILE A 41 -26.760 6.732 -24.416 1.00 74.14 C ATOM 611 CD1 ILE A 41 -23.651 7.898 -23.908 1.00 13.21 C ATOM 0 H ILE A 41 -24.422 4.031 -23.678 1.00 34.14 H new ATOM 0 HA ILE A 41 -26.330 4.627 -25.849 1.00 12.25 H new ATOM 0 HB ILE A 41 -25.126 6.943 -25.769 1.00 61.25 H new ATOM 0 HG12 ILE A 41 -24.804 6.452 -22.844 1.00 52.25 H new ATOM 0 HG13 ILE A 41 -23.575 5.766 -23.888 1.00 52.25 H new ATOM 0 HG21 ILE A 41 -26.741 7.777 -24.107 1.00 74.14 H new ATOM 0 HG22 ILE A 41 -27.487 6.604 -25.218 1.00 74.14 H new ATOM 0 HG23 ILE A 41 -27.042 6.108 -23.568 1.00 74.14 H new ATOM 0 HD11 ILE A 41 -22.919 7.989 -23.106 1.00 13.21 H new ATOM 0 HD12 ILE A 41 -23.148 7.991 -24.871 1.00 13.21 H new ATOM 0 HD13 ILE A 41 -24.396 8.687 -23.810 1.00 13.21 H new ATOM 623 N PRO A 42 -24.450 5.004 -27.594 1.00 53.43 N ATOM 624 CA PRO A 42 -23.444 4.852 -28.649 1.00 5.40 C ATOM 625 C PRO A 42 -22.258 5.792 -28.458 1.00 64.30 C ATOM 626 O PRO A 42 -22.393 7.015 -28.484 1.00 53.10 O ATOM 627 CB PRO A 42 -24.210 5.211 -29.925 1.00 24.12 C ATOM 628 CG PRO A 42 -25.312 6.103 -29.467 1.00 64.31 C ATOM 629 CD PRO A 42 -25.691 5.621 -28.094 1.00 4.22 C ATOM 0 HA PRO A 42 -23.015 3.850 -28.661 1.00 5.40 H new ATOM 0 HB2 PRO A 42 -23.566 5.716 -30.645 1.00 24.12 H new ATOM 0 HB3 PRO A 42 -24.600 4.320 -30.416 1.00 24.12 H new ATOM 0 HG2 PRO A 42 -24.986 7.143 -29.440 1.00 64.31 H new ATOM 0 HG3 PRO A 42 -26.163 6.053 -30.147 1.00 64.31 H new ATOM 0 HD2 PRO A 42 -26.017 6.442 -27.456 1.00 4.22 H new ATOM 0 HD3 PRO A 42 -26.510 4.903 -28.132 1.00 4.22 H new ATOM 637 N PRO A 43 -21.066 5.209 -28.262 1.00 24.32 N ATOM 638 CA PRO A 43 -19.832 5.976 -28.064 1.00 33.13 C ATOM 639 C PRO A 43 -19.384 6.690 -29.334 1.00 4.30 C ATOM 640 O PRO A 43 -18.741 7.739 -29.274 1.00 23.52 O ATOM 641 CB PRO A 43 -18.811 4.909 -27.662 1.00 34.45 C ATOM 642 CG PRO A 43 -19.331 3.645 -28.255 1.00 62.21 C ATOM 643 CD PRO A 43 -20.830 3.756 -28.219 1.00 20.22 C ATOM 0 HA PRO A 43 -19.957 6.766 -27.323 1.00 33.13 H new ATOM 0 HB2 PRO A 43 -17.818 5.147 -28.045 1.00 34.45 H new ATOM 0 HB3 PRO A 43 -18.725 4.832 -26.578 1.00 34.45 H new ATOM 0 HG2 PRO A 43 -18.974 3.518 -29.277 1.00 62.21 H new ATOM 0 HG3 PRO A 43 -18.990 2.779 -27.688 1.00 62.21 H new ATOM 0 HD2 PRO A 43 -21.291 3.249 -29.067 1.00 20.22 H new ATOM 0 HD3 PRO A 43 -21.244 3.308 -27.316 1.00 20.22 H new ATOM 651 N ASP A 44 -19.727 6.117 -30.482 1.00 41.11 N ATOM 652 CA ASP A 44 -19.361 6.700 -31.768 1.00 4.55 C ATOM 653 C ASP A 44 -20.286 7.860 -32.122 1.00 35.03 C ATOM 654 O ASP A 44 -19.986 8.657 -33.010 1.00 4.25 O ATOM 655 CB ASP A 44 -19.410 5.638 -32.867 1.00 31.15 C ATOM 656 CG ASP A 44 -18.699 6.079 -34.131 1.00 13.21 C ATOM 657 OD1 ASP A 44 -17.656 6.756 -34.019 1.00 53.40 O ATOM 658 OD2 ASP A 44 -19.187 5.748 -35.232 1.00 44.23 O ATOM 0 H ASP A 44 -20.258 5.249 -30.549 1.00 41.11 H new ATOM 0 HA ASP A 44 -18.343 7.082 -31.689 1.00 4.55 H new ATOM 0 HB2 ASP A 44 -18.955 4.718 -32.500 1.00 31.15 H new ATOM 0 HB3 ASP A 44 -20.450 5.408 -33.100 1.00 31.15 H new ATOM 663 N GLN A 45 -21.413 7.946 -31.422 1.00 73.32 N ATOM 664 CA GLN A 45 -22.384 9.007 -31.665 1.00 24.33 C ATOM 665 C GLN A 45 -22.256 10.110 -30.620 1.00 10.32 C ATOM 666 O GLN A 45 -22.820 11.193 -30.776 1.00 44.11 O ATOM 667 CB GLN A 45 -23.804 8.440 -31.654 1.00 73.21 C ATOM 668 CG GLN A 45 -24.261 7.917 -33.007 1.00 23.35 C ATOM 669 CD GLN A 45 -25.170 6.709 -32.889 1.00 2.43 C ATOM 670 OE1 GLN A 45 -26.386 6.845 -32.747 1.00 25.30 O ATOM 671 NE2 GLN A 45 -24.584 5.519 -32.947 1.00 52.01 N ATOM 0 H GLN A 45 -21.676 7.294 -30.683 1.00 73.32 H new ATOM 0 HA GLN A 45 -22.179 9.435 -32.646 1.00 24.33 H new ATOM 0 HB2 GLN A 45 -23.858 7.632 -30.924 1.00 73.21 H new ATOM 0 HB3 GLN A 45 -24.494 9.216 -31.322 1.00 73.21 H new ATOM 0 HG2 GLN A 45 -24.784 8.710 -33.541 1.00 23.35 H new ATOM 0 HG3 GLN A 45 -23.388 7.653 -33.604 1.00 23.35 H new ATOM 0 HE21 GLN A 45 -23.573 5.454 -33.066 1.00 52.01 H new ATOM 0 HE22 GLN A 45 -25.145 4.670 -32.873 1.00 52.01 H new ATOM 680 N GLN A 46 -21.512 9.827 -29.555 1.00 55.32 N ATOM 681 CA GLN A 46 -21.313 10.796 -28.484 1.00 45.42 C ATOM 682 C GLN A 46 -19.903 11.378 -28.532 1.00 73.41 C ATOM 683 O GLN A 46 -18.989 10.769 -29.089 1.00 11.24 O ATOM 684 CB GLN A 46 -21.562 10.143 -27.124 1.00 3.34 C ATOM 685 CG GLN A 46 -20.639 8.970 -26.834 1.00 54.00 C ATOM 686 CD GLN A 46 -19.791 9.186 -25.597 1.00 4.53 C ATOM 687 OE1 GLN A 46 -18.779 10.038 -25.714 1.00 11.34 O flip ATOM 688 NE2 GLN A 46 -20.041 8.594 -24.547 1.00 41.52 N flip ATOM 0 H GLN A 46 -21.038 8.935 -29.411 1.00 55.32 H new ATOM 0 HA GLN A 46 -22.027 11.608 -28.625 1.00 45.42 H new ATOM 0 HB2 GLN A 46 -21.440 10.893 -26.342 1.00 3.34 H new ATOM 0 HB3 GLN A 46 -22.596 9.801 -27.078 1.00 3.34 H new ATOM 0 HG2 GLN A 46 -21.235 8.066 -26.708 1.00 54.00 H new ATOM 0 HG3 GLN A 46 -19.987 8.805 -27.692 1.00 54.00 H new ATOM 0 HE21 GLN A 46 -20.829 7.948 -24.501 1.00 41.52 H new ATOM 0 HE22 GLN A 46 -19.460 8.750 -23.723 1.00 41.52 H new ATOM 697 N ARG A 47 -19.735 12.558 -27.946 1.00 13.43 N ATOM 698 CA ARG A 47 -18.438 13.222 -27.923 1.00 44.41 C ATOM 699 C ARG A 47 -18.226 13.957 -26.603 1.00 2.14 C ATOM 700 O ARG A 47 -19.176 14.206 -25.859 1.00 25.54 O ATOM 701 CB ARG A 47 -18.323 14.205 -29.090 1.00 13.12 C ATOM 702 CG ARG A 47 -18.388 13.540 -30.455 1.00 32.00 C ATOM 703 CD ARG A 47 -19.808 13.521 -30.998 1.00 73.14 C ATOM 704 NE ARG A 47 -19.933 12.663 -32.173 1.00 72.53 N ATOM 705 CZ ARG A 47 -19.569 13.033 -33.396 1.00 71.40 C ATOM 706 NH1 ARG A 47 -19.060 14.239 -33.603 1.00 5.01 N ATOM 707 NH2 ARG A 47 -19.714 12.195 -34.415 1.00 22.12 N ATOM 0 H ARG A 47 -20.481 13.074 -27.480 1.00 13.43 H new ATOM 0 HA ARG A 47 -17.666 12.459 -28.022 1.00 44.41 H new ATOM 0 HB2 ARG A 47 -19.124 14.940 -29.015 1.00 13.12 H new ATOM 0 HB3 ARG A 47 -17.382 14.749 -29.005 1.00 13.12 H new ATOM 0 HG2 ARG A 47 -17.738 14.071 -31.151 1.00 32.00 H new ATOM 0 HG3 ARG A 47 -18.011 12.520 -30.382 1.00 32.00 H new ATOM 0 HD2 ARG A 47 -20.489 13.173 -30.221 1.00 73.14 H new ATOM 0 HD3 ARG A 47 -20.111 14.536 -31.256 1.00 73.14 H new ATOM 0 HE ARG A 47 -20.321 11.728 -32.048 1.00 72.53 H new ATOM 0 HH11 ARG A 47 -18.947 14.886 -32.822 1.00 5.01 H new ATOM 0 HH12 ARG A 47 -18.781 14.520 -34.543 1.00 5.01 H new ATOM 0 HH21 ARG A 47 -20.105 11.266 -34.260 1.00 22.12 H new ATOM 0 HH22 ARG A 47 -19.434 12.480 -35.354 1.00 22.12 H new ATOM 721 N LEU A 48 -16.975 14.302 -26.317 1.00 61.25 N ATOM 722 CA LEU A 48 -16.638 15.008 -25.086 1.00 64.13 C ATOM 723 C LEU A 48 -16.316 16.472 -25.369 1.00 14.02 C ATOM 724 O LEU A 48 -15.748 16.803 -26.410 1.00 14.21 O ATOM 725 CB LEU A 48 -15.447 14.336 -24.400 1.00 12.14 C ATOM 726 CG LEU A 48 -15.363 12.816 -24.538 1.00 21.40 C ATOM 727 CD1 LEU A 48 -16.741 12.189 -24.389 1.00 64.02 C ATOM 728 CD2 LEU A 48 -14.744 12.435 -25.875 1.00 5.31 C ATOM 0 H LEU A 48 -16.177 14.104 -26.921 1.00 61.25 H new ATOM 0 HA LEU A 48 -17.503 14.966 -24.424 1.00 64.13 H new ATOM 0 HB2 LEU A 48 -14.531 14.768 -24.802 1.00 12.14 H new ATOM 0 HB3 LEU A 48 -15.478 14.583 -23.339 1.00 12.14 H new ATOM 0 HG LEU A 48 -14.724 12.433 -23.742 1.00 21.40 H new ATOM 0 HD11 LEU A 48 -16.661 11.107 -24.490 1.00 64.02 H new ATOM 0 HD12 LEU A 48 -17.147 12.433 -23.407 1.00 64.02 H new ATOM 0 HD13 LEU A 48 -17.403 12.578 -25.163 1.00 64.02 H new ATOM 0 HD21 LEU A 48 -14.692 11.349 -25.956 1.00 5.31 H new ATOM 0 HD22 LEU A 48 -15.357 12.830 -26.685 1.00 5.31 H new ATOM 0 HD23 LEU A 48 -13.739 12.852 -25.943 1.00 5.31 H new ATOM 740 N ILE A 49 -16.682 17.343 -24.435 1.00 3.44 N ATOM 741 CA ILE A 49 -16.429 18.771 -24.582 1.00 53.41 C ATOM 742 C ILE A 49 -15.989 19.391 -23.260 1.00 50.22 C ATOM 743 O ILE A 49 -16.670 19.258 -22.243 1.00 4.52 O ATOM 744 CB ILE A 49 -17.678 19.514 -25.094 1.00 22.13 C ATOM 745 CG1 ILE A 49 -17.681 19.557 -26.623 1.00 74.21 C ATOM 746 CG2 ILE A 49 -17.730 20.922 -24.519 1.00 24.52 C ATOM 747 CD1 ILE A 49 -18.967 19.050 -27.239 1.00 1.12 C ATOM 0 H ILE A 49 -17.155 17.085 -23.569 1.00 3.44 H new ATOM 0 HA ILE A 49 -15.628 18.876 -25.314 1.00 53.41 H new ATOM 0 HB ILE A 49 -18.565 18.974 -24.762 1.00 22.13 H new ATOM 0 HG12 ILE A 49 -17.511 20.583 -26.950 1.00 74.21 H new ATOM 0 HG13 ILE A 49 -16.849 18.961 -26.997 1.00 74.21 H new ATOM 0 HG21 ILE A 49 -18.618 21.434 -24.890 1.00 24.52 H new ATOM 0 HG22 ILE A 49 -17.769 20.869 -23.431 1.00 24.52 H new ATOM 0 HG23 ILE A 49 -16.840 21.473 -24.824 1.00 24.52 H new ATOM 0 HD11 ILE A 49 -18.898 19.109 -28.325 1.00 1.12 H new ATOM 0 HD12 ILE A 49 -19.129 18.014 -26.942 1.00 1.12 H new ATOM 0 HD13 ILE A 49 -19.801 19.661 -26.894 1.00 1.12 H new ATOM 759 N PHE A 50 -14.847 20.070 -23.283 1.00 0.33 N ATOM 760 CA PHE A 50 -14.316 20.712 -22.086 1.00 45.20 C ATOM 761 C PHE A 50 -13.979 22.175 -22.358 1.00 3.52 C ATOM 762 O PHE A 50 -13.167 22.486 -23.229 1.00 21.45 O ATOM 763 CB PHE A 50 -13.069 19.973 -21.596 1.00 20.23 C ATOM 764 CG PHE A 50 -12.754 20.223 -20.149 1.00 3.33 C ATOM 765 CD1 PHE A 50 -12.429 21.496 -19.707 1.00 60.11 C ATOM 766 CD2 PHE A 50 -12.783 19.187 -19.230 1.00 65.51 C ATOM 767 CE1 PHE A 50 -12.138 21.729 -18.376 1.00 63.13 C ATOM 768 CE2 PHE A 50 -12.493 19.414 -17.898 1.00 25.42 C ATOM 769 CZ PHE A 50 -12.171 20.687 -17.470 1.00 63.34 C ATOM 0 H PHE A 50 -14.272 20.190 -24.117 1.00 0.33 H new ATOM 0 HA PHE A 50 -15.082 20.671 -21.312 1.00 45.20 H new ATOM 0 HB2 PHE A 50 -13.207 18.903 -21.750 1.00 20.23 H new ATOM 0 HB3 PHE A 50 -12.215 20.275 -22.203 1.00 20.23 H new ATOM 0 HD1 PHE A 50 -12.403 22.315 -20.411 1.00 60.11 H new ATOM 0 HD2 PHE A 50 -13.035 18.190 -19.558 1.00 65.51 H new ATOM 0 HE1 PHE A 50 -11.885 22.725 -18.045 1.00 63.13 H new ATOM 0 HE2 PHE A 50 -12.518 18.597 -17.192 1.00 25.42 H new ATOM 0 HZ PHE A 50 -11.946 20.867 -16.429 1.00 63.34 H new ATOM 779 N GLY A 51 -14.610 23.072 -21.605 1.00 70.32 N ATOM 780 CA GLY A 51 -14.365 24.491 -21.780 1.00 13.41 C ATOM 781 C GLY A 51 -14.886 25.011 -23.105 1.00 72.34 C ATOM 782 O GLY A 51 -14.634 26.157 -23.473 1.00 40.22 O ATOM 0 H GLY A 51 -15.286 22.840 -20.877 1.00 70.32 H new ATOM 0 HA2 GLY A 51 -14.838 25.041 -20.966 1.00 13.41 H new ATOM 0 HA3 GLY A 51 -13.294 24.682 -21.714 1.00 13.41 H new ATOM 786 N GLY A 52 -15.615 24.163 -23.826 1.00 44.53 N ATOM 787 CA GLY A 52 -16.159 24.561 -25.111 1.00 71.04 C ATOM 788 C GLY A 52 -15.558 23.779 -26.263 1.00 11.24 C ATOM 789 O GLY A 52 -16.209 23.567 -27.286 1.00 21.31 O ATOM 0 H GLY A 52 -15.838 23.209 -23.543 1.00 44.53 H new ATOM 0 HA2 GLY A 52 -17.240 24.419 -25.104 1.00 71.04 H new ATOM 0 HA3 GLY A 52 -15.978 25.625 -25.265 1.00 71.04 H new ATOM 793 N LYS A 53 -14.311 23.351 -26.097 1.00 73.45 N ATOM 794 CA LYS A 53 -13.621 22.588 -27.131 1.00 3.13 C ATOM 795 C LYS A 53 -13.776 21.089 -26.896 1.00 23.12 C ATOM 796 O LYS A 53 -13.843 20.635 -25.754 1.00 34.10 O ATOM 797 CB LYS A 53 -12.136 22.959 -27.161 1.00 54.54 C ATOM 798 CG LYS A 53 -11.449 22.828 -25.813 1.00 44.35 C ATOM 799 CD LYS A 53 -10.844 21.446 -25.628 1.00 15.41 C ATOM 800 CE LYS A 53 -9.721 21.191 -26.621 1.00 50.40 C ATOM 801 NZ LYS A 53 -8.580 20.469 -25.994 1.00 21.31 N ATOM 0 H LYS A 53 -13.758 23.519 -25.257 1.00 73.45 H new ATOM 0 HA LYS A 53 -14.071 22.836 -28.092 1.00 3.13 H new ATOM 0 HB2 LYS A 53 -11.625 22.322 -27.883 1.00 54.54 H new ATOM 0 HB3 LYS A 53 -12.034 23.985 -27.513 1.00 54.54 H new ATOM 0 HG2 LYS A 53 -10.667 23.583 -25.727 1.00 44.35 H new ATOM 0 HG3 LYS A 53 -12.168 23.021 -25.017 1.00 44.35 H new ATOM 0 HD2 LYS A 53 -10.462 21.348 -24.612 1.00 15.41 H new ATOM 0 HD3 LYS A 53 -11.619 20.689 -25.751 1.00 15.41 H new ATOM 0 HE2 LYS A 53 -10.103 20.608 -27.459 1.00 50.40 H new ATOM 0 HE3 LYS A 53 -9.371 22.141 -27.026 1.00 50.40 H new ATOM 0 HZ1 LYS A 53 -7.835 20.314 -26.703 1.00 21.31 H new ATOM 0 HZ2 LYS A 53 -8.199 21.036 -25.210 1.00 21.31 H new ATOM 0 HZ3 LYS A 53 -8.908 19.551 -25.630 1.00 21.31 H new ATOM 815 N GLN A 54 -13.830 20.327 -27.983 1.00 64.42 N ATOM 816 CA GLN A 54 -13.976 18.879 -27.894 1.00 23.42 C ATOM 817 C GLN A 54 -12.679 18.229 -27.423 1.00 21.32 C ATOM 818 O GLN A 54 -11.622 18.861 -27.415 1.00 50.32 O ATOM 819 CB GLN A 54 -14.386 18.302 -29.250 1.00 30.42 C ATOM 820 CG GLN A 54 -15.837 17.852 -29.306 1.00 13.42 C ATOM 821 CD GLN A 54 -16.290 17.515 -30.713 1.00 1.42 C ATOM 822 OE1 GLN A 54 -17.342 17.970 -31.165 1.00 25.34 O ATOM 823 NE2 GLN A 54 -15.496 16.715 -31.415 1.00 33.24 N ATOM 0 H GLN A 54 -13.775 20.688 -28.935 1.00 64.42 H new ATOM 0 HA GLN A 54 -14.756 18.662 -27.164 1.00 23.42 H new ATOM 0 HB2 GLN A 54 -14.217 19.054 -30.021 1.00 30.42 H new ATOM 0 HB3 GLN A 54 -13.742 17.454 -29.485 1.00 30.42 H new ATOM 0 HG2 GLN A 54 -15.967 16.978 -28.667 1.00 13.42 H new ATOM 0 HG3 GLN A 54 -16.473 18.640 -28.902 1.00 13.42 H new ATOM 0 HE21 GLN A 54 -14.634 16.361 -31.001 1.00 33.24 H new ATOM 0 HE22 GLN A 54 -15.748 16.454 -32.368 1.00 33.24 H new ATOM 832 N LEU A 55 -12.766 16.963 -27.030 1.00 72.30 N ATOM 833 CA LEU A 55 -11.599 16.226 -26.557 1.00 13.23 C ATOM 834 C LEU A 55 -11.260 15.078 -27.502 1.00 2.02 C ATOM 835 O LEU A 55 -12.112 14.248 -27.815 1.00 60.33 O ATOM 836 CB LEU A 55 -11.850 15.685 -25.148 1.00 40.20 C ATOM 837 CG LEU A 55 -12.291 16.711 -24.104 1.00 3.35 C ATOM 838 CD1 LEU A 55 -12.344 16.078 -22.722 1.00 71.41 C ATOM 839 CD2 LEU A 55 -11.354 17.911 -24.106 1.00 75.12 C ATOM 0 H LEU A 55 -13.633 16.425 -27.029 1.00 72.30 H new ATOM 0 HA LEU A 55 -10.753 16.912 -26.531 1.00 13.23 H new ATOM 0 HB2 LEU A 55 -12.612 14.908 -25.209 1.00 40.20 H new ATOM 0 HB3 LEU A 55 -10.936 15.208 -24.796 1.00 40.20 H new ATOM 0 HG LEU A 55 -13.292 17.056 -24.363 1.00 3.35 H new ATOM 0 HD11 LEU A 55 -12.660 16.824 -21.992 1.00 71.41 H new ATOM 0 HD12 LEU A 55 -13.055 15.252 -22.727 1.00 71.41 H new ATOM 0 HD13 LEU A 55 -11.355 15.705 -22.455 1.00 71.41 H new ATOM 0 HD21 LEU A 55 -11.683 18.631 -23.357 1.00 75.12 H new ATOM 0 HD22 LEU A 55 -10.341 17.582 -23.873 1.00 75.12 H new ATOM 0 HD23 LEU A 55 -11.366 18.380 -25.090 1.00 75.12 H new ATOM 851 N GLU A 56 -10.009 15.037 -27.950 1.00 41.40 N ATOM 852 CA GLU A 56 -9.557 13.990 -28.858 1.00 73.41 C ATOM 853 C GLU A 56 -9.589 12.626 -28.174 1.00 71.11 C ATOM 854 O GLU A 56 -10.042 12.501 -27.036 1.00 61.32 O ATOM 855 CB GLU A 56 -8.142 14.290 -29.355 1.00 42.24 C ATOM 856 CG GLU A 56 -7.990 15.677 -29.957 1.00 42.11 C ATOM 857 CD GLU A 56 -6.767 15.796 -30.846 1.00 52.42 C ATOM 858 OE1 GLU A 56 -6.055 14.785 -31.016 1.00 33.20 O ATOM 859 OE2 GLU A 56 -6.523 16.902 -31.373 1.00 1.45 O ATOM 0 H GLU A 56 -9.291 15.717 -27.699 1.00 41.40 H new ATOM 0 HA GLU A 56 -10.236 13.966 -29.710 1.00 73.41 H new ATOM 0 HB2 GLU A 56 -7.444 14.185 -28.524 1.00 42.24 H new ATOM 0 HB3 GLU A 56 -7.863 13.546 -30.101 1.00 42.24 H new ATOM 0 HG2 GLU A 56 -8.881 15.917 -30.537 1.00 42.11 H new ATOM 0 HG3 GLU A 56 -7.924 16.412 -29.155 1.00 42.11 H new ATOM 866 N ASP A 57 -9.106 11.607 -28.876 1.00 43.24 N ATOM 867 CA ASP A 57 -9.078 10.252 -28.338 1.00 3.20 C ATOM 868 C ASP A 57 -8.006 10.118 -27.261 1.00 31.44 C ATOM 869 O ASP A 57 -8.102 9.264 -26.379 1.00 62.21 O ATOM 870 CB ASP A 57 -8.823 9.241 -29.457 1.00 13.01 C ATOM 871 CG ASP A 57 -9.769 9.423 -30.628 1.00 1.22 C ATOM 872 OD1 ASP A 57 -9.522 10.325 -31.456 1.00 65.11 O ATOM 873 OD2 ASP A 57 -10.756 8.664 -30.717 1.00 21.44 O ATOM 0 H ASP A 57 -8.728 11.694 -29.820 1.00 43.24 H new ATOM 0 HA ASP A 57 -10.049 10.046 -27.887 1.00 3.20 H new ATOM 0 HB2 ASP A 57 -7.795 9.340 -29.805 1.00 13.01 H new ATOM 0 HB3 ASP A 57 -8.929 8.231 -29.061 1.00 13.01 H new ATOM 878 N SER A 58 -6.986 10.966 -27.339 1.00 23.22 N ATOM 879 CA SER A 58 -5.893 10.938 -26.373 1.00 52.44 C ATOM 880 C SER A 58 -5.931 12.171 -25.476 1.00 4.44 C ATOM 881 O SER A 58 -5.049 12.373 -24.642 1.00 65.50 O ATOM 882 CB SER A 58 -4.547 10.861 -27.097 1.00 32.25 C ATOM 883 OG SER A 58 -3.482 10.704 -26.175 1.00 43.44 O ATOM 0 H SER A 58 -6.893 11.681 -28.061 1.00 23.22 H new ATOM 0 HA SER A 58 -6.013 10.052 -25.749 1.00 52.44 H new ATOM 0 HB2 SER A 58 -4.554 10.025 -27.796 1.00 32.25 H new ATOM 0 HB3 SER A 58 -4.394 11.766 -27.684 1.00 32.25 H new ATOM 0 HG SER A 58 -2.633 10.656 -26.661 1.00 43.44 H new ATOM 889 N ASN A 59 -6.959 12.994 -25.653 1.00 74.12 N ATOM 890 CA ASN A 59 -7.113 14.208 -24.860 1.00 41.22 C ATOM 891 C ASN A 59 -7.797 13.906 -23.530 1.00 42.52 C ATOM 892 O ASN A 59 -8.986 14.173 -23.358 1.00 22.24 O ATOM 893 CB ASN A 59 -7.920 15.251 -25.637 1.00 30.34 C ATOM 894 CG ASN A 59 -7.801 16.638 -25.037 1.00 2.34 C ATOM 895 OD1 ASN A 59 -8.328 16.907 -23.957 1.00 4.22 O ATOM 896 ND2 ASN A 59 -7.106 17.528 -25.736 1.00 70.45 N ATOM 0 H ASN A 59 -7.698 12.842 -26.339 1.00 74.12 H new ATOM 0 HA ASN A 59 -6.119 14.607 -24.655 1.00 41.22 H new ATOM 0 HB2 ASN A 59 -7.577 15.275 -26.671 1.00 30.34 H new ATOM 0 HB3 ASN A 59 -8.969 14.955 -25.656 1.00 30.34 H new ATOM 0 HD21 ASN A 59 -6.992 18.478 -25.382 1.00 70.45 H new ATOM 0 HD22 ASN A 59 -6.686 17.262 -26.627 1.00 70.45 H new ATOM 903 N ALA A 60 -7.037 13.350 -22.593 1.00 64.41 N ATOM 904 CA ALA A 60 -7.568 13.014 -21.278 1.00 11.21 C ATOM 905 C ALA A 60 -6.457 12.565 -20.335 1.00 0.31 C ATOM 906 O ALA A 60 -5.970 13.347 -19.518 1.00 71.52 O ATOM 907 CB ALA A 60 -8.630 11.931 -21.398 1.00 52.44 C ATOM 0 H ALA A 60 -6.051 13.123 -22.720 1.00 64.41 H new ATOM 0 HA ALA A 60 -8.025 13.911 -20.859 1.00 11.21 H new ATOM 0 HB1 ALA A 60 -9.018 11.690 -20.408 1.00 52.44 H new ATOM 0 HB2 ALA A 60 -9.444 12.288 -22.029 1.00 52.44 H new ATOM 0 HB3 ALA A 60 -8.190 11.038 -21.843 1.00 52.44 H new ATOM 913 N MET A 61 -6.061 11.302 -20.453 1.00 51.22 N ATOM 914 CA MET A 61 -5.006 10.750 -19.611 1.00 15.12 C ATOM 915 C MET A 61 -3.639 11.276 -20.037 1.00 34.04 C ATOM 916 O MET A 61 -2.930 11.898 -19.246 1.00 44.14 O ATOM 917 CB MET A 61 -5.021 9.222 -19.675 1.00 24.30 C ATOM 918 CG MET A 61 -6.419 8.627 -19.685 1.00 73.32 C ATOM 919 SD MET A 61 -7.479 9.322 -18.403 1.00 31.44 S ATOM 920 CE MET A 61 -9.075 9.266 -19.215 1.00 24.23 C ATOM 0 H MET A 61 -6.455 10.642 -21.123 1.00 51.22 H new ATOM 0 HA MET A 61 -5.192 11.065 -18.584 1.00 15.12 H new ATOM 0 HB2 MET A 61 -4.491 8.899 -20.571 1.00 24.30 H new ATOM 0 HB3 MET A 61 -4.473 8.826 -18.820 1.00 24.30 H new ATOM 0 HG2 MET A 61 -6.875 8.798 -20.660 1.00 73.32 H new ATOM 0 HG3 MET A 61 -6.351 7.548 -19.549 1.00 73.32 H new ATOM 0 HE1 MET A 61 -9.699 10.080 -18.847 1.00 24.23 H new ATOM 0 HE2 MET A 61 -8.939 9.371 -20.291 1.00 24.23 H new ATOM 0 HE3 MET A 61 -9.559 8.313 -19.001 1.00 24.23 H new ATOM 930 N SER A 62 -3.276 11.022 -21.290 1.00 34.43 N ATOM 931 CA SER A 62 -1.992 11.466 -21.819 1.00 33.02 C ATOM 932 C SER A 62 -1.850 12.980 -21.699 1.00 1.23 C ATOM 933 O SER A 62 -0.751 13.498 -21.499 1.00 22.54 O ATOM 934 CB SER A 62 -1.846 11.043 -23.282 1.00 3.12 C ATOM 935 OG SER A 62 -1.165 9.805 -23.389 1.00 4.01 O ATOM 0 H SER A 62 -3.853 10.511 -21.958 1.00 34.43 H new ATOM 0 HA SER A 62 -1.203 10.997 -21.232 1.00 33.02 H new ATOM 0 HB2 SER A 62 -2.832 10.960 -23.740 1.00 3.12 H new ATOM 0 HB3 SER A 62 -1.302 11.810 -23.833 1.00 3.12 H new ATOM 0 HG SER A 62 -1.086 9.556 -24.333 1.00 4.01 H new ATOM 941 N ASP A 63 -2.969 13.685 -21.822 1.00 73.23 N ATOM 942 CA ASP A 63 -2.971 15.140 -21.727 1.00 12.03 C ATOM 943 C ASP A 63 -2.497 15.595 -20.350 1.00 64.21 C ATOM 944 O ASP A 63 -1.999 16.710 -20.191 1.00 33.11 O ATOM 945 CB ASP A 63 -4.372 15.689 -22.004 1.00 63.30 C ATOM 946 CG ASP A 63 -4.347 17.135 -22.457 1.00 55.24 C ATOM 947 OD1 ASP A 63 -3.265 17.615 -22.854 1.00 63.14 O ATOM 948 OD2 ASP A 63 -5.411 17.787 -22.416 1.00 54.31 O ATOM 0 H ASP A 63 -3.887 13.272 -21.988 1.00 73.23 H new ATOM 0 HA ASP A 63 -2.282 15.529 -22.476 1.00 12.03 H new ATOM 0 HB2 ASP A 63 -4.853 15.080 -22.769 1.00 63.30 H new ATOM 0 HB3 ASP A 63 -4.977 15.604 -21.102 1.00 63.30 H new ATOM 953 N TYR A 64 -2.654 14.725 -19.359 1.00 14.24 N ATOM 954 CA TYR A 64 -2.245 15.039 -17.995 1.00 34.34 C ATOM 955 C TYR A 64 -3.274 15.933 -17.309 1.00 71.22 C ATOM 956 O TYR A 64 -2.945 16.692 -16.399 1.00 23.32 O ATOM 957 CB TYR A 64 -0.878 15.723 -17.995 1.00 4.33 C ATOM 958 CG TYR A 64 0.071 15.181 -16.950 1.00 22.21 C ATOM 959 CD1 TYR A 64 -0.320 15.065 -15.622 1.00 21.15 C ATOM 960 CD2 TYR A 64 1.359 14.785 -17.290 1.00 73.05 C ATOM 961 CE1 TYR A 64 0.544 14.570 -14.663 1.00 53.42 C ATOM 962 CE2 TYR A 64 2.228 14.288 -16.339 1.00 63.02 C ATOM 963 CZ TYR A 64 1.816 14.183 -15.027 1.00 64.11 C ATOM 964 OH TYR A 64 2.680 13.690 -14.076 1.00 63.43 O ATOM 0 H TYR A 64 -3.061 13.797 -19.474 1.00 14.24 H new ATOM 0 HA TYR A 64 -2.176 14.104 -17.439 1.00 34.34 H new ATOM 0 HB2 TYR A 64 -0.424 15.609 -18.980 1.00 4.33 H new ATOM 0 HB3 TYR A 64 -1.016 16.791 -17.829 1.00 4.33 H new ATOM 0 HD1 TYR A 64 -1.316 15.367 -15.334 1.00 21.15 H new ATOM 0 HD2 TYR A 64 1.686 14.867 -18.316 1.00 73.05 H new ATOM 0 HE1 TYR A 64 0.224 14.487 -13.635 1.00 53.42 H new ATOM 0 HE2 TYR A 64 3.225 13.983 -16.621 1.00 63.02 H new ATOM 0 HH TYR A 64 3.535 13.463 -14.497 1.00 63.43 H new ATOM 974 N ASN A 65 -4.523 15.836 -17.754 1.00 63.13 N ATOM 975 CA ASN A 65 -5.601 16.635 -17.185 1.00 14.23 C ATOM 976 C ASN A 65 -6.600 15.752 -16.443 1.00 70.32 C ATOM 977 O ASN A 65 -7.697 16.191 -16.097 1.00 62.03 O ATOM 978 CB ASN A 65 -6.318 17.421 -18.285 1.00 4.10 C ATOM 979 CG ASN A 65 -7.157 18.556 -17.732 1.00 13.24 C ATOM 980 OD1 ASN A 65 -8.372 18.426 -17.577 1.00 42.51 O ATOM 981 ND2 ASN A 65 -6.512 19.677 -17.430 1.00 40.05 N ATOM 0 H ASN A 65 -4.813 15.212 -18.507 1.00 63.13 H new ATOM 0 HA ASN A 65 -5.163 17.335 -16.474 1.00 14.23 H new ATOM 0 HB2 ASN A 65 -5.581 17.823 -18.980 1.00 4.10 H new ATOM 0 HB3 ASN A 65 -6.956 16.745 -18.854 1.00 4.10 H new ATOM 0 HD21 ASN A 65 -7.024 20.475 -17.053 1.00 40.05 H new ATOM 0 HD22 ASN A 65 -5.504 19.740 -17.575 1.00 40.05 H new ATOM 988 N VAL A 66 -6.212 14.503 -16.201 1.00 50.55 N ATOM 989 CA VAL A 66 -7.072 13.558 -15.499 1.00 43.04 C ATOM 990 C VAL A 66 -6.853 13.631 -13.992 1.00 71.24 C ATOM 991 O VAL A 66 -5.731 13.477 -13.511 1.00 32.14 O ATOM 992 CB VAL A 66 -6.823 12.114 -15.974 1.00 71.01 C ATOM 993 CG1 VAL A 66 -5.395 11.689 -15.667 1.00 52.20 C ATOM 994 CG2 VAL A 66 -7.821 11.163 -15.331 1.00 31.02 C ATOM 0 H VAL A 66 -5.308 14.123 -16.481 1.00 50.55 H new ATOM 0 HA VAL A 66 -8.101 13.835 -15.727 1.00 43.04 H new ATOM 0 HB VAL A 66 -6.963 12.076 -17.054 1.00 71.01 H new ATOM 0 HG11 VAL A 66 -5.238 10.666 -16.010 1.00 52.20 H new ATOM 0 HG12 VAL A 66 -4.699 12.354 -16.179 1.00 52.20 H new ATOM 0 HG13 VAL A 66 -5.223 11.742 -14.592 1.00 52.20 H new ATOM 0 HG21 VAL A 66 -7.631 10.147 -15.678 1.00 31.02 H new ATOM 0 HG22 VAL A 66 -7.715 11.202 -14.247 1.00 31.02 H new ATOM 0 HG23 VAL A 66 -8.834 11.457 -15.607 1.00 31.02 H new ATOM 1004 N GLN A 67 -7.933 13.866 -13.254 1.00 61.20 N ATOM 1005 CA GLN A 67 -7.859 13.959 -11.801 1.00 5.02 C ATOM 1006 C GLN A 67 -8.794 12.950 -11.142 1.00 2.50 C ATOM 1007 O GLN A 67 -9.456 12.166 -11.821 1.00 61.43 O ATOM 1008 CB GLN A 67 -8.210 15.375 -11.341 1.00 34.12 C ATOM 1009 CG GLN A 67 -9.647 15.773 -11.640 1.00 63.53 C ATOM 1010 CD GLN A 67 -10.108 16.959 -10.817 1.00 24.13 C ATOM 1011 OE1 GLN A 67 -10.362 16.836 -9.618 1.00 73.12 O ATOM 1012 NE2 GLN A 67 -10.217 18.117 -11.456 1.00 52.35 N ATOM 0 H GLN A 67 -8.869 13.995 -13.638 1.00 61.20 H new ATOM 0 HA GLN A 67 -6.837 13.730 -11.499 1.00 5.02 H new ATOM 0 HB2 GLN A 67 -8.036 15.453 -10.268 1.00 34.12 H new ATOM 0 HB3 GLN A 67 -7.537 16.083 -11.825 1.00 34.12 H new ATOM 0 HG2 GLN A 67 -9.741 16.012 -12.699 1.00 63.53 H new ATOM 0 HG3 GLN A 67 -10.303 14.924 -11.446 1.00 63.53 H new ATOM 0 HE21 GLN A 67 -9.996 18.174 -12.450 1.00 52.35 H new ATOM 0 HE22 GLN A 67 -10.522 18.950 -10.953 1.00 52.35 H new ATOM 1021 N LYS A 68 -8.843 12.976 -9.814 1.00 54.55 N ATOM 1022 CA LYS A 68 -9.698 12.066 -9.062 1.00 70.53 C ATOM 1023 C LYS A 68 -11.171 12.347 -9.340 1.00 71.04 C ATOM 1024 O LYS A 68 -12.003 11.441 -9.304 1.00 24.32 O ATOM 1025 CB LYS A 68 -9.418 12.192 -7.563 1.00 61.41 C ATOM 1026 CG LYS A 68 -10.018 11.068 -6.736 1.00 11.24 C ATOM 1027 CD LYS A 68 -9.338 9.740 -7.022 1.00 73.13 C ATOM 1028 CE LYS A 68 -8.060 9.582 -6.214 1.00 3.23 C ATOM 1029 NZ LYS A 68 -8.323 9.611 -4.748 1.00 70.13 N ATOM 0 H LYS A 68 -8.300 13.618 -9.237 1.00 54.55 H new ATOM 0 HA LYS A 68 -9.474 11.049 -9.383 1.00 70.53 H new ATOM 0 HB2 LYS A 68 -8.340 12.213 -7.404 1.00 61.41 H new ATOM 0 HB3 LYS A 68 -9.812 13.144 -7.207 1.00 61.41 H new ATOM 0 HG2 LYS A 68 -9.924 11.305 -5.676 1.00 11.24 H new ATOM 0 HG3 LYS A 68 -11.083 10.986 -6.951 1.00 11.24 H new ATOM 0 HD2 LYS A 68 -10.021 8.923 -6.788 1.00 73.13 H new ATOM 0 HD3 LYS A 68 -9.108 9.669 -8.085 1.00 73.13 H new ATOM 0 HE2 LYS A 68 -7.578 8.641 -6.478 1.00 3.23 H new ATOM 0 HE3 LYS A 68 -7.365 10.380 -6.474 1.00 3.23 H new ATOM 0 HZ1 LYS A 68 -7.874 8.788 -4.298 1.00 70.13 H new ATOM 0 HZ2 LYS A 68 -7.930 10.484 -4.342 1.00 70.13 H new ATOM 0 HZ3 LYS A 68 -9.349 9.581 -4.579 1.00 70.13 H new ATOM 1043 N GLU A 69 -11.486 13.608 -9.620 1.00 3.15 N ATOM 1044 CA GLU A 69 -12.859 14.007 -9.904 1.00 40.15 C ATOM 1045 C GLU A 69 -12.893 15.208 -10.845 1.00 4.30 C ATOM 1046 O GLU A 69 -13.001 16.352 -10.404 1.00 54.42 O ATOM 1047 CB GLU A 69 -13.596 14.341 -8.606 1.00 53.31 C ATOM 1048 CG GLU A 69 -12.799 15.227 -7.664 1.00 23.02 C ATOM 1049 CD GLU A 69 -13.656 16.278 -6.985 1.00 63.05 C ATOM 1050 OE1 GLU A 69 -14.350 15.934 -6.006 1.00 55.31 O ATOM 1051 OE2 GLU A 69 -13.632 17.443 -7.434 1.00 12.25 O ATOM 0 H GLU A 69 -10.809 14.370 -9.656 1.00 3.15 H new ATOM 0 HA GLU A 69 -13.359 13.171 -10.392 1.00 40.15 H new ATOM 0 HB2 GLU A 69 -14.536 14.837 -8.849 1.00 53.31 H new ATOM 0 HB3 GLU A 69 -13.848 13.413 -8.092 1.00 53.31 H new ATOM 0 HG2 GLU A 69 -12.322 14.607 -6.905 1.00 23.02 H new ATOM 0 HG3 GLU A 69 -12.002 15.719 -8.221 1.00 23.02 H new ATOM 1058 N SER A 70 -12.798 14.939 -12.143 1.00 64.11 N ATOM 1059 CA SER A 70 -12.813 15.997 -13.146 1.00 64.15 C ATOM 1060 C SER A 70 -14.201 16.142 -13.762 1.00 40.21 C ATOM 1061 O SER A 70 -14.870 15.151 -14.057 1.00 43.12 O ATOM 1062 CB SER A 70 -11.785 15.705 -14.241 1.00 62.05 C ATOM 1063 OG SER A 70 -10.992 16.847 -14.514 1.00 43.22 O ATOM 0 H SER A 70 -12.710 13.997 -12.525 1.00 64.11 H new ATOM 0 HA SER A 70 -12.553 16.934 -12.654 1.00 64.15 H new ATOM 0 HB2 SER A 70 -11.144 14.879 -13.932 1.00 62.05 H new ATOM 0 HB3 SER A 70 -12.297 15.388 -15.150 1.00 62.05 H new ATOM 0 HG SER A 70 -10.342 16.634 -15.216 1.00 43.22 H new ATOM 1069 N THR A 71 -14.629 17.386 -13.953 1.00 54.25 N ATOM 1070 CA THR A 71 -15.938 17.663 -14.532 1.00 41.34 C ATOM 1071 C THR A 71 -15.839 17.875 -16.039 1.00 1.12 C ATOM 1072 O THR A 71 -15.212 18.829 -16.502 1.00 72.12 O ATOM 1073 CB THR A 71 -16.584 18.906 -13.892 1.00 43.50 C ATOM 1074 OG1 THR A 71 -15.621 19.962 -13.791 1.00 61.32 O ATOM 1075 CG2 THR A 71 -17.133 18.580 -12.511 1.00 43.53 C ATOM 0 H THR A 71 -14.088 18.218 -13.715 1.00 54.25 H new ATOM 0 HA THR A 71 -16.563 16.793 -14.330 1.00 41.34 H new ATOM 0 HB THR A 71 -17.409 19.227 -14.527 1.00 43.50 H new ATOM 0 HG1 THR A 71 -15.161 20.068 -14.650 1.00 61.32 H new ATOM 0 HG21 THR A 71 -17.584 19.473 -12.079 1.00 43.53 H new ATOM 0 HG22 THR A 71 -17.886 17.797 -12.595 1.00 43.53 H new ATOM 0 HG23 THR A 71 -16.322 18.236 -11.869 1.00 43.53 H new ATOM 1083 N LEU A 72 -16.461 16.981 -16.799 1.00 53.22 N ATOM 1084 CA LEU A 72 -16.444 17.071 -18.255 1.00 71.22 C ATOM 1085 C LEU A 72 -17.860 17.026 -18.820 1.00 51.23 C ATOM 1086 O LEU A 72 -18.738 16.358 -18.273 1.00 3.04 O ATOM 1087 CB LEU A 72 -15.611 15.932 -18.846 1.00 41.10 C ATOM 1088 CG LEU A 72 -15.910 15.566 -20.300 1.00 41.12 C ATOM 1089 CD1 LEU A 72 -15.547 16.717 -21.226 1.00 14.13 C ATOM 1090 CD2 LEU A 72 -15.160 14.303 -20.698 1.00 4.25 C ATOM 0 H LEU A 72 -16.983 16.186 -16.432 1.00 53.22 H new ATOM 0 HA LEU A 72 -15.993 18.024 -18.530 1.00 71.22 H new ATOM 0 HB2 LEU A 72 -14.558 16.202 -18.769 1.00 41.10 H new ATOM 0 HB3 LEU A 72 -15.758 15.044 -18.231 1.00 41.10 H new ATOM 0 HG LEU A 72 -16.979 15.374 -20.393 1.00 41.12 H new ATOM 0 HD11 LEU A 72 -15.767 16.438 -22.257 1.00 14.13 H new ATOM 0 HD12 LEU A 72 -16.129 17.598 -20.957 1.00 14.13 H new ATOM 0 HD13 LEU A 72 -14.485 16.941 -21.129 1.00 14.13 H new ATOM 0 HD21 LEU A 72 -15.385 14.058 -21.736 1.00 4.25 H new ATOM 0 HD22 LEU A 72 -14.088 14.467 -20.588 1.00 4.25 H new ATOM 0 HD23 LEU A 72 -15.469 13.479 -20.055 1.00 4.25 H new ATOM 1102 N HIS A 73 -18.076 17.740 -19.921 1.00 5.45 N ATOM 1103 CA HIS A 73 -19.385 17.780 -20.562 1.00 42.11 C ATOM 1104 C HIS A 73 -19.454 16.787 -21.719 1.00 5.34 C ATOM 1105 O HIS A 73 -18.680 16.875 -22.673 1.00 4.12 O ATOM 1106 CB HIS A 73 -19.686 19.191 -21.068 1.00 1.34 C ATOM 1107 CG HIS A 73 -19.520 20.250 -20.022 1.00 0.44 C ATOM 1108 ND1 HIS A 73 -19.343 21.584 -20.323 1.00 1.34 N ATOM 1109 CD2 HIS A 73 -19.507 20.166 -18.671 1.00 3.13 C ATOM 1110 CE1 HIS A 73 -19.226 22.274 -19.202 1.00 51.53 C ATOM 1111 NE2 HIS A 73 -19.323 21.437 -18.185 1.00 45.32 N ATOM 0 H HIS A 73 -17.361 18.298 -20.387 1.00 5.45 H new ATOM 0 HA HIS A 73 -20.134 17.500 -19.821 1.00 42.11 H new ATOM 0 HB2 HIS A 73 -19.028 19.415 -21.908 1.00 1.34 H new ATOM 0 HB3 HIS A 73 -20.708 19.222 -21.446 1.00 1.34 H new ATOM 0 HD2 HIS A 73 -19.620 19.266 -18.084 1.00 3.13 H new ATOM 0 HE1 HIS A 73 -19.076 23.341 -19.130 1.00 51.53 H new ATOM 0 HE2 HIS A 73 -19.270 21.693 -17.199 1.00 45.32 H new ATOM 1119 N LEU A 74 -20.384 15.843 -21.627 1.00 5.22 N ATOM 1120 CA LEU A 74 -20.553 14.833 -22.665 1.00 70.32 C ATOM 1121 C LEU A 74 -21.860 15.044 -23.422 1.00 74.31 C ATOM 1122 O LEU A 74 -22.944 14.967 -22.844 1.00 13.45 O ATOM 1123 CB LEU A 74 -20.527 13.432 -22.051 1.00 3.14 C ATOM 1124 CG LEU A 74 -21.197 12.328 -22.868 1.00 73.42 C ATOM 1125 CD1 LEU A 74 -20.623 12.282 -24.276 1.00 31.14 C ATOM 1126 CD2 LEU A 74 -21.034 10.980 -22.180 1.00 11.55 C ATOM 0 H LEU A 74 -21.032 15.756 -20.844 1.00 5.22 H new ATOM 0 HA LEU A 74 -19.727 14.930 -23.369 1.00 70.32 H new ATOM 0 HB2 LEU A 74 -19.488 13.151 -21.882 1.00 3.14 H new ATOM 0 HB3 LEU A 74 -21.009 13.476 -21.074 1.00 3.14 H new ATOM 0 HG LEU A 74 -22.262 12.551 -22.938 1.00 73.42 H new ATOM 0 HD11 LEU A 74 -21.112 11.490 -24.843 1.00 31.14 H new ATOM 0 HD12 LEU A 74 -20.793 13.239 -24.769 1.00 31.14 H new ATOM 0 HD13 LEU A 74 -19.552 12.084 -24.226 1.00 31.14 H new ATOM 0 HD21 LEU A 74 -21.517 10.206 -22.776 1.00 11.55 H new ATOM 0 HD22 LEU A 74 -19.974 10.750 -22.078 1.00 11.55 H new ATOM 0 HD23 LEU A 74 -21.494 11.017 -21.193 1.00 11.55 H new ATOM 1138 N VAL A 75 -21.751 15.307 -24.720 1.00 44.54 N ATOM 1139 CA VAL A 75 -22.924 15.526 -25.558 1.00 1.01 C ATOM 1140 C VAL A 75 -23.042 14.449 -26.630 1.00 61.13 C ATOM 1141 O VAL A 75 -22.041 14.016 -27.204 1.00 35.45 O ATOM 1142 CB VAL A 75 -22.879 16.908 -26.237 1.00 33.03 C ATOM 1143 CG1 VAL A 75 -23.246 18.002 -25.246 1.00 32.14 C ATOM 1144 CG2 VAL A 75 -21.505 17.161 -26.839 1.00 15.44 C ATOM 0 H VAL A 75 -20.861 15.374 -25.215 1.00 44.54 H new ATOM 0 HA VAL A 75 -23.794 15.480 -24.903 1.00 1.01 H new ATOM 0 HB VAL A 75 -23.612 16.921 -27.044 1.00 33.03 H new ATOM 0 HG11 VAL A 75 -23.209 18.971 -25.744 1.00 32.14 H new ATOM 0 HG12 VAL A 75 -24.253 17.827 -24.867 1.00 32.14 H new ATOM 0 HG13 VAL A 75 -22.540 17.993 -24.416 1.00 32.14 H new ATOM 0 HG21 VAL A 75 -21.491 18.142 -27.315 1.00 15.44 H new ATOM 0 HG22 VAL A 75 -20.751 17.129 -26.052 1.00 15.44 H new ATOM 0 HG23 VAL A 75 -21.287 16.394 -27.582 1.00 15.44 H new ATOM 1154 N LEU A 76 -24.271 14.020 -26.898 1.00 4.44 N ATOM 1155 CA LEU A 76 -24.521 12.993 -27.903 1.00 1.13 C ATOM 1156 C LEU A 76 -25.441 13.518 -29.000 1.00 61.23 C ATOM 1157 O LEU A 76 -26.419 14.212 -28.724 1.00 75.04 O ATOM 1158 CB LEU A 76 -25.139 11.755 -27.252 1.00 35.33 C ATOM 1159 CG LEU A 76 -25.096 11.707 -25.724 1.00 11.11 C ATOM 1160 CD1 LEU A 76 -25.934 10.550 -25.202 1.00 3.00 C ATOM 1161 CD2 LEU A 76 -23.660 11.592 -25.234 1.00 61.45 C ATOM 0 H LEU A 76 -25.110 14.368 -26.433 1.00 4.44 H new ATOM 0 HA LEU A 76 -23.567 12.720 -28.354 1.00 1.13 H new ATOM 0 HB2 LEU A 76 -26.180 11.684 -27.568 1.00 35.33 H new ATOM 0 HB3 LEU A 76 -24.628 10.873 -27.638 1.00 35.33 H new ATOM 0 HG LEU A 76 -25.517 12.636 -25.339 1.00 11.11 H new ATOM 0 HD11 LEU A 76 -25.891 10.532 -24.113 1.00 3.00 H new ATOM 0 HD12 LEU A 76 -26.968 10.676 -25.522 1.00 3.00 H new ATOM 0 HD13 LEU A 76 -25.544 9.611 -25.596 1.00 3.00 H new ATOM 0 HD21 LEU A 76 -23.649 11.559 -24.145 1.00 61.45 H new ATOM 0 HD22 LEU A 76 -23.213 10.680 -25.629 1.00 61.45 H new ATOM 0 HD23 LEU A 76 -23.088 12.454 -25.577 1.00 61.45 H new ATOM 1173 N ARG A 77 -25.121 13.180 -30.245 1.00 71.31 N ATOM 1174 CA ARG A 77 -25.919 13.616 -31.384 1.00 74.14 C ATOM 1175 C ARG A 77 -26.547 12.422 -32.098 1.00 21.23 C ATOM 1176 O ARG A 77 -26.049 11.970 -33.130 1.00 33.22 O ATOM 1177 CB ARG A 77 -25.056 14.413 -32.364 1.00 71.31 C ATOM 1178 CG ARG A 77 -24.567 15.739 -31.805 1.00 61.04 C ATOM 1179 CD ARG A 77 -23.053 15.761 -31.669 1.00 4.33 C ATOM 1180 NE ARG A 77 -22.577 16.995 -31.049 1.00 51.42 N ATOM 1181 CZ ARG A 77 -22.550 18.168 -31.673 1.00 34.10 C ATOM 1182 NH1 ARG A 77 -22.970 18.265 -32.927 1.00 11.21 N ATOM 1183 NH2 ARG A 77 -22.104 19.246 -31.042 1.00 44.41 N ATOM 0 H ARG A 77 -24.315 12.606 -30.490 1.00 71.31 H new ATOM 0 HA ARG A 77 -26.719 14.256 -31.011 1.00 74.14 H new ATOM 0 HB2 ARG A 77 -24.195 13.809 -32.651 1.00 71.31 H new ATOM 0 HB3 ARG A 77 -25.630 14.600 -33.271 1.00 71.31 H new ATOM 0 HG2 ARG A 77 -24.887 16.551 -32.458 1.00 61.04 H new ATOM 0 HG3 ARG A 77 -25.024 15.915 -30.831 1.00 61.04 H new ATOM 0 HD2 ARG A 77 -22.730 14.908 -31.073 1.00 4.33 H new ATOM 0 HD3 ARG A 77 -22.599 15.652 -32.654 1.00 4.33 H new ATOM 0 HE ARG A 77 -22.247 16.954 -30.085 1.00 51.42 H new ATOM 0 HH11 ARG A 77 -23.315 17.438 -33.415 1.00 11.21 H new ATOM 0 HH12 ARG A 77 -22.948 19.166 -33.404 1.00 11.21 H new ATOM 0 HH21 ARG A 77 -21.781 19.175 -30.077 1.00 44.41 H new ATOM 0 HH22 ARG A 77 -22.084 20.146 -31.522 1.00 44.41 H new ATOM 1197 N LEU A 78 -27.641 11.915 -31.541 1.00 13.02 N ATOM 1198 CA LEU A 78 -28.337 10.773 -32.123 1.00 33.30 C ATOM 1199 C LEU A 78 -29.160 11.197 -33.335 1.00 75.41 C ATOM 1200 O LEU A 78 -29.106 10.561 -34.388 1.00 21.10 O ATOM 1201 CB LEU A 78 -29.244 10.117 -31.080 1.00 53.40 C ATOM 1202 CG LEU A 78 -28.537 9.447 -29.902 1.00 31.41 C ATOM 1203 CD1 LEU A 78 -27.402 8.562 -30.394 1.00 74.32 C ATOM 1204 CD2 LEU A 78 -28.016 10.492 -28.927 1.00 41.41 C ATOM 0 H LEU A 78 -28.065 12.277 -30.687 1.00 13.02 H new ATOM 0 HA LEU A 78 -27.589 10.051 -32.450 1.00 33.30 H new ATOM 0 HB2 LEU A 78 -29.921 10.876 -30.688 1.00 53.40 H new ATOM 0 HB3 LEU A 78 -29.859 9.370 -31.581 1.00 53.40 H new ATOM 0 HG LEU A 78 -29.259 8.820 -29.379 1.00 31.41 H new ATOM 0 HD11 LEU A 78 -26.910 8.093 -29.542 1.00 74.32 H new ATOM 0 HD12 LEU A 78 -27.801 7.790 -31.052 1.00 74.32 H new ATOM 0 HD13 LEU A 78 -26.680 9.167 -30.942 1.00 74.32 H new ATOM 0 HD21 LEU A 78 -27.516 9.996 -28.095 1.00 41.41 H new ATOM 0 HD22 LEU A 78 -27.309 11.146 -29.438 1.00 41.41 H new ATOM 0 HD23 LEU A 78 -28.849 11.084 -28.548 1.00 41.41 H new ATOM 1216 N ARG A 79 -29.921 12.275 -33.180 1.00 2.44 N ATOM 1217 CA ARG A 79 -30.755 12.785 -34.262 1.00 25.04 C ATOM 1218 C ARG A 79 -29.896 13.356 -35.386 1.00 52.25 C ATOM 1219 O ARG A 79 -29.597 14.549 -35.408 1.00 55.45 O ATOM 1220 CB ARG A 79 -31.708 13.860 -33.737 1.00 3.24 C ATOM 1221 CG ARG A 79 -32.962 13.298 -33.088 1.00 1.13 C ATOM 1222 CD ARG A 79 -33.050 13.683 -31.619 1.00 64.21 C ATOM 1223 NE ARG A 79 -33.765 14.941 -31.425 1.00 1.22 N ATOM 1224 CZ ARG A 79 -34.090 15.425 -30.231 1.00 73.21 C ATOM 1225 NH1 ARG A 79 -33.766 14.759 -29.131 1.00 44.15 N ATOM 1226 NH2 ARG A 79 -34.741 16.577 -30.136 1.00 14.12 N ATOM 0 H ARG A 79 -29.977 12.813 -32.315 1.00 2.44 H new ATOM 0 HA ARG A 79 -31.339 11.955 -34.660 1.00 25.04 H new ATOM 0 HB2 ARG A 79 -31.180 14.479 -33.012 1.00 3.24 H new ATOM 0 HB3 ARG A 79 -31.997 14.512 -34.562 1.00 3.24 H new ATOM 0 HG2 ARG A 79 -33.842 13.666 -33.615 1.00 1.13 H new ATOM 0 HG3 ARG A 79 -32.966 12.212 -33.181 1.00 1.13 H new ATOM 0 HD2 ARG A 79 -33.554 12.890 -31.066 1.00 64.21 H new ATOM 0 HD3 ARG A 79 -32.045 13.770 -31.206 1.00 64.21 H new ATOM 0 HE ARG A 79 -34.029 15.478 -32.251 1.00 1.22 H new ATOM 0 HH11 ARG A 79 -33.266 13.873 -29.200 1.00 44.15 H new ATOM 0 HH12 ARG A 79 -34.017 15.133 -28.216 1.00 44.15 H new ATOM 0 HH21 ARG A 79 -34.992 17.092 -30.980 1.00 14.12 H new ATOM 0 HH22 ARG A 79 -34.990 16.948 -29.219 1.00 14.12 H new ATOM 1240 N GLY A 80 -29.502 12.495 -36.319 1.00 72.45 N ATOM 1241 CA GLY A 80 -28.682 12.932 -37.434 1.00 23.32 C ATOM 1242 C GLY A 80 -27.450 12.068 -37.621 1.00 31.02 C ATOM 1243 O GLY A 80 -26.324 12.562 -37.575 1.00 72.30 O ATOM 0 H GLY A 80 -29.736 11.502 -36.323 1.00 72.45 H new ATOM 0 HA2 GLY A 80 -29.277 12.914 -38.347 1.00 23.32 H new ATOM 0 HA3 GLY A 80 -28.376 13.966 -37.273 1.00 23.32 H new ATOM 1247 N GLY A 81 -27.664 10.772 -37.831 1.00 2.53 N ATOM 1248 CA GLY A 81 -26.553 9.859 -38.020 1.00 65.51 C ATOM 1249 C GLY A 81 -26.951 8.411 -37.813 1.00 62.30 C ATOM 1250 O GLY A 81 -28.106 8.115 -37.506 1.00 24.32 O ATOM 0 H GLY A 81 -28.587 10.339 -37.873 1.00 2.53 H new ATOM 0 HA2 GLY A 81 -26.153 9.982 -39.026 1.00 65.51 H new ATOM 0 HA3 GLY A 81 -25.753 10.116 -37.325 1.00 65.51 H new ATOM 1254 N VAL A 82 -25.993 7.505 -37.983 1.00 20.20 N ATOM 1255 CA VAL A 82 -26.250 6.080 -37.813 1.00 63.34 C ATOM 1256 C VAL A 82 -25.050 5.376 -37.189 1.00 33.33 C ATOM 1257 O VAL A 82 -24.155 6.020 -36.642 1.00 61.33 O ATOM 1258 CB VAL A 82 -26.584 5.406 -39.157 1.00 61.34 C ATOM 1259 CG1 VAL A 82 -25.440 5.585 -40.144 1.00 21.23 C ATOM 1260 CG2 VAL A 82 -26.895 3.931 -38.951 1.00 24.03 C ATOM 0 H VAL A 82 -25.032 7.733 -38.238 1.00 20.20 H new ATOM 0 HA VAL A 82 -27.108 5.990 -37.146 1.00 63.34 H new ATOM 0 HB VAL A 82 -27.470 5.886 -39.573 1.00 61.34 H new ATOM 0 HG11 VAL A 82 -25.695 5.102 -41.087 1.00 21.23 H new ATOM 0 HG12 VAL A 82 -25.270 6.648 -40.315 1.00 21.23 H new ATOM 0 HG13 VAL A 82 -24.535 5.133 -39.738 1.00 21.23 H new ATOM 0 HG21 VAL A 82 -27.129 3.471 -39.911 1.00 24.03 H new ATOM 0 HG22 VAL A 82 -26.030 3.435 -38.512 1.00 24.03 H new ATOM 0 HG23 VAL A 82 -27.750 3.829 -38.282 1.00 24.03 H new TER 1270 VAL A 82