USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 989 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 13 THR OG1 : rot 170:sc= -0.0865 USER MOD Set 1.2: A 46 ASN : amide:sc= -1.92 K(o=-2,f=-2.7!) USER MOD Single : A 1 GLN : amide:sc=-0.000456 X(o=-0.00046,f=0) USER MOD Single : A 1 GLN N :NH3+ -162:sc=-5.36e-05 (180deg=-0.391) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.564 K(o=-0.56,f=1.2) USER MOD Single : A 8 GLN : amide:sc= -1 K(o=-1,f=-1.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.391 USER MOD Single : A 16 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 17 ASN : amide:sc= -3.44 K(o=-3.4,f=-9.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 146:sc= -0.468 (180deg=-2.93!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 92:sc= -0.0432 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.00058) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.169 K(o=-0.17,f=-3.3!) USER MOD Single : A 40 SER OG : rot 43:sc= 0.963 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= -0.012 (180deg=-0.0383) USER MOD Single : A 50 ASN : amide:sc= -2.53 X(o=-2.5,f=-2.4) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -134:sc= 0 (180deg=-1.04) USER MOD Single : A 59 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.45) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.47) USER MOD Single : A 81 GLN : amide:sc= -2.15 X(o=-2.1,f=-1.9) USER MOD Single : A 83 SER OG : rot 143:sc= -0.503 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 80:sc= 0.675 USER MOD Single : A 106 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -111:sc= -0.908 (180deg=-4.8!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.507 4.086 -0.035 1.00 32.23 N ATOM 2 CA GLN A 1 1.901 2.858 -0.537 1.00 2.14 C ATOM 3 C GLN A 1 0.853 3.164 -1.602 1.00 24.23 C ATOM 4 O GLN A 1 -0.276 3.539 -1.286 1.00 61.51 O ATOM 5 CB GLN A 1 1.265 2.072 0.611 1.00 13.21 C ATOM 6 CG GLN A 1 1.932 0.732 0.874 1.00 33.21 C ATOM 7 CD GLN A 1 1.320 -0.004 2.050 1.00 0.21 C ATOM 8 OE1 GLN A 1 1.321 0.493 3.177 1.00 50.44 O ATOM 9 NE2 GLN A 1 0.793 -1.195 1.794 1.00 32.30 N ATOM 0 H1 GLN A 1 3.402 3.861 0.444 1.00 32.23 H new ATOM 0 H2 GLN A 1 2.692 4.732 -0.829 1.00 32.23 H new ATOM 0 H3 GLN A 1 1.859 4.543 0.638 1.00 32.23 H new ATOM 0 HA GLN A 1 2.687 2.254 -0.990 1.00 2.14 H new ATOM 0 HB2 GLN A 1 1.307 2.674 1.519 1.00 13.21 H new ATOM 0 HB3 GLN A 1 0.211 1.906 0.387 1.00 13.21 H new ATOM 0 HG2 GLN A 1 1.855 0.111 -0.018 1.00 33.21 H new ATOM 0 HG3 GLN A 1 2.994 0.890 1.062 1.00 33.21 H new ATOM 0 HE21 GLN A 1 0.814 -1.569 0.845 1.00 32.30 H new ATOM 0 HE22 GLN A 1 0.367 -1.737 2.546 1.00 32.30 H new ATOM 18 N SER A 2 1.235 3.002 -2.864 1.00 65.25 N ATOM 19 CA SER A 2 0.330 3.265 -3.977 1.00 20.41 C ATOM 20 C SER A 2 -0.106 4.727 -3.989 1.00 22.32 C ATOM 21 O SER A 2 -1.235 5.053 -3.620 1.00 42.31 O ATOM 22 CB SER A 2 -0.897 2.356 -3.889 1.00 33.52 C ATOM 23 OG SER A 2 -1.485 2.167 -5.164 1.00 62.25 O ATOM 0 H SER A 2 2.165 2.690 -3.142 1.00 65.25 H new ATOM 0 HA SER A 2 0.863 3.055 -4.904 1.00 20.41 H new ATOM 0 HB2 SER A 2 -0.609 1.391 -3.471 1.00 33.52 H new ATOM 0 HB3 SER A 2 -1.629 2.792 -3.209 1.00 33.52 H new ATOM 0 HG SER A 2 -2.266 1.581 -5.080 1.00 62.25 H new ATOM 29 N LEU A 3 0.797 5.603 -4.415 1.00 21.12 N ATOM 30 CA LEU A 3 0.508 7.031 -4.476 1.00 13.54 C ATOM 31 C LEU A 3 -0.665 7.310 -5.410 1.00 52.20 C ATOM 32 O LEU A 3 -1.257 6.389 -5.971 1.00 44.14 O ATOM 33 CB LEU A 3 1.743 7.803 -4.945 1.00 33.51 C ATOM 34 CG LEU A 3 2.276 7.437 -6.331 1.00 14.22 C ATOM 35 CD1 LEU A 3 2.553 8.692 -7.144 1.00 5.13 C ATOM 36 CD2 LEU A 3 3.532 6.587 -6.212 1.00 3.31 C ATOM 0 H LEU A 3 1.736 5.349 -4.723 1.00 21.12 H new ATOM 0 HA LEU A 3 0.238 7.364 -3.474 1.00 13.54 H new ATOM 0 HB2 LEU A 3 1.506 8.867 -4.938 1.00 33.51 H new ATOM 0 HB3 LEU A 3 2.541 7.649 -4.218 1.00 33.51 H new ATOM 0 HG LEU A 3 1.515 6.854 -6.850 1.00 14.22 H new ATOM 0 HD11 LEU A 3 2.932 8.412 -8.127 1.00 5.13 H new ATOM 0 HD12 LEU A 3 1.631 9.262 -7.259 1.00 5.13 H new ATOM 0 HD13 LEU A 3 3.295 9.302 -6.630 1.00 5.13 H new ATOM 0 HD21 LEU A 3 3.897 6.336 -7.208 1.00 3.31 H new ATOM 0 HD22 LEU A 3 4.299 7.144 -5.674 1.00 3.31 H new ATOM 0 HD23 LEU A 3 3.301 5.671 -5.669 1.00 3.31 H new ATOM 48 N ASN A 4 -0.995 8.587 -5.573 1.00 44.42 N ATOM 49 CA ASN A 4 -2.096 8.988 -6.441 1.00 70.23 C ATOM 50 C ASN A 4 -1.770 8.698 -7.903 1.00 63.41 C ATOM 51 O ASN A 4 -0.610 8.553 -8.289 1.00 45.32 O ATOM 52 CB ASN A 4 -2.400 10.476 -6.261 1.00 1.52 C ATOM 53 CG ASN A 4 -3.621 10.716 -5.394 1.00 1.30 C ATOM 54 OD1 ASN A 4 -4.485 11.527 -5.730 1.00 21.52 O ATOM 55 ND2 ASN A 4 -3.697 10.011 -4.272 1.00 33.25 N ATOM 0 H ASN A 4 -0.515 9.362 -5.115 1.00 44.42 H new ATOM 0 HA ASN A 4 -2.975 8.408 -6.161 1.00 70.23 H new ATOM 0 HB2 ASN A 4 -1.537 10.969 -5.813 1.00 1.52 H new ATOM 0 HB3 ASN A 4 -2.556 10.933 -7.238 1.00 1.52 H new ATOM 0 HD21 ASN A 4 -4.495 10.130 -3.648 1.00 33.25 H new ATOM 0 HD22 ASN A 4 -2.957 9.350 -4.034 1.00 33.25 H new ATOM 62 N PRO A 5 -2.817 8.610 -8.737 1.00 44.30 N ATOM 63 CA PRO A 5 -2.667 8.338 -10.170 1.00 20.14 C ATOM 64 C PRO A 5 -2.042 9.509 -10.920 1.00 62.21 C ATOM 65 O PRO A 5 -1.374 9.321 -11.936 1.00 44.13 O ATOM 66 CB PRO A 5 -4.106 8.109 -10.639 1.00 63.32 C ATOM 67 CG PRO A 5 -4.947 8.857 -9.663 1.00 65.03 C ATOM 68 CD PRO A 5 -4.227 8.771 -8.346 1.00 10.33 C ATOM 0 HA PRO A 5 -2.003 7.494 -10.358 1.00 20.14 H new ATOM 0 HB2 PRO A 5 -4.255 8.478 -11.654 1.00 63.32 H new ATOM 0 HB3 PRO A 5 -4.356 7.048 -10.645 1.00 63.32 H new ATOM 0 HG2 PRO A 5 -5.074 9.895 -9.972 1.00 65.03 H new ATOM 0 HG3 PRO A 5 -5.944 8.422 -9.592 1.00 65.03 H new ATOM 0 HD2 PRO A 5 -4.378 9.669 -7.747 1.00 10.33 H new ATOM 0 HD3 PRO A 5 -4.578 7.928 -7.751 1.00 10.33 H new ATOM 76 N ALA A 6 -2.263 10.717 -10.412 1.00 61.14 N ATOM 77 CA ALA A 6 -1.719 11.918 -11.034 1.00 22.03 C ATOM 78 C ALA A 6 -2.143 12.020 -12.495 1.00 4.30 C ATOM 79 O ALA A 6 -1.465 12.653 -13.306 1.00 23.20 O ATOM 80 CB ALA A 6 -0.202 11.930 -10.920 1.00 64.12 C ATOM 0 H ALA A 6 -2.815 10.890 -9.572 1.00 61.14 H new ATOM 0 HA ALA A 6 -2.119 12.784 -10.506 1.00 22.03 H new ATOM 0 HB1 ALA A 6 0.191 12.832 -11.389 1.00 64.12 H new ATOM 0 HB2 ALA A 6 0.084 11.913 -9.868 1.00 64.12 H new ATOM 0 HB3 ALA A 6 0.207 11.053 -11.421 1.00 64.12 H new ATOM 86 N LEU A 7 -3.267 11.394 -12.825 1.00 43.22 N ATOM 87 CA LEU A 7 -3.781 11.414 -14.190 1.00 51.22 C ATOM 88 C LEU A 7 -4.982 12.347 -14.306 1.00 11.41 C ATOM 89 O LEU A 7 -5.075 13.140 -15.242 1.00 51.53 O ATOM 90 CB LEU A 7 -4.174 10.002 -14.629 1.00 43.40 C ATOM 91 CG LEU A 7 -3.104 9.213 -15.385 1.00 35.20 C ATOM 92 CD1 LEU A 7 -3.533 7.764 -15.558 1.00 30.15 C ATOM 93 CD2 LEU A 7 -2.825 9.853 -16.737 1.00 71.20 C ATOM 0 H LEU A 7 -3.840 10.866 -12.166 1.00 43.22 H new ATOM 0 HA LEU A 7 -2.991 11.785 -14.844 1.00 51.22 H new ATOM 0 HB2 LEU A 7 -4.459 9.434 -13.744 1.00 43.40 H new ATOM 0 HB3 LEU A 7 -5.059 10.073 -15.261 1.00 43.40 H new ATOM 0 HG LEU A 7 -2.184 9.232 -14.800 1.00 35.20 H new ATOM 0 HD11 LEU A 7 -2.760 7.218 -16.098 1.00 30.15 H new ATOM 0 HD12 LEU A 7 -3.682 7.309 -14.579 1.00 30.15 H new ATOM 0 HD13 LEU A 7 -4.465 7.725 -16.122 1.00 30.15 H new ATOM 0 HD21 LEU A 7 -2.061 9.278 -17.261 1.00 71.20 H new ATOM 0 HD22 LEU A 7 -3.740 9.865 -17.329 1.00 71.20 H new ATOM 0 HD23 LEU A 7 -2.474 10.874 -16.591 1.00 71.20 H new ATOM 105 N GLN A 8 -5.897 12.248 -13.347 1.00 70.41 N ATOM 106 CA GLN A 8 -7.091 13.084 -13.341 1.00 52.24 C ATOM 107 C GLN A 8 -7.350 13.654 -11.950 1.00 74.35 C ATOM 108 O GLN A 8 -8.431 13.477 -11.389 1.00 52.45 O ATOM 109 CB GLN A 8 -8.305 12.280 -13.811 1.00 11.35 C ATOM 110 CG GLN A 8 -8.067 11.519 -15.104 1.00 72.35 C ATOM 111 CD GLN A 8 -8.074 10.016 -14.907 1.00 30.33 C ATOM 112 OE1 GLN A 8 -8.753 9.498 -14.020 1.00 32.33 O ATOM 113 NE2 GLN A 8 -7.316 9.306 -15.734 1.00 71.14 N ATOM 0 H GLN A 8 -5.834 11.597 -12.564 1.00 70.41 H new ATOM 0 HA GLN A 8 -6.926 13.914 -14.028 1.00 52.24 H new ATOM 0 HB2 GLN A 8 -8.587 11.574 -13.030 1.00 11.35 H new ATOM 0 HB3 GLN A 8 -9.148 12.957 -13.948 1.00 11.35 H new ATOM 0 HG2 GLN A 8 -8.836 11.790 -15.827 1.00 72.35 H new ATOM 0 HG3 GLN A 8 -7.109 11.821 -15.528 1.00 72.35 H new ATOM 0 HE21 GLN A 8 -6.769 9.776 -16.455 1.00 71.14 H new ATOM 0 HE22 GLN A 8 -7.281 8.290 -15.648 1.00 71.14 H new ATOM 122 N GLU A 9 -6.351 14.336 -11.400 1.00 52.53 N ATOM 123 CA GLU A 9 -6.472 14.930 -10.074 1.00 41.40 C ATOM 124 C GLU A 9 -6.269 16.442 -10.134 1.00 65.40 C ATOM 125 O GLU A 9 -5.337 16.979 -9.534 1.00 71.23 O ATOM 126 CB GLU A 9 -5.455 14.306 -9.117 1.00 31.54 C ATOM 127 CG GLU A 9 -4.028 14.339 -9.638 1.00 31.24 C ATOM 128 CD GLU A 9 -3.005 14.060 -8.554 1.00 3.21 C ATOM 129 OE1 GLU A 9 -3.281 13.213 -7.679 1.00 74.15 O ATOM 130 OE2 GLU A 9 -1.927 14.690 -8.581 1.00 5.00 O ATOM 0 H GLU A 9 -5.450 14.491 -11.851 1.00 52.53 H new ATOM 0 HA GLU A 9 -7.478 14.730 -9.705 1.00 41.40 H new ATOM 0 HB2 GLU A 9 -5.497 14.832 -8.163 1.00 31.54 H new ATOM 0 HB3 GLU A 9 -5.738 13.271 -8.924 1.00 31.54 H new ATOM 0 HG2 GLU A 9 -3.919 13.602 -10.434 1.00 31.24 H new ATOM 0 HG3 GLU A 9 -3.828 15.316 -10.078 1.00 31.24 H new ATOM 137 N LYS A 10 -7.147 17.122 -10.863 1.00 4.22 N ATOM 138 CA LYS A 10 -7.066 18.571 -11.002 1.00 40.44 C ATOM 139 C LYS A 10 -7.607 19.269 -9.758 1.00 62.32 C ATOM 140 O LYS A 10 -8.572 20.030 -9.832 1.00 44.23 O ATOM 141 CB LYS A 10 -7.846 19.030 -12.237 1.00 31.34 C ATOM 142 CG LYS A 10 -7.050 18.941 -13.527 1.00 61.30 C ATOM 143 CD LYS A 10 -7.094 17.540 -14.114 1.00 72.10 C ATOM 144 CE LYS A 10 -6.684 17.536 -15.579 1.00 1.14 C ATOM 145 NZ LYS A 10 -7.820 17.179 -16.472 1.00 55.32 N ATOM 0 H LYS A 10 -7.923 16.693 -11.367 1.00 4.22 H new ATOM 0 HA LYS A 10 -6.017 18.841 -11.121 1.00 40.44 H new ATOM 0 HB2 LYS A 10 -8.747 18.424 -12.333 1.00 31.34 H new ATOM 0 HB3 LYS A 10 -8.169 20.060 -12.090 1.00 31.34 H new ATOM 0 HG2 LYS A 10 -7.448 19.652 -14.251 1.00 61.30 H new ATOM 0 HG3 LYS A 10 -6.015 19.225 -13.337 1.00 61.30 H new ATOM 0 HD2 LYS A 10 -6.431 16.886 -13.548 1.00 72.10 H new ATOM 0 HD3 LYS A 10 -8.101 17.135 -14.016 1.00 72.10 H new ATOM 0 HE2 LYS A 10 -6.303 18.520 -15.852 1.00 1.14 H new ATOM 0 HE3 LYS A 10 -5.870 16.827 -15.726 1.00 1.14 H new ATOM 0 HZ1 LYS A 10 -7.500 17.187 -17.461 1.00 55.32 H new ATOM 0 HZ2 LYS A 10 -8.168 16.230 -16.229 1.00 55.32 H new ATOM 0 HZ3 LYS A 10 -8.587 17.870 -16.351 1.00 55.32 H new ATOM 159 N ILE A 11 -6.979 19.005 -8.617 1.00 62.34 N ATOM 160 CA ILE A 11 -7.396 19.609 -7.359 1.00 11.35 C ATOM 161 C ILE A 11 -7.349 21.131 -7.438 1.00 12.54 C ATOM 162 O ILE A 11 -6.343 21.711 -7.846 1.00 53.43 O ATOM 163 CB ILE A 11 -6.512 19.140 -6.188 1.00 70.21 C ATOM 164 CG1 ILE A 11 -7.025 19.719 -4.868 1.00 53.33 C ATOM 165 CG2 ILE A 11 -5.064 19.544 -6.423 1.00 31.32 C ATOM 166 CD1 ILE A 11 -7.626 18.682 -3.946 1.00 32.11 C ATOM 0 H ILE A 11 -6.179 18.377 -8.539 1.00 62.34 H new ATOM 0 HA ILE A 11 -8.422 19.288 -7.180 1.00 11.35 H new ATOM 0 HB ILE A 11 -6.561 18.053 -6.128 1.00 70.21 H new ATOM 0 HG12 ILE A 11 -6.202 20.216 -4.355 1.00 53.33 H new ATOM 0 HG13 ILE A 11 -7.774 20.481 -5.082 1.00 53.33 H new ATOM 0 HG21 ILE A 11 -4.452 19.206 -5.587 1.00 31.32 H new ATOM 0 HG22 ILE A 11 -4.704 19.087 -7.345 1.00 31.32 H new ATOM 0 HG23 ILE A 11 -4.998 20.629 -6.506 1.00 31.32 H new ATOM 0 HD11 ILE A 11 -7.968 19.164 -3.030 1.00 32.11 H new ATOM 0 HD12 ILE A 11 -8.470 18.201 -4.440 1.00 32.11 H new ATOM 0 HD13 ILE A 11 -6.873 17.932 -3.702 1.00 32.11 H new ATOM 178 N SER A 12 -8.444 21.773 -7.042 1.00 1.11 N ATOM 179 CA SER A 12 -8.529 23.229 -7.070 1.00 21.44 C ATOM 180 C SER A 12 -8.371 23.755 -8.493 1.00 33.01 C ATOM 181 O SER A 12 -7.260 23.841 -9.017 1.00 11.43 O ATOM 182 CB SER A 12 -7.457 23.840 -6.166 1.00 1.52 C ATOM 183 OG SER A 12 -7.129 22.966 -5.100 1.00 1.32 O ATOM 0 H SER A 12 -9.284 21.308 -6.698 1.00 1.11 H new ATOM 0 HA SER A 12 -9.513 23.519 -6.702 1.00 21.44 H new ATOM 0 HB2 SER A 12 -6.563 24.056 -6.751 1.00 1.52 H new ATOM 0 HB3 SER A 12 -7.813 24.789 -5.766 1.00 1.52 H new ATOM 0 HG SER A 12 -6.441 23.379 -4.538 1.00 1.32 H new ATOM 189 N THR A 13 -9.493 24.106 -9.115 1.00 4.21 N ATOM 190 CA THR A 13 -9.481 24.623 -10.478 1.00 10.05 C ATOM 191 C THR A 13 -10.405 25.827 -10.617 1.00 14.23 C ATOM 192 O THR A 13 -11.241 25.878 -11.518 1.00 72.23 O ATOM 193 CB THR A 13 -9.906 23.544 -11.491 1.00 71.02 C ATOM 194 OG1 THR A 13 -9.335 22.281 -11.131 1.00 13.13 O ATOM 195 CG2 THR A 13 -9.468 23.921 -12.898 1.00 72.04 C ATOM 0 H THR A 13 -10.421 24.042 -8.696 1.00 4.21 H new ATOM 0 HA THR A 13 -8.457 24.928 -10.692 1.00 10.05 H new ATOM 0 HB THR A 13 -10.993 23.469 -11.473 1.00 71.02 H new ATOM 0 HG1 THR A 13 -9.734 21.573 -11.679 1.00 13.13 H new ATOM 0 HG21 THR A 13 -9.779 23.144 -13.596 1.00 72.04 H new ATOM 0 HG22 THR A 13 -9.928 24.868 -13.181 1.00 72.04 H new ATOM 0 HG23 THR A 13 -8.383 24.021 -12.927 1.00 72.04 H new ATOM 203 N GLU A 14 -10.249 26.795 -9.719 1.00 24.23 N ATOM 204 CA GLU A 14 -11.071 27.999 -9.743 1.00 24.11 C ATOM 205 C GLU A 14 -10.740 28.907 -8.562 1.00 43.43 C ATOM 206 O GLU A 14 -10.883 30.128 -8.644 1.00 53.11 O ATOM 207 CB GLU A 14 -12.555 27.630 -9.716 1.00 54.23 C ATOM 208 CG GLU A 14 -13.354 28.238 -10.857 1.00 11.52 C ATOM 209 CD GLU A 14 -13.476 29.746 -10.745 1.00 31.32 C ATOM 210 OE1 GLU A 14 -13.811 30.233 -9.645 1.00 11.03 O ATOM 211 OE2 GLU A 14 -13.237 30.438 -11.756 1.00 72.33 O ATOM 0 H GLU A 14 -9.561 26.769 -8.966 1.00 24.23 H new ATOM 0 HA GLU A 14 -10.855 28.538 -10.665 1.00 24.11 H new ATOM 0 HB2 GLU A 14 -12.652 26.545 -9.754 1.00 54.23 H new ATOM 0 HB3 GLU A 14 -12.985 27.956 -8.769 1.00 54.23 H new ATOM 0 HG2 GLU A 14 -12.878 27.985 -11.804 1.00 11.52 H new ATOM 0 HG3 GLU A 14 -14.351 27.797 -10.873 1.00 11.52 H new ATOM 218 N LEU A 15 -10.297 28.304 -7.465 1.00 64.31 N ATOM 219 CA LEU A 15 -9.945 29.057 -6.266 1.00 73.12 C ATOM 220 C LEU A 15 -11.182 29.344 -5.421 1.00 54.25 C ATOM 221 O LEU A 15 -11.086 29.549 -4.212 1.00 54.03 O ATOM 222 CB LEU A 15 -9.258 30.369 -6.648 1.00 12.33 C ATOM 223 CG LEU A 15 -8.135 30.834 -5.719 1.00 75.23 C ATOM 224 CD1 LEU A 15 -8.681 31.137 -4.332 1.00 41.45 C ATOM 225 CD2 LEU A 15 -7.037 29.784 -5.644 1.00 62.42 C ATOM 0 H LEU A 15 -10.173 27.295 -7.381 1.00 64.31 H new ATOM 0 HA LEU A 15 -9.257 28.452 -5.675 1.00 73.12 H new ATOM 0 HB2 LEU A 15 -8.850 30.263 -7.653 1.00 12.33 H new ATOM 0 HB3 LEU A 15 -10.014 31.153 -6.692 1.00 12.33 H new ATOM 0 HG LEU A 15 -7.707 31.750 -6.127 1.00 75.23 H new ATOM 0 HD11 LEU A 15 -7.868 31.466 -3.685 1.00 41.45 H new ATOM 0 HD12 LEU A 15 -9.432 31.924 -4.401 1.00 41.45 H new ATOM 0 HD13 LEU A 15 -9.135 30.238 -3.915 1.00 41.45 H new ATOM 0 HD21 LEU A 15 -6.246 30.131 -4.979 1.00 62.42 H new ATOM 0 HD22 LEU A 15 -7.451 28.852 -5.260 1.00 62.42 H new ATOM 0 HD23 LEU A 15 -6.626 29.616 -6.639 1.00 62.42 H new ATOM 237 N ASN A 16 -12.344 29.355 -6.067 1.00 50.43 N ATOM 238 CA ASN A 16 -13.601 29.616 -5.375 1.00 21.31 C ATOM 239 C ASN A 16 -14.305 28.310 -5.016 1.00 3.51 C ATOM 240 O ASN A 16 -14.781 28.138 -3.895 1.00 1.52 O ATOM 241 CB ASN A 16 -14.517 30.480 -6.244 1.00 62.54 C ATOM 242 CG ASN A 16 -14.886 31.788 -5.573 1.00 12.03 C ATOM 243 OD1 ASN A 16 -16.065 32.094 -5.390 1.00 44.04 O ATOM 244 ND2 ASN A 16 -13.877 32.568 -5.201 1.00 73.43 N ATOM 0 H ASN A 16 -12.441 29.186 -7.068 1.00 50.43 H new ATOM 0 HA ASN A 16 -13.375 30.152 -4.453 1.00 21.31 H new ATOM 0 HB2 ASN A 16 -14.022 30.688 -7.193 1.00 62.54 H new ATOM 0 HB3 ASN A 16 -15.426 29.924 -6.474 1.00 62.54 H new ATOM 0 HD21 ASN A 16 -14.064 33.460 -4.744 1.00 73.43 H new ATOM 0 HD22 ASN A 16 -12.915 32.274 -5.373 1.00 73.43 H new ATOM 251 N ASN A 17 -14.365 27.394 -5.976 1.00 73.32 N ATOM 252 CA ASN A 17 -15.011 26.104 -5.762 1.00 24.54 C ATOM 253 C ASN A 17 -14.107 25.170 -4.962 1.00 33.14 C ATOM 254 O ASN A 17 -14.572 24.196 -4.368 1.00 3.31 O ATOM 255 CB ASN A 17 -15.369 25.460 -7.103 1.00 22.34 C ATOM 256 CG ASN A 17 -14.141 25.104 -7.919 1.00 75.41 C ATOM 257 OD1 ASN A 17 -13.052 25.626 -7.683 1.00 11.20 O ATOM 258 ND2 ASN A 17 -14.313 24.210 -8.886 1.00 73.03 N ATOM 0 H ASN A 17 -13.974 27.520 -6.910 1.00 73.32 H new ATOM 0 HA ASN A 17 -15.925 26.273 -5.193 1.00 24.54 H new ATOM 0 HB2 ASN A 17 -15.957 24.560 -6.925 1.00 22.34 H new ATOM 0 HB3 ASN A 17 -15.997 26.143 -7.675 1.00 22.34 H new ATOM 0 HD21 ASN A 17 -13.524 23.931 -9.468 1.00 73.03 H new ATOM 0 HD22 ASN A 17 -15.234 23.803 -9.046 1.00 73.03 H new ATOM 265 N LYS A 18 -12.814 25.474 -4.950 1.00 21.42 N ATOM 266 CA LYS A 18 -11.844 24.664 -4.222 1.00 0.22 C ATOM 267 C LYS A 18 -12.282 24.461 -2.775 1.00 22.12 C ATOM 268 O LYS A 18 -12.079 23.392 -2.201 1.00 22.54 O ATOM 269 CB LYS A 18 -10.465 25.326 -4.260 1.00 41.42 C ATOM 270 CG LYS A 18 -9.454 24.681 -3.329 1.00 22.44 C ATOM 271 CD LYS A 18 -9.066 25.613 -2.194 1.00 12.45 C ATOM 272 CE LYS A 18 -8.176 24.915 -1.177 1.00 72.41 C ATOM 273 NZ LYS A 18 -7.410 25.887 -0.350 1.00 21.04 N ATOM 0 H LYS A 18 -12.413 26.276 -5.436 1.00 21.42 H new ATOM 0 HA LYS A 18 -11.786 23.689 -4.706 1.00 0.22 H new ATOM 0 HB2 LYS A 18 -10.082 25.289 -5.280 1.00 41.42 H new ATOM 0 HB3 LYS A 18 -10.569 26.378 -3.996 1.00 41.42 H new ATOM 0 HG2 LYS A 18 -9.871 23.761 -2.919 1.00 22.44 H new ATOM 0 HG3 LYS A 18 -8.564 24.404 -3.893 1.00 22.44 H new ATOM 0 HD2 LYS A 18 -8.546 26.482 -2.597 1.00 12.45 H new ATOM 0 HD3 LYS A 18 -9.966 25.980 -1.700 1.00 12.45 H new ATOM 0 HE2 LYS A 18 -8.788 24.289 -0.528 1.00 72.41 H new ATOM 0 HE3 LYS A 18 -7.482 24.253 -1.695 1.00 72.41 H new ATOM 0 HZ1 LYS A 18 -6.816 25.372 0.330 1.00 21.04 H new ATOM 0 HZ2 LYS A 18 -6.806 26.467 -0.967 1.00 21.04 H new ATOM 0 HZ3 LYS A 18 -8.072 26.502 0.165 1.00 21.04 H new ATOM 287 N GLN A 19 -12.884 25.493 -2.193 1.00 0.01 N ATOM 288 CA GLN A 19 -13.351 25.426 -0.813 1.00 62.12 C ATOM 289 C GLN A 19 -14.453 24.383 -0.662 1.00 14.12 C ATOM 290 O GLN A 19 -14.439 23.580 0.272 1.00 44.52 O ATOM 291 CB GLN A 19 -13.861 26.794 -0.358 1.00 3.31 C ATOM 292 CG GLN A 19 -13.641 27.064 1.122 1.00 45.12 C ATOM 293 CD GLN A 19 -13.789 28.531 1.476 1.00 21.41 C ATOM 294 OE1 GLN A 19 -14.302 29.323 0.686 1.00 43.35 O ATOM 295 NE2 GLN A 19 -13.340 28.900 2.670 1.00 61.11 N ATOM 0 H GLN A 19 -13.060 26.385 -2.655 1.00 0.01 H new ATOM 0 HA GLN A 19 -12.510 25.133 -0.185 1.00 62.12 H new ATOM 0 HB2 GLN A 19 -13.362 27.570 -0.938 1.00 3.31 H new ATOM 0 HB3 GLN A 19 -14.926 26.867 -0.578 1.00 3.31 H new ATOM 0 HG2 GLN A 19 -14.354 26.480 1.704 1.00 45.12 H new ATOM 0 HG3 GLN A 19 -12.645 26.725 1.405 1.00 45.12 H new ATOM 0 HE21 GLN A 19 -12.922 28.209 3.293 1.00 61.11 H new ATOM 0 HE22 GLN A 19 -13.414 29.874 2.964 1.00 61.11 H new ATOM 304 N TYR A 20 -15.408 24.401 -1.585 1.00 33.11 N ATOM 305 CA TYR A 20 -16.521 23.459 -1.552 1.00 65.44 C ATOM 306 C TYR A 20 -16.047 22.046 -1.881 1.00 75.12 C ATOM 307 O TYR A 20 -16.401 21.087 -1.196 1.00 61.22 O ATOM 308 CB TYR A 20 -17.608 23.887 -2.539 1.00 71.21 C ATOM 309 CG TYR A 20 -18.546 24.937 -1.988 1.00 43.44 C ATOM 310 CD1 TYR A 20 -19.336 24.677 -0.876 1.00 12.11 C ATOM 311 CD2 TYR A 20 -18.640 26.191 -2.580 1.00 52.03 C ATOM 312 CE1 TYR A 20 -20.195 25.634 -0.370 1.00 63.11 C ATOM 313 CE2 TYR A 20 -19.495 27.154 -2.080 1.00 41.43 C ATOM 314 CZ TYR A 20 -20.270 26.871 -0.975 1.00 74.14 C ATOM 315 OH TYR A 20 -21.123 27.827 -0.474 1.00 13.13 O ATOM 0 H TYR A 20 -15.434 25.057 -2.365 1.00 33.11 H new ATOM 0 HA TYR A 20 -16.935 23.459 -0.544 1.00 65.44 H new ATOM 0 HB2 TYR A 20 -17.135 24.272 -3.443 1.00 71.21 H new ATOM 0 HB3 TYR A 20 -18.188 23.011 -2.831 1.00 71.21 H new ATOM 0 HD1 TYR A 20 -19.278 23.710 -0.398 1.00 12.11 H new ATOM 0 HD2 TYR A 20 -18.034 26.416 -3.445 1.00 52.03 H new ATOM 0 HE1 TYR A 20 -20.804 25.414 0.494 1.00 63.11 H new ATOM 0 HE2 TYR A 20 -19.556 28.123 -2.552 1.00 41.43 H new ATOM 0 HH TYR A 20 -21.055 28.642 -1.014 1.00 13.13 H new ATOM 325 N GLU A 21 -15.245 21.928 -2.934 1.00 71.35 N ATOM 326 CA GLU A 21 -14.723 20.633 -3.355 1.00 32.42 C ATOM 327 C GLU A 21 -13.843 20.022 -2.268 1.00 35.22 C ATOM 328 O GLU A 21 -13.971 18.841 -1.941 1.00 24.03 O ATOM 329 CB GLU A 21 -13.924 20.776 -4.652 1.00 14.21 C ATOM 330 CG GLU A 21 -14.714 21.408 -5.786 1.00 43.20 C ATOM 331 CD GLU A 21 -13.822 22.050 -6.831 1.00 23.11 C ATOM 332 OE1 GLU A 21 -13.054 22.967 -6.474 1.00 4.34 O ATOM 333 OE2 GLU A 21 -13.892 21.634 -8.006 1.00 60.14 O ATOM 0 H GLU A 21 -14.943 22.713 -3.511 1.00 71.35 H new ATOM 0 HA GLU A 21 -15.570 19.969 -3.530 1.00 32.42 H new ATOM 0 HB2 GLU A 21 -13.037 21.379 -4.458 1.00 14.21 H new ATOM 0 HB3 GLU A 21 -13.578 19.791 -4.966 1.00 14.21 H new ATOM 0 HG2 GLU A 21 -15.334 20.647 -6.260 1.00 43.20 H new ATOM 0 HG3 GLU A 21 -15.389 22.160 -5.378 1.00 43.20 H new ATOM 340 N LEU A 22 -12.951 20.834 -1.712 1.00 21.40 N ATOM 341 CA LEU A 22 -12.049 20.374 -0.662 1.00 5.43 C ATOM 342 C LEU A 22 -12.810 20.111 0.634 1.00 62.04 C ATOM 343 O LEU A 22 -12.455 19.219 1.404 1.00 30.40 O ATOM 344 CB LEU A 22 -10.949 21.409 -0.419 1.00 5.23 C ATOM 345 CG LEU A 22 -9.807 20.972 0.500 1.00 42.02 C ATOM 346 CD1 LEU A 22 -8.472 21.469 -0.034 1.00 13.32 C ATOM 347 CD2 LEU A 22 -10.039 21.477 1.916 1.00 4.33 C ATOM 0 H LEU A 22 -12.833 21.814 -1.970 1.00 21.40 H new ATOM 0 HA LEU A 22 -11.595 19.439 -0.991 1.00 5.43 H new ATOM 0 HB2 LEU A 22 -10.525 21.692 -1.382 1.00 5.23 H new ATOM 0 HB3 LEU A 22 -11.407 22.304 0.003 1.00 5.23 H new ATOM 0 HG LEU A 22 -9.782 19.883 0.524 1.00 42.02 H new ATOM 0 HD11 LEU A 22 -7.671 21.149 0.633 1.00 13.32 H new ATOM 0 HD12 LEU A 22 -8.302 21.058 -1.029 1.00 13.32 H new ATOM 0 HD13 LEU A 22 -8.485 22.558 -0.089 1.00 13.32 H new ATOM 0 HD21 LEU A 22 -9.217 21.157 2.556 1.00 4.33 H new ATOM 0 HD22 LEU A 22 -10.091 22.566 1.910 1.00 4.33 H new ATOM 0 HD23 LEU A 22 -10.976 21.071 2.298 1.00 4.33 H new ATOM 359 N PHE A 23 -13.859 20.892 0.866 1.00 14.12 N ATOM 360 CA PHE A 23 -14.672 20.743 2.068 1.00 73.43 C ATOM 361 C PHE A 23 -15.248 19.333 2.163 1.00 24.42 C ATOM 362 O PHE A 23 -15.133 18.673 3.195 1.00 25.44 O ATOM 363 CB PHE A 23 -15.806 21.770 2.073 1.00 73.21 C ATOM 364 CG PHE A 23 -16.790 21.571 3.190 1.00 10.04 C ATOM 365 CD1 PHE A 23 -16.547 22.100 4.448 1.00 65.14 C ATOM 366 CD2 PHE A 23 -17.958 20.855 2.984 1.00 60.24 C ATOM 367 CE1 PHE A 23 -17.450 21.919 5.478 1.00 1.11 C ATOM 368 CE2 PHE A 23 -18.865 20.671 4.010 1.00 11.21 C ATOM 369 CZ PHE A 23 -18.610 21.203 5.259 1.00 32.11 C ATOM 0 H PHE A 23 -14.167 21.635 0.238 1.00 14.12 H new ATOM 0 HA PHE A 23 -14.032 20.915 2.933 1.00 73.43 H new ATOM 0 HB2 PHE A 23 -15.379 22.770 2.149 1.00 73.21 H new ATOM 0 HB3 PHE A 23 -16.334 21.721 1.121 1.00 73.21 H new ATOM 0 HD1 PHE A 23 -15.641 22.660 4.625 1.00 65.14 H new ATOM 0 HD2 PHE A 23 -18.162 20.436 2.010 1.00 60.24 H new ATOM 0 HE1 PHE A 23 -17.249 22.337 6.453 1.00 1.11 H new ATOM 0 HE2 PHE A 23 -19.772 20.112 3.836 1.00 11.21 H new ATOM 0 HZ PHE A 23 -19.317 21.059 6.063 1.00 32.11 H new ATOM 379 N MET A 24 -15.868 18.878 1.079 1.00 44.30 N ATOM 380 CA MET A 24 -16.461 17.547 1.040 1.00 63.42 C ATOM 381 C MET A 24 -15.390 16.480 0.834 1.00 5.31 C ATOM 382 O MET A 24 -15.504 15.364 1.341 1.00 11.44 O ATOM 383 CB MET A 24 -17.503 17.462 -0.077 1.00 63.32 C ATOM 384 CG MET A 24 -18.906 17.162 0.423 1.00 75.12 C ATOM 385 SD MET A 24 -19.145 15.419 0.820 1.00 51.32 S ATOM 386 CE MET A 24 -20.669 15.078 -0.057 1.00 62.34 C ATOM 0 H MET A 24 -15.973 19.412 0.216 1.00 44.30 H new ATOM 0 HA MET A 24 -16.949 17.366 1.998 1.00 63.42 H new ATOM 0 HB2 MET A 24 -17.515 18.405 -0.624 1.00 63.32 H new ATOM 0 HB3 MET A 24 -17.204 16.687 -0.783 1.00 63.32 H new ATOM 0 HG2 MET A 24 -19.108 17.763 1.309 1.00 75.12 H new ATOM 0 HG3 MET A 24 -19.629 17.460 -0.336 1.00 75.12 H new ATOM 0 HE1 MET A 24 -20.653 14.054 -0.430 1.00 62.34 H new ATOM 0 HE2 MET A 24 -21.514 15.204 0.620 1.00 62.34 H new ATOM 0 HE3 MET A 24 -20.769 15.768 -0.895 1.00 62.34 H new ATOM 396 N LYS A 25 -14.348 16.830 0.087 1.00 54.54 N ATOM 397 CA LYS A 25 -13.256 15.904 -0.186 1.00 44.40 C ATOM 398 C LYS A 25 -12.539 15.513 1.103 1.00 55.52 C ATOM 399 O LYS A 25 -12.270 14.336 1.342 1.00 44.45 O ATOM 400 CB LYS A 25 -12.260 16.532 -1.165 1.00 34.41 C ATOM 401 CG LYS A 25 -11.095 15.622 -1.513 1.00 44.41 C ATOM 402 CD LYS A 25 -9.761 16.309 -1.273 1.00 43.43 C ATOM 403 CE LYS A 25 -9.510 16.538 0.209 1.00 11.04 C ATOM 404 NZ LYS A 25 -8.057 16.525 0.535 1.00 70.21 N ATOM 0 H LYS A 25 -14.237 17.750 -0.340 1.00 54.54 H new ATOM 0 HA LYS A 25 -13.679 15.005 -0.634 1.00 44.40 H new ATOM 0 HB2 LYS A 25 -12.785 16.803 -2.081 1.00 34.41 H new ATOM 0 HB3 LYS A 25 -11.873 17.456 -0.734 1.00 34.41 H new ATOM 0 HG2 LYS A 25 -11.150 14.713 -0.914 1.00 44.41 H new ATOM 0 HG3 LYS A 25 -11.167 15.320 -2.558 1.00 44.41 H new ATOM 0 HD2 LYS A 25 -8.958 15.701 -1.689 1.00 43.43 H new ATOM 0 HD3 LYS A 25 -9.743 17.264 -1.798 1.00 43.43 H new ATOM 0 HE2 LYS A 25 -9.940 17.494 0.506 1.00 11.04 H new ATOM 0 HE3 LYS A 25 -10.019 15.766 0.787 1.00 11.04 H new ATOM 0 HZ1 LYS A 25 -7.929 16.685 1.555 1.00 70.21 H new ATOM 0 HZ2 LYS A 25 -7.651 15.603 0.275 1.00 70.21 H new ATOM 0 HZ3 LYS A 25 -7.575 17.278 0.003 1.00 70.21 H new ATOM 418 N SER A 26 -12.236 16.508 1.931 1.00 63.13 N ATOM 419 CA SER A 26 -11.549 16.268 3.194 1.00 22.34 C ATOM 420 C SER A 26 -12.449 15.512 4.167 1.00 71.31 C ATOM 421 O SER A 26 -11.982 14.675 4.941 1.00 13.22 O ATOM 422 CB SER A 26 -11.105 17.592 3.818 1.00 45.44 C ATOM 423 OG SER A 26 -9.929 17.423 4.591 1.00 41.45 O ATOM 0 H SER A 26 -12.456 17.487 1.750 1.00 63.13 H new ATOM 0 HA SER A 26 -10.669 15.658 2.990 1.00 22.34 H new ATOM 0 HB2 SER A 26 -10.925 18.326 3.032 1.00 45.44 H new ATOM 0 HB3 SER A 26 -11.903 17.987 4.446 1.00 45.44 H new ATOM 0 HG SER A 26 -9.665 18.284 4.977 1.00 41.45 H new ATOM 429 N LEU A 27 -13.742 15.812 4.121 1.00 13.12 N ATOM 430 CA LEU A 27 -14.710 15.162 4.998 1.00 72.23 C ATOM 431 C LEU A 27 -14.926 13.708 4.588 1.00 44.41 C ATOM 432 O LEU A 27 -14.972 12.815 5.434 1.00 13.22 O ATOM 433 CB LEU A 27 -16.041 15.915 4.968 1.00 75.33 C ATOM 434 CG LEU A 27 -16.289 16.887 6.122 1.00 60.14 C ATOM 435 CD1 LEU A 27 -16.274 16.151 7.452 1.00 34.33 C ATOM 436 CD2 LEU A 27 -15.250 17.999 6.114 1.00 14.10 C ATOM 0 H LEU A 27 -14.145 16.501 3.486 1.00 13.12 H new ATOM 0 HA LEU A 27 -14.313 15.179 6.013 1.00 72.23 H new ATOM 0 HB2 LEU A 27 -16.100 16.471 4.032 1.00 75.33 H new ATOM 0 HB3 LEU A 27 -16.849 15.184 4.956 1.00 75.33 H new ATOM 0 HG LEU A 27 -17.274 17.335 5.990 1.00 60.14 H new ATOM 0 HD11 LEU A 27 -16.452 16.859 8.262 1.00 34.33 H new ATOM 0 HD12 LEU A 27 -17.055 15.391 7.456 1.00 34.33 H new ATOM 0 HD13 LEU A 27 -15.304 15.675 7.593 1.00 34.33 H new ATOM 0 HD21 LEU A 27 -15.441 18.682 6.942 1.00 14.10 H new ATOM 0 HD22 LEU A 27 -14.255 17.568 6.222 1.00 14.10 H new ATOM 0 HD23 LEU A 27 -15.309 18.545 5.172 1.00 14.10 H new ATOM 448 N ILE A 28 -15.054 13.479 3.285 1.00 1.34 N ATOM 449 CA ILE A 28 -15.261 12.134 2.764 1.00 44.03 C ATOM 450 C ILE A 28 -14.026 11.265 2.980 1.00 73.05 C ATOM 451 O ILE A 28 -14.125 10.142 3.472 1.00 21.14 O ATOM 452 CB ILE A 28 -15.601 12.159 1.262 1.00 60.21 C ATOM 453 CG1 ILE A 28 -16.959 12.827 1.035 1.00 4.13 C ATOM 454 CG2 ILE A 28 -15.598 10.747 0.695 1.00 72.02 C ATOM 455 CD1 ILE A 28 -18.134 11.934 1.364 1.00 32.21 C ATOM 0 H ILE A 28 -15.018 14.207 2.572 1.00 1.34 H new ATOM 0 HA ILE A 28 -16.102 11.709 3.312 1.00 44.03 H new ATOM 0 HB ILE A 28 -14.840 12.740 0.742 1.00 60.21 H new ATOM 0 HG12 ILE A 28 -17.017 13.729 1.644 1.00 4.13 H new ATOM 0 HG13 ILE A 28 -17.031 13.140 -0.007 1.00 4.13 H new ATOM 0 HG21 ILE A 28 -15.840 10.781 -0.367 1.00 72.02 H new ATOM 0 HG22 ILE A 28 -14.611 10.303 0.828 1.00 72.02 H new ATOM 0 HG23 ILE A 28 -16.341 10.144 1.217 1.00 72.02 H new ATOM 0 HD11 ILE A 28 -19.063 12.473 1.180 1.00 32.21 H new ATOM 0 HD12 ILE A 28 -18.101 11.043 0.737 1.00 32.21 H new ATOM 0 HD13 ILE A 28 -18.086 11.642 2.413 1.00 32.21 H new ATOM 467 N GLU A 29 -12.864 11.794 2.608 1.00 15.04 N ATOM 468 CA GLU A 29 -11.610 11.066 2.763 1.00 54.12 C ATOM 469 C GLU A 29 -11.308 10.809 4.236 1.00 12.44 C ATOM 470 O GLU A 29 -10.732 9.783 4.593 1.00 64.23 O ATOM 471 CB GLU A 29 -10.460 11.846 2.123 1.00 10.53 C ATOM 472 CG GLU A 29 -10.121 13.137 2.851 1.00 74.23 C ATOM 473 CD GLU A 29 -9.203 12.914 4.037 1.00 51.23 C ATOM 474 OE1 GLU A 29 -8.625 11.813 4.141 1.00 25.33 O ATOM 475 OE2 GLU A 29 -9.063 13.843 4.860 1.00 32.32 O ATOM 0 H GLU A 29 -12.765 12.723 2.198 1.00 15.04 H new ATOM 0 HA GLU A 29 -11.713 10.105 2.259 1.00 54.12 H new ATOM 0 HB2 GLU A 29 -9.574 11.212 2.094 1.00 10.53 H new ATOM 0 HB3 GLU A 29 -10.720 12.078 1.090 1.00 10.53 H new ATOM 0 HG2 GLU A 29 -9.647 13.829 2.155 1.00 74.23 H new ATOM 0 HG3 GLU A 29 -11.042 13.610 3.193 1.00 74.23 H new ATOM 482 N ASN A 30 -11.702 11.751 5.088 1.00 61.12 N ATOM 483 CA ASN A 30 -11.472 11.628 6.523 1.00 74.02 C ATOM 484 C ASN A 30 -12.271 10.465 7.104 1.00 51.12 C ATOM 485 O ASN A 30 -11.714 9.578 7.751 1.00 2.14 O ATOM 486 CB ASN A 30 -11.852 12.928 7.234 1.00 13.13 C ATOM 487 CG ASN A 30 -11.812 12.794 8.744 1.00 33.14 C ATOM 488 OD1 ASN A 30 -10.780 12.450 9.321 1.00 75.30 O ATOM 489 ND2 ASN A 30 -12.939 13.066 9.392 1.00 32.54 N ATOM 0 H ASN A 30 -12.182 12.607 4.809 1.00 61.12 H new ATOM 0 HA ASN A 30 -10.411 11.432 6.681 1.00 74.02 H new ATOM 0 HB2 ASN A 30 -11.171 13.721 6.924 1.00 13.13 H new ATOM 0 HB3 ASN A 30 -12.853 13.229 6.925 1.00 13.13 H new ATOM 0 HD21 ASN A 30 -12.973 12.993 10.409 1.00 32.54 H new ATOM 0 HD22 ASN A 30 -13.771 13.348 8.873 1.00 32.54 H new ATOM 496 N CYS A 31 -13.578 10.476 6.867 1.00 32.03 N ATOM 497 CA CYS A 31 -14.454 9.422 7.367 1.00 14.30 C ATOM 498 C CYS A 31 -14.160 8.096 6.674 1.00 50.12 C ATOM 499 O CYS A 31 -14.049 7.055 7.322 1.00 4.20 O ATOM 500 CB CYS A 31 -15.920 9.807 7.158 1.00 63.13 C ATOM 501 SG CYS A 31 -16.783 10.279 8.675 1.00 71.23 S ATOM 0 H CYS A 31 -14.054 11.202 6.332 1.00 32.03 H new ATOM 0 HA CYS A 31 -14.266 9.303 8.434 1.00 14.30 H new ATOM 0 HB2 CYS A 31 -15.970 10.636 6.452 1.00 63.13 H new ATOM 0 HB3 CYS A 31 -16.443 8.967 6.701 1.00 63.13 H new ATOM 0 HG CYS A 31 -16.687 11.564 8.847 1.00 71.23 H new ATOM 507 N LYS A 32 -14.036 8.140 5.352 1.00 55.24 N ATOM 508 CA LYS A 32 -13.756 6.943 4.568 1.00 24.25 C ATOM 509 C LYS A 32 -12.418 6.330 4.972 1.00 13.11 C ATOM 510 O LYS A 32 -12.225 5.118 4.876 1.00 5.00 O ATOM 511 CB LYS A 32 -13.746 7.276 3.075 1.00 61.01 C ATOM 512 CG LYS A 32 -15.130 7.512 2.495 1.00 1.14 C ATOM 513 CD LYS A 32 -15.091 7.604 0.979 1.00 13.32 C ATOM 514 CE LYS A 32 -14.704 6.275 0.350 1.00 41.03 C ATOM 515 NZ LYS A 32 -13.477 6.394 -0.486 1.00 72.22 N ATOM 0 H LYS A 32 -14.125 8.993 4.800 1.00 55.24 H new ATOM 0 HA LYS A 32 -14.544 6.217 4.766 1.00 24.25 H new ATOM 0 HB2 LYS A 32 -13.137 8.166 2.914 1.00 61.01 H new ATOM 0 HB3 LYS A 32 -13.268 6.460 2.533 1.00 61.01 H new ATOM 0 HG2 LYS A 32 -15.794 6.701 2.794 1.00 1.14 H new ATOM 0 HG3 LYS A 32 -15.546 8.432 2.906 1.00 1.14 H new ATOM 0 HD2 LYS A 32 -16.068 7.913 0.607 1.00 13.32 H new ATOM 0 HD3 LYS A 32 -14.378 8.372 0.678 1.00 13.32 H new ATOM 0 HE2 LYS A 32 -14.539 5.536 1.134 1.00 41.03 H new ATOM 0 HE3 LYS A 32 -15.528 5.910 -0.264 1.00 41.03 H new ATOM 0 HZ1 LYS A 32 -13.246 5.467 -0.897 1.00 72.22 H new ATOM 0 HZ2 LYS A 32 -13.643 7.080 -1.250 1.00 72.22 H new ATOM 0 HZ3 LYS A 32 -12.685 6.718 0.105 1.00 72.22 H new ATOM 529 N LYS A 33 -11.498 7.175 5.425 1.00 34.14 N ATOM 530 CA LYS A 33 -10.180 6.717 5.847 1.00 43.12 C ATOM 531 C LYS A 33 -10.292 5.705 6.983 1.00 54.32 C ATOM 532 O LYS A 33 -9.359 4.946 7.245 1.00 13.32 O ATOM 533 CB LYS A 33 -9.323 7.905 6.290 1.00 24.35 C ATOM 534 CG LYS A 33 -8.304 8.342 5.252 1.00 73.44 C ATOM 535 CD LYS A 33 -6.882 8.128 5.741 1.00 3.41 C ATOM 536 CE LYS A 33 -6.256 9.430 6.219 1.00 64.43 C ATOM 537 NZ LYS A 33 -5.462 9.239 7.464 1.00 30.13 N ATOM 0 H LYS A 33 -11.641 8.181 5.509 1.00 34.14 H new ATOM 0 HA LYS A 33 -9.703 6.229 4.997 1.00 43.12 H new ATOM 0 HB2 LYS A 33 -9.976 8.746 6.522 1.00 24.35 H new ATOM 0 HB3 LYS A 33 -8.802 7.643 7.210 1.00 24.35 H new ATOM 0 HG2 LYS A 33 -8.460 7.783 4.330 1.00 73.44 H new ATOM 0 HG3 LYS A 33 -8.453 9.395 5.015 1.00 73.44 H new ATOM 0 HD2 LYS A 33 -6.881 7.402 6.554 1.00 3.41 H new ATOM 0 HD3 LYS A 33 -6.279 7.707 4.937 1.00 3.41 H new ATOM 0 HE2 LYS A 33 -5.613 9.833 5.436 1.00 64.43 H new ATOM 0 HE3 LYS A 33 -7.040 10.166 6.397 1.00 64.43 H new ATOM 0 HZ1 LYS A 33 -5.052 10.149 7.757 1.00 30.13 H new ATOM 0 HZ2 LYS A 33 -6.081 8.879 8.218 1.00 30.13 H new ATOM 0 HZ3 LYS A 33 -4.698 8.556 7.287 1.00 30.13 H new ATOM 551 N ARG A 34 -11.440 5.699 7.652 1.00 15.42 N ATOM 552 CA ARG A 34 -11.674 4.780 8.760 1.00 55.55 C ATOM 553 C ARG A 34 -12.009 3.383 8.245 1.00 11.42 C ATOM 554 O ARG A 34 -12.180 2.448 9.026 1.00 3.31 O ATOM 555 CB ARG A 34 -12.810 5.295 9.646 1.00 73.12 C ATOM 556 CG ARG A 34 -12.438 5.396 11.116 1.00 61.50 C ATOM 557 CD ARG A 34 -11.384 6.466 11.352 1.00 50.23 C ATOM 558 NE ARG A 34 -11.627 7.212 12.584 1.00 73.23 N ATOM 559 CZ ARG A 34 -10.693 7.915 13.214 1.00 61.22 C ATOM 560 NH1 ARG A 34 -9.460 7.968 12.730 1.00 4.20 N ATOM 561 NH2 ARG A 34 -10.991 8.567 14.330 1.00 35.13 N ATOM 0 H ARG A 34 -12.223 6.320 7.446 1.00 15.42 H new ATOM 0 HA ARG A 34 -10.760 4.721 9.351 1.00 55.55 H new ATOM 0 HB2 ARG A 34 -13.120 6.277 9.290 1.00 73.12 H new ATOM 0 HB3 ARG A 34 -13.669 4.633 9.542 1.00 73.12 H new ATOM 0 HG2 ARG A 34 -13.328 5.625 11.703 1.00 61.50 H new ATOM 0 HG3 ARG A 34 -12.065 4.433 11.465 1.00 61.50 H new ATOM 0 HD2 ARG A 34 -10.399 6.001 11.398 1.00 50.23 H new ATOM 0 HD3 ARG A 34 -11.372 7.155 10.508 1.00 50.23 H new ATOM 0 HE ARG A 34 -12.566 7.192 12.982 1.00 73.23 H new ATOM 0 HH11 ARG A 34 -9.227 7.468 11.872 1.00 4.20 H new ATOM 0 HH12 ARG A 34 -8.744 8.509 13.216 1.00 4.20 H new ATOM 0 HH21 ARG A 34 -11.939 8.529 14.705 1.00 35.13 H new ATOM 0 HH22 ARG A 34 -10.273 9.107 14.813 1.00 35.13 H new ATOM 575 N ASN A 35 -12.102 3.251 6.926 1.00 22.50 N ATOM 576 CA ASN A 35 -12.417 1.968 6.307 1.00 12.13 C ATOM 577 C ASN A 35 -11.484 1.686 5.134 1.00 63.00 C ATOM 578 O ASN A 35 -10.764 0.687 5.126 1.00 14.53 O ATOM 579 CB ASN A 35 -13.871 1.951 5.832 1.00 14.40 C ATOM 580 CG ASN A 35 -14.850 1.740 6.971 1.00 24.53 C ATOM 581 OD1 ASN A 35 -15.195 2.677 7.690 1.00 12.40 O ATOM 582 ND2 ASN A 35 -15.301 0.502 7.141 1.00 4.12 N ATOM 0 H ASN A 35 -11.964 4.016 6.265 1.00 22.50 H new ATOM 0 HA ASN A 35 -12.277 1.188 7.055 1.00 12.13 H new ATOM 0 HB2 ASN A 35 -14.098 2.892 5.332 1.00 14.40 H new ATOM 0 HB3 ASN A 35 -14.000 1.159 5.094 1.00 14.40 H new ATOM 0 HD21 ASN A 35 -15.961 0.298 7.892 1.00 4.12 H new ATOM 0 HD22 ASN A 35 -14.988 -0.245 6.521 1.00 4.12 H new ATOM 589 N MET A 36 -11.501 2.573 4.145 1.00 40.23 N ATOM 590 CA MET A 36 -10.655 2.421 2.967 1.00 64.51 C ATOM 591 C MET A 36 -9.847 3.689 2.710 1.00 63.41 C ATOM 592 O MET A 36 -10.132 4.460 1.794 1.00 50.11 O ATOM 593 CB MET A 36 -11.506 2.087 1.740 1.00 31.04 C ATOM 594 CG MET A 36 -11.659 0.595 1.494 1.00 32.25 C ATOM 595 SD MET A 36 -10.333 -0.081 0.477 1.00 23.24 S ATOM 596 CE MET A 36 -11.083 -1.606 -0.089 1.00 15.41 C ATOM 0 H MET A 36 -12.091 3.405 4.136 1.00 40.23 H new ATOM 0 HA MET A 36 -9.961 1.601 3.153 1.00 64.51 H new ATOM 0 HB2 MET A 36 -12.494 2.530 1.862 1.00 31.04 H new ATOM 0 HB3 MET A 36 -11.057 2.548 0.860 1.00 31.04 H new ATOM 0 HG2 MET A 36 -11.680 0.073 2.451 1.00 32.25 H new ATOM 0 HG3 MET A 36 -12.616 0.407 1.008 1.00 32.25 H new ATOM 0 HE1 MET A 36 -10.383 -2.139 -0.732 1.00 15.41 H new ATOM 0 HE2 MET A 36 -11.334 -2.229 0.770 1.00 15.41 H new ATOM 0 HE3 MET A 36 -11.990 -1.379 -0.650 1.00 15.41 H new ATOM 606 N PRO A 37 -8.814 3.911 3.536 1.00 11.35 N ATOM 607 CA PRO A 37 -7.944 5.085 3.418 1.00 50.11 C ATOM 608 C PRO A 37 -7.064 5.031 2.174 1.00 25.31 C ATOM 609 O PRO A 37 -6.854 3.964 1.596 1.00 63.44 O ATOM 610 CB PRO A 37 -7.086 5.020 4.684 1.00 61.12 C ATOM 611 CG PRO A 37 -7.076 3.579 5.061 1.00 70.31 C ATOM 612 CD PRO A 37 -8.416 3.034 4.650 1.00 30.02 C ATOM 0 HA PRO A 37 -8.516 6.008 3.322 1.00 50.11 H new ATOM 0 HB2 PRO A 37 -6.077 5.387 4.498 1.00 61.12 H new ATOM 0 HB3 PRO A 37 -7.507 5.635 5.480 1.00 61.12 H new ATOM 0 HG2 PRO A 37 -6.268 3.049 4.557 1.00 70.31 H new ATOM 0 HG3 PRO A 37 -6.917 3.457 6.132 1.00 70.31 H new ATOM 0 HD2 PRO A 37 -8.347 1.992 4.336 1.00 30.02 H new ATOM 0 HD3 PRO A 37 -9.134 3.074 5.469 1.00 30.02 H new ATOM 620 N LEU A 38 -6.550 6.186 1.767 1.00 11.45 N ATOM 621 CA LEU A 38 -5.691 6.270 0.592 1.00 41.44 C ATOM 622 C LEU A 38 -4.244 6.542 0.992 1.00 15.24 C ATOM 623 O LEU A 38 -3.901 6.505 2.173 1.00 1.25 O ATOM 624 CB LEU A 38 -6.187 7.370 -0.349 1.00 64.02 C ATOM 625 CG LEU A 38 -6.701 6.906 -1.712 1.00 62.43 C ATOM 626 CD1 LEU A 38 -5.624 6.126 -2.452 1.00 35.15 C ATOM 627 CD2 LEU A 38 -7.956 6.062 -1.549 1.00 75.44 C ATOM 0 H LEU A 38 -6.713 7.078 2.234 1.00 11.45 H new ATOM 0 HA LEU A 38 -5.731 5.311 0.075 1.00 41.44 H new ATOM 0 HB2 LEU A 38 -6.987 7.916 0.152 1.00 64.02 H new ATOM 0 HB3 LEU A 38 -5.373 8.076 -0.511 1.00 64.02 H new ATOM 0 HG LEU A 38 -6.953 7.787 -2.303 1.00 62.43 H new ATOM 0 HD11 LEU A 38 -6.008 5.804 -3.420 1.00 35.15 H new ATOM 0 HD12 LEU A 38 -4.752 6.762 -2.601 1.00 35.15 H new ATOM 0 HD13 LEU A 38 -5.340 5.252 -1.866 1.00 35.15 H new ATOM 0 HD21 LEU A 38 -8.308 5.740 -2.529 1.00 75.44 H new ATOM 0 HD22 LEU A 38 -7.729 5.187 -0.940 1.00 75.44 H new ATOM 0 HD23 LEU A 38 -8.731 6.653 -1.061 1.00 75.44 H new ATOM 639 N GLN A 39 -3.403 6.817 0.001 1.00 2.21 N ATOM 640 CA GLN A 39 -1.994 7.097 0.251 1.00 21.14 C ATOM 641 C GLN A 39 -1.815 8.479 0.871 1.00 41.25 C ATOM 642 O GLN A 39 -0.930 8.689 1.700 1.00 64.23 O ATOM 643 CB GLN A 39 -1.194 7.000 -1.049 1.00 11.11 C ATOM 644 CG GLN A 39 0.239 6.535 -0.848 1.00 42.04 C ATOM 645 CD GLN A 39 1.213 7.689 -0.706 1.00 35.51 C ATOM 646 OE1 GLN A 39 1.444 8.441 -1.653 1.00 23.14 O ATOM 647 NE2 GLN A 39 1.789 7.834 0.482 1.00 55.23 N ATOM 0 H GLN A 39 -3.672 6.852 -0.982 1.00 2.21 H new ATOM 0 HA GLN A 39 -1.621 6.353 0.955 1.00 21.14 H new ATOM 0 HB2 GLN A 39 -1.699 6.311 -1.726 1.00 11.11 H new ATOM 0 HB3 GLN A 39 -1.186 7.976 -1.535 1.00 11.11 H new ATOM 0 HG2 GLN A 39 0.292 5.908 0.042 1.00 42.04 H new ATOM 0 HG3 GLN A 39 0.537 5.915 -1.693 1.00 42.04 H new ATOM 0 HE21 GLN A 39 1.567 7.187 1.239 1.00 55.23 H new ATOM 0 HE22 GLN A 39 2.453 8.593 0.638 1.00 55.23 H new ATOM 656 N SER A 40 -2.661 9.419 0.462 1.00 51.31 N ATOM 657 CA SER A 40 -2.594 10.783 0.973 1.00 4.15 C ATOM 658 C SER A 40 -3.843 11.570 0.589 1.00 31.24 C ATOM 659 O SER A 40 -4.721 11.806 1.420 1.00 5.43 O ATOM 660 CB SER A 40 -1.347 11.490 0.438 1.00 52.33 C ATOM 661 OG SER A 40 -0.252 11.334 1.323 1.00 21.12 O ATOM 0 H SER A 40 -3.401 9.261 -0.222 1.00 51.31 H new ATOM 0 HA SER A 40 -2.537 10.734 2.060 1.00 4.15 H new ATOM 0 HB2 SER A 40 -1.088 11.086 -0.541 1.00 52.33 H new ATOM 0 HB3 SER A 40 -1.558 12.550 0.299 1.00 52.33 H new ATOM 0 HG SER A 40 -0.219 10.408 1.642 1.00 21.12 H new ATOM 667 N ILE A 41 -3.916 11.972 -0.675 1.00 2.11 N ATOM 668 CA ILE A 41 -5.057 12.731 -1.170 1.00 55.11 C ATOM 669 C ILE A 41 -5.862 11.918 -2.178 1.00 54.24 C ATOM 670 O ILE A 41 -5.531 11.847 -3.362 1.00 24.42 O ATOM 671 CB ILE A 41 -4.613 14.050 -1.829 1.00 14.52 C ATOM 672 CG1 ILE A 41 -3.463 13.796 -2.805 1.00 51.52 C ATOM 673 CG2 ILE A 41 -4.202 15.060 -0.768 1.00 24.13 C ATOM 674 CD1 ILE A 41 -3.596 14.557 -4.106 1.00 61.53 C ATOM 0 H ILE A 41 -3.198 11.785 -1.375 1.00 2.11 H new ATOM 0 HA ILE A 41 -5.683 12.958 -0.307 1.00 55.11 H new ATOM 0 HB ILE A 41 -5.454 14.461 -2.387 1.00 14.52 H new ATOM 0 HG12 ILE A 41 -2.523 14.072 -2.326 1.00 51.52 H new ATOM 0 HG13 ILE A 41 -3.410 12.729 -3.021 1.00 51.52 H new ATOM 0 HG21 ILE A 41 -3.891 15.987 -1.249 1.00 24.13 H new ATOM 0 HG22 ILE A 41 -5.047 15.259 -0.109 1.00 24.13 H new ATOM 0 HG23 ILE A 41 -3.374 14.658 -0.185 1.00 24.13 H new ATOM 0 HD11 ILE A 41 -2.746 14.329 -4.749 1.00 61.53 H new ATOM 0 HD12 ILE A 41 -4.519 14.264 -4.606 1.00 61.53 H new ATOM 0 HD13 ILE A 41 -3.619 15.627 -3.901 1.00 61.53 H new ATOM 686 N PRO A 42 -6.948 11.291 -1.701 1.00 41.32 N ATOM 687 CA PRO A 42 -7.825 10.474 -2.545 1.00 22.22 C ATOM 688 C PRO A 42 -8.625 11.314 -3.535 1.00 25.22 C ATOM 689 O PRO A 42 -9.507 12.077 -3.144 1.00 21.04 O ATOM 690 CB PRO A 42 -8.760 9.801 -1.537 1.00 61.30 C ATOM 691 CG PRO A 42 -8.774 10.717 -0.362 1.00 43.05 C ATOM 692 CD PRO A 42 -7.403 11.333 -0.301 1.00 72.34 C ATOM 0 HA PRO A 42 -7.261 9.772 -3.159 1.00 22.22 H new ATOM 0 HB2 PRO A 42 -9.760 9.672 -1.950 1.00 61.30 H new ATOM 0 HB3 PRO A 42 -8.398 8.810 -1.262 1.00 61.30 H new ATOM 0 HG2 PRO A 42 -9.541 11.483 -0.473 1.00 43.05 H new ATOM 0 HG3 PRO A 42 -8.998 10.172 0.555 1.00 43.05 H new ATOM 0 HD2 PRO A 42 -7.438 12.354 0.080 1.00 72.34 H new ATOM 0 HD3 PRO A 42 -6.738 10.770 0.355 1.00 72.34 H new ATOM 700 N GLU A 43 -8.310 11.167 -4.818 1.00 43.31 N ATOM 701 CA GLU A 43 -9.000 11.914 -5.863 1.00 70.13 C ATOM 702 C GLU A 43 -8.980 11.147 -7.183 1.00 14.43 C ATOM 703 O GLU A 43 -7.987 10.504 -7.524 1.00 54.32 O ATOM 704 CB GLU A 43 -8.355 13.289 -6.050 1.00 23.32 C ATOM 705 CG GLU A 43 -9.241 14.283 -6.780 1.00 55.21 C ATOM 706 CD GLU A 43 -8.459 15.445 -7.361 1.00 54.03 C ATOM 707 OE1 GLU A 43 -7.292 15.634 -6.962 1.00 3.04 O ATOM 708 OE2 GLU A 43 -9.016 16.165 -8.217 1.00 0.24 O ATOM 0 H GLU A 43 -7.582 10.538 -5.158 1.00 43.31 H new ATOM 0 HA GLU A 43 -10.037 12.047 -5.554 1.00 70.13 H new ATOM 0 HB2 GLU A 43 -8.096 13.696 -5.072 1.00 23.32 H new ATOM 0 HB3 GLU A 43 -7.423 13.172 -6.603 1.00 23.32 H new ATOM 0 HG2 GLU A 43 -9.772 13.770 -7.582 1.00 55.21 H new ATOM 0 HG3 GLU A 43 -9.995 14.665 -6.092 1.00 55.21 H new ATOM 715 N ILE A 44 -10.084 11.221 -7.919 1.00 30.30 N ATOM 716 CA ILE A 44 -10.194 10.535 -9.200 1.00 63.34 C ATOM 717 C ILE A 44 -11.133 11.279 -10.144 1.00 20.34 C ATOM 718 O ILE A 44 -12.329 11.397 -9.880 1.00 61.32 O ATOM 719 CB ILE A 44 -10.699 9.091 -9.024 1.00 71.45 C ATOM 720 CG1 ILE A 44 -9.751 8.302 -8.118 1.00 52.24 C ATOM 721 CG2 ILE A 44 -10.836 8.409 -10.378 1.00 32.13 C ATOM 722 CD1 ILE A 44 -10.170 6.863 -7.912 1.00 45.25 C ATOM 0 H ILE A 44 -10.914 11.749 -7.650 1.00 30.30 H new ATOM 0 HA ILE A 44 -9.193 10.511 -9.632 1.00 63.34 H new ATOM 0 HB ILE A 44 -11.681 9.121 -8.552 1.00 71.45 H new ATOM 0 HG12 ILE A 44 -8.750 8.322 -8.548 1.00 52.24 H new ATOM 0 HG13 ILE A 44 -9.692 8.797 -7.149 1.00 52.24 H new ATOM 0 HG21 ILE A 44 -11.194 7.389 -10.237 1.00 32.13 H new ATOM 0 HG22 ILE A 44 -11.546 8.961 -10.993 1.00 32.13 H new ATOM 0 HG23 ILE A 44 -9.866 8.388 -10.875 1.00 32.13 H new ATOM 0 HD11 ILE A 44 -9.452 6.365 -7.260 1.00 45.25 H new ATOM 0 HD12 ILE A 44 -11.158 6.834 -7.453 1.00 45.25 H new ATOM 0 HD13 ILE A 44 -10.201 6.352 -8.874 1.00 45.25 H new ATOM 734 N GLY A 45 -10.582 11.778 -11.246 1.00 55.21 N ATOM 735 CA GLY A 45 -11.386 12.503 -12.213 1.00 44.23 C ATOM 736 C GLY A 45 -11.171 14.002 -12.138 1.00 61.22 C ATOM 737 O GLY A 45 -10.393 14.563 -12.908 1.00 51.33 O ATOM 0 H GLY A 45 -9.594 11.693 -11.486 1.00 55.21 H new ATOM 0 HA2 GLY A 45 -11.144 12.154 -13.217 1.00 44.23 H new ATOM 0 HA3 GLY A 45 -12.440 12.281 -12.044 1.00 44.23 H new ATOM 741 N ASN A 46 -11.864 14.651 -11.209 1.00 1.54 N ATOM 742 CA ASN A 46 -11.747 16.095 -11.037 1.00 42.14 C ATOM 743 C ASN A 46 -12.645 16.583 -9.905 1.00 2.13 C ATOM 744 O ASN A 46 -13.245 17.654 -9.993 1.00 14.24 O ATOM 745 CB ASN A 46 -12.110 16.815 -12.338 1.00 32.14 C ATOM 746 CG ASN A 46 -11.164 17.958 -12.650 1.00 23.13 C ATOM 747 OD1 ASN A 46 -10.528 17.982 -13.704 1.00 12.21 O ATOM 748 ND2 ASN A 46 -11.066 18.912 -11.731 1.00 44.24 N ATOM 0 H ASN A 46 -12.513 14.201 -10.563 1.00 1.54 H new ATOM 0 HA ASN A 46 -10.713 16.323 -10.779 1.00 42.14 H new ATOM 0 HB2 ASN A 46 -12.096 16.101 -13.161 1.00 32.14 H new ATOM 0 HB3 ASN A 46 -13.128 17.199 -12.266 1.00 32.14 H new ATOM 0 HD21 ASN A 46 -10.444 19.706 -11.884 1.00 44.24 H new ATOM 0 HD22 ASN A 46 -11.612 18.851 -10.872 1.00 44.24 H new ATOM 755 N ARG A 47 -12.731 15.790 -8.842 1.00 3.35 N ATOM 756 CA ARG A 47 -13.555 16.141 -7.692 1.00 35.04 C ATOM 757 C ARG A 47 -15.029 16.212 -8.081 1.00 32.41 C ATOM 758 O ARG A 47 -15.462 17.150 -8.750 1.00 42.21 O ATOM 759 CB ARG A 47 -13.107 17.481 -7.105 1.00 71.12 C ATOM 760 CG ARG A 47 -11.597 17.629 -7.010 1.00 55.51 C ATOM 761 CD ARG A 47 -11.171 18.110 -5.632 1.00 23.01 C ATOM 762 NE ARG A 47 -10.965 19.555 -5.596 1.00 5.32 N ATOM 763 CZ ARG A 47 -10.660 20.227 -4.491 1.00 20.22 C ATOM 764 NH1 ARG A 47 -10.526 19.586 -3.338 1.00 15.55 N ATOM 765 NH2 ARG A 47 -10.488 21.542 -4.538 1.00 62.32 N ATOM 0 H ARG A 47 -12.240 14.900 -8.753 1.00 3.35 H new ATOM 0 HA ARG A 47 -13.432 15.363 -6.938 1.00 35.04 H new ATOM 0 HB2 ARG A 47 -13.505 18.289 -7.719 1.00 71.12 H new ATOM 0 HB3 ARG A 47 -13.538 17.595 -6.110 1.00 71.12 H new ATOM 0 HG2 ARG A 47 -11.122 16.672 -7.226 1.00 55.51 H new ATOM 0 HG3 ARG A 47 -11.251 18.334 -7.766 1.00 55.51 H new ATOM 0 HD2 ARG A 47 -11.931 17.834 -4.901 1.00 23.01 H new ATOM 0 HD3 ARG A 47 -10.250 17.605 -5.341 1.00 23.01 H new ATOM 0 HE ARG A 47 -11.060 20.077 -6.467 1.00 5.32 H new ATOM 0 HH11 ARG A 47 -10.657 18.575 -3.298 1.00 15.55 H new ATOM 0 HH12 ARG A 47 -10.292 20.104 -2.491 1.00 15.55 H new ATOM 0 HH21 ARG A 47 -10.590 22.038 -5.423 1.00 62.32 H new ATOM 0 HH22 ARG A 47 -10.254 22.056 -3.689 1.00 62.32 H new ATOM 779 N LYS A 48 -15.796 15.212 -7.658 1.00 10.42 N ATOM 780 CA LYS A 48 -17.221 15.160 -7.960 1.00 74.05 C ATOM 781 C LYS A 48 -18.004 14.565 -6.794 1.00 2.31 C ATOM 782 O LYS A 48 -19.173 14.206 -6.938 1.00 24.52 O ATOM 783 CB LYS A 48 -17.465 14.334 -9.226 1.00 10.04 C ATOM 784 CG LYS A 48 -17.030 15.033 -10.502 1.00 11.53 C ATOM 785 CD LYS A 48 -16.772 14.040 -11.622 1.00 74.02 C ATOM 786 CE LYS A 48 -15.308 13.634 -11.681 1.00 42.13 C ATOM 787 NZ LYS A 48 -14.699 13.946 -13.004 1.00 22.10 N ATOM 0 H LYS A 48 -15.454 14.426 -7.105 1.00 10.42 H new ATOM 0 HA LYS A 48 -17.569 16.180 -8.125 1.00 74.05 H new ATOM 0 HB2 LYS A 48 -16.931 13.387 -9.140 1.00 10.04 H new ATOM 0 HB3 LYS A 48 -18.527 14.096 -9.296 1.00 10.04 H new ATOM 0 HG2 LYS A 48 -17.800 15.740 -10.811 1.00 11.53 H new ATOM 0 HG3 LYS A 48 -16.126 15.611 -10.311 1.00 11.53 H new ATOM 0 HD2 LYS A 48 -17.390 13.155 -11.474 1.00 74.02 H new ATOM 0 HD3 LYS A 48 -17.067 14.480 -12.575 1.00 74.02 H new ATOM 0 HE2 LYS A 48 -14.756 14.151 -10.896 1.00 42.13 H new ATOM 0 HE3 LYS A 48 -15.219 12.566 -11.483 1.00 42.13 H new ATOM 0 HZ1 LYS A 48 -13.923 13.281 -13.194 1.00 22.10 H new ATOM 0 HZ2 LYS A 48 -15.421 13.858 -13.748 1.00 22.10 H new ATOM 0 HZ3 LYS A 48 -14.328 14.917 -12.995 1.00 22.10 H new ATOM 801 N ILE A 49 -17.353 14.467 -5.640 1.00 23.51 N ATOM 802 CA ILE A 49 -17.989 13.918 -4.449 1.00 12.12 C ATOM 803 C ILE A 49 -18.756 14.996 -3.689 1.00 64.34 C ATOM 804 O ILE A 49 -19.462 14.706 -2.725 1.00 12.00 O ATOM 805 CB ILE A 49 -16.957 13.276 -3.504 1.00 25.03 C ATOM 806 CG1 ILE A 49 -15.988 12.394 -4.295 1.00 1.34 C ATOM 807 CG2 ILE A 49 -17.658 12.465 -2.424 1.00 54.44 C ATOM 808 CD1 ILE A 49 -14.815 11.901 -3.477 1.00 22.01 C ATOM 0 H ILE A 49 -16.386 14.761 -5.504 1.00 23.51 H new ATOM 0 HA ILE A 49 -18.685 13.151 -4.789 1.00 12.12 H new ATOM 0 HB ILE A 49 -16.386 14.069 -3.022 1.00 25.03 H new ATOM 0 HG12 ILE A 49 -16.531 11.536 -4.691 1.00 1.34 H new ATOM 0 HG13 ILE A 49 -15.613 12.956 -5.150 1.00 1.34 H new ATOM 0 HG21 ILE A 49 -16.914 12.018 -1.764 1.00 54.44 H new ATOM 0 HG22 ILE A 49 -18.311 13.118 -1.845 1.00 54.44 H new ATOM 0 HG23 ILE A 49 -18.252 11.677 -2.888 1.00 54.44 H new ATOM 0 HD11 ILE A 49 -14.170 11.282 -4.101 1.00 22.01 H new ATOM 0 HD12 ILE A 49 -14.248 12.754 -3.103 1.00 22.01 H new ATOM 0 HD13 ILE A 49 -15.180 11.311 -2.636 1.00 22.01 H new ATOM 820 N ASN A 50 -18.612 16.240 -4.133 1.00 44.30 N ATOM 821 CA ASN A 50 -19.292 17.362 -3.496 1.00 4.20 C ATOM 822 C ASN A 50 -20.776 17.369 -3.847 1.00 53.14 C ATOM 823 O ASN A 50 -21.176 16.893 -4.911 1.00 31.03 O ATOM 824 CB ASN A 50 -18.649 18.684 -3.922 1.00 71.34 C ATOM 825 CG ASN A 50 -19.281 19.881 -3.239 1.00 23.15 C ATOM 826 OD1 ASN A 50 -19.604 20.879 -3.883 1.00 75.41 O ATOM 827 ND2 ASN A 50 -19.459 19.787 -1.926 1.00 24.50 N ATOM 0 H ASN A 50 -18.031 16.497 -4.931 1.00 44.30 H new ATOM 0 HA ASN A 50 -19.193 17.249 -2.416 1.00 4.20 H new ATOM 0 HB2 ASN A 50 -17.584 18.658 -3.691 1.00 71.34 H new ATOM 0 HB3 ASN A 50 -18.738 18.797 -5.002 1.00 71.34 H new ATOM 0 HD21 ASN A 50 -19.878 20.561 -1.411 1.00 24.50 H new ATOM 0 HD22 ASN A 50 -19.176 18.940 -1.432 1.00 24.50 H new ATOM 834 N LEU A 51 -21.589 17.912 -2.948 1.00 1.23 N ATOM 835 CA LEU A 51 -23.030 17.982 -3.162 1.00 52.32 C ATOM 836 C LEU A 51 -23.370 18.999 -4.247 1.00 74.34 C ATOM 837 O LEU A 51 -24.449 18.952 -4.840 1.00 3.30 O ATOM 838 CB LEU A 51 -23.742 18.352 -1.860 1.00 0.33 C ATOM 839 CG LEU A 51 -24.834 17.388 -1.394 1.00 41.34 C ATOM 840 CD1 LEU A 51 -25.833 17.134 -2.512 1.00 54.21 C ATOM 841 CD2 LEU A 51 -24.222 16.080 -0.916 1.00 62.32 C ATOM 0 H LEU A 51 -21.275 18.311 -2.063 1.00 1.23 H new ATOM 0 HA LEU A 51 -23.372 17.000 -3.489 1.00 52.32 H new ATOM 0 HB2 LEU A 51 -22.995 18.431 -1.071 1.00 0.33 H new ATOM 0 HB3 LEU A 51 -24.185 19.341 -1.980 1.00 0.33 H new ATOM 0 HG LEU A 51 -25.363 17.845 -0.558 1.00 41.34 H new ATOM 0 HD11 LEU A 51 -26.603 16.446 -2.163 1.00 54.21 H new ATOM 0 HD12 LEU A 51 -26.295 18.076 -2.808 1.00 54.21 H new ATOM 0 HD13 LEU A 51 -25.318 16.698 -3.368 1.00 54.21 H new ATOM 0 HD21 LEU A 51 -25.014 15.406 -0.588 1.00 62.32 H new ATOM 0 HD22 LEU A 51 -23.667 15.618 -1.733 1.00 62.32 H new ATOM 0 HD23 LEU A 51 -23.546 16.277 -0.084 1.00 62.32 H new ATOM 853 N PHE A 52 -22.443 19.915 -4.504 1.00 40.14 N ATOM 854 CA PHE A 52 -22.644 20.942 -5.520 1.00 1.44 C ATOM 855 C PHE A 52 -22.006 20.531 -6.843 1.00 75.25 C ATOM 856 O PHE A 52 -22.520 20.847 -7.917 1.00 70.30 O ATOM 857 CB PHE A 52 -22.056 22.275 -5.050 1.00 54.03 C ATOM 858 CG PHE A 52 -22.810 23.473 -5.554 1.00 22.21 C ATOM 859 CD1 PHE A 52 -22.516 24.022 -6.792 1.00 11.45 C ATOM 860 CD2 PHE A 52 -23.812 24.049 -4.790 1.00 71.21 C ATOM 861 CE1 PHE A 52 -23.207 25.125 -7.257 1.00 34.02 C ATOM 862 CE2 PHE A 52 -24.507 25.151 -5.250 1.00 51.44 C ATOM 863 CZ PHE A 52 -24.205 25.689 -6.486 1.00 1.40 C ATOM 0 H PHE A 52 -21.545 19.968 -4.023 1.00 40.14 H new ATOM 0 HA PHE A 52 -23.716 21.059 -5.675 1.00 1.44 H new ATOM 0 HB2 PHE A 52 -22.045 22.294 -3.960 1.00 54.03 H new ATOM 0 HB3 PHE A 52 -21.019 22.343 -5.380 1.00 54.03 H new ATOM 0 HD1 PHE A 52 -21.739 23.583 -7.400 1.00 11.45 H new ATOM 0 HD2 PHE A 52 -24.053 23.632 -3.823 1.00 71.21 H new ATOM 0 HE1 PHE A 52 -22.967 25.546 -8.222 1.00 34.02 H new ATOM 0 HE2 PHE A 52 -25.285 25.591 -4.644 1.00 51.44 H new ATOM 0 HZ PHE A 52 -24.748 26.549 -6.849 1.00 1.40 H new ATOM 873 N TYR A 53 -20.885 19.825 -6.759 1.00 25.15 N ATOM 874 CA TYR A 53 -20.174 19.372 -7.949 1.00 14.22 C ATOM 875 C TYR A 53 -20.929 18.238 -8.635 1.00 31.40 C ATOM 876 O TYR A 53 -21.178 18.281 -9.841 1.00 11.45 O ATOM 877 CB TYR A 53 -18.763 18.912 -7.582 1.00 23.22 C ATOM 878 CG TYR A 53 -17.790 18.961 -8.738 1.00 61.13 C ATOM 879 CD1 TYR A 53 -17.978 18.168 -9.864 1.00 13.30 C ATOM 880 CD2 TYR A 53 -16.682 19.799 -8.705 1.00 72.21 C ATOM 881 CE1 TYR A 53 -17.092 18.209 -10.923 1.00 2.22 C ATOM 882 CE2 TYR A 53 -15.791 19.847 -9.760 1.00 14.32 C ATOM 883 CZ TYR A 53 -16.000 19.051 -10.866 1.00 74.42 C ATOM 884 OH TYR A 53 -15.115 19.095 -11.918 1.00 45.04 O ATOM 0 H TYR A 53 -20.448 19.553 -5.878 1.00 25.15 H new ATOM 0 HA TYR A 53 -20.106 20.211 -8.642 1.00 14.22 H new ATOM 0 HB2 TYR A 53 -18.385 19.537 -6.773 1.00 23.22 H new ATOM 0 HB3 TYR A 53 -18.810 17.892 -7.201 1.00 23.22 H new ATOM 0 HD1 TYR A 53 -18.832 17.508 -9.912 1.00 13.30 H new ATOM 0 HD2 TYR A 53 -16.514 20.423 -7.840 1.00 72.21 H new ATOM 0 HE1 TYR A 53 -17.253 17.586 -11.790 1.00 2.22 H new ATOM 0 HE2 TYR A 53 -14.935 20.505 -9.718 1.00 14.32 H new ATOM 0 HH TYR A 53 -14.403 19.739 -11.720 1.00 45.04 H new ATOM 894 N LEU A 54 -21.291 17.223 -7.858 1.00 74.55 N ATOM 895 CA LEU A 54 -22.019 16.075 -8.389 1.00 60.13 C ATOM 896 C LEU A 54 -23.382 16.496 -8.929 1.00 10.43 C ATOM 897 O LEU A 54 -23.926 15.862 -9.833 1.00 15.13 O ATOM 898 CB LEU A 54 -22.194 15.011 -7.304 1.00 60.24 C ATOM 899 CG LEU A 54 -23.403 15.183 -6.384 1.00 71.24 C ATOM 900 CD1 LEU A 54 -24.621 14.481 -6.966 1.00 44.31 C ATOM 901 CD2 LEU A 54 -23.094 14.652 -4.992 1.00 62.33 C ATOM 0 H LEU A 54 -21.093 17.171 -6.859 1.00 74.55 H new ATOM 0 HA LEU A 54 -21.438 15.656 -9.210 1.00 60.13 H new ATOM 0 HB2 LEU A 54 -22.266 14.037 -7.787 1.00 60.24 H new ATOM 0 HB3 LEU A 54 -21.294 14.996 -6.689 1.00 60.24 H new ATOM 0 HG LEU A 54 -23.626 16.247 -6.304 1.00 71.24 H new ATOM 0 HD11 LEU A 54 -25.472 14.614 -6.298 1.00 44.31 H new ATOM 0 HD12 LEU A 54 -24.855 14.908 -7.941 1.00 44.31 H new ATOM 0 HD13 LEU A 54 -24.410 13.417 -7.077 1.00 44.31 H new ATOM 0 HD21 LEU A 54 -23.966 14.783 -4.351 1.00 62.33 H new ATOM 0 HD22 LEU A 54 -22.845 13.593 -5.054 1.00 62.33 H new ATOM 0 HD23 LEU A 54 -22.250 15.200 -4.573 1.00 62.33 H new ATOM 913 N TYR A 55 -23.927 17.571 -8.370 1.00 2.30 N ATOM 914 CA TYR A 55 -25.226 18.078 -8.795 1.00 34.14 C ATOM 915 C TYR A 55 -25.111 18.837 -10.113 1.00 71.21 C ATOM 916 O TYR A 55 -25.846 18.568 -11.063 1.00 1.11 O ATOM 917 CB TYR A 55 -25.818 18.990 -7.719 1.00 33.34 C ATOM 918 CG TYR A 55 -27.264 19.358 -7.965 1.00 42.10 C ATOM 919 CD1 TYR A 55 -28.293 18.500 -7.597 1.00 4.10 C ATOM 920 CD2 TYR A 55 -27.601 20.565 -8.565 1.00 43.23 C ATOM 921 CE1 TYR A 55 -29.615 18.832 -7.821 1.00 44.41 C ATOM 922 CE2 TYR A 55 -28.920 20.907 -8.792 1.00 31.51 C ATOM 923 CZ TYR A 55 -29.923 20.037 -8.419 1.00 33.35 C ATOM 924 OH TYR A 55 -31.239 20.372 -8.642 1.00 40.02 O ATOM 0 H TYR A 55 -23.489 18.108 -7.621 1.00 2.30 H new ATOM 0 HA TYR A 55 -25.888 17.225 -8.945 1.00 34.14 H new ATOM 0 HB2 TYR A 55 -25.737 18.495 -6.751 1.00 33.34 H new ATOM 0 HB3 TYR A 55 -25.224 19.902 -7.661 1.00 33.34 H new ATOM 0 HD1 TYR A 55 -28.055 17.557 -7.128 1.00 4.10 H new ATOM 0 HD2 TYR A 55 -26.818 21.248 -8.859 1.00 43.23 H new ATOM 0 HE1 TYR A 55 -30.403 18.153 -7.530 1.00 44.41 H new ATOM 0 HE2 TYR A 55 -29.164 21.850 -9.259 1.00 31.51 H new ATOM 0 HH TYR A 55 -31.284 21.253 -9.069 1.00 40.02 H new ATOM 934 N MET A 56 -24.182 19.786 -10.162 1.00 72.05 N ATOM 935 CA MET A 56 -23.968 20.583 -11.365 1.00 12.44 C ATOM 936 C MET A 56 -23.603 19.694 -12.549 1.00 3.21 C ATOM 937 O MET A 56 -24.049 19.926 -13.673 1.00 50.13 O ATOM 938 CB MET A 56 -22.865 21.616 -11.128 1.00 3.25 C ATOM 939 CG MET A 56 -22.616 22.524 -12.321 1.00 1.42 C ATOM 940 SD MET A 56 -23.902 23.772 -12.524 1.00 4.11 S ATOM 941 CE MET A 56 -23.562 24.340 -14.189 1.00 35.25 C ATOM 0 H MET A 56 -23.566 20.022 -9.384 1.00 72.05 H new ATOM 0 HA MET A 56 -24.898 21.102 -11.597 1.00 12.44 H new ATOM 0 HB2 MET A 56 -23.131 22.228 -10.266 1.00 3.25 H new ATOM 0 HB3 MET A 56 -21.940 21.097 -10.878 1.00 3.25 H new ATOM 0 HG2 MET A 56 -21.652 23.018 -12.202 1.00 1.42 H new ATOM 0 HG3 MET A 56 -22.555 21.920 -13.226 1.00 1.42 H new ATOM 0 HE1 MET A 56 -23.580 25.430 -14.213 1.00 35.25 H new ATOM 0 HE2 MET A 56 -22.579 23.987 -14.500 1.00 35.25 H new ATOM 0 HE3 MET A 56 -24.320 23.950 -14.868 1.00 35.25 H new ATOM 951 N LEU A 57 -22.789 18.677 -12.290 1.00 22.21 N ATOM 952 CA LEU A 57 -22.363 17.753 -13.335 1.00 60.52 C ATOM 953 C LEU A 57 -23.562 17.045 -13.958 1.00 31.43 C ATOM 954 O LEU A 57 -23.695 16.985 -15.180 1.00 72.41 O ATOM 955 CB LEU A 57 -21.387 16.722 -12.765 1.00 71.41 C ATOM 956 CG LEU A 57 -20.920 15.633 -13.732 1.00 50.12 C ATOM 957 CD1 LEU A 57 -19.401 15.560 -13.760 1.00 72.12 C ATOM 958 CD2 LEU A 57 -21.514 14.286 -13.346 1.00 43.22 C ATOM 0 H LEU A 57 -22.411 18.471 -11.365 1.00 22.21 H new ATOM 0 HA LEU A 57 -21.861 18.329 -14.112 1.00 60.52 H new ATOM 0 HB2 LEU A 57 -20.509 17.250 -12.392 1.00 71.41 H new ATOM 0 HB3 LEU A 57 -21.858 16.241 -11.908 1.00 71.41 H new ATOM 0 HG LEU A 57 -21.269 15.888 -14.732 1.00 50.12 H new ATOM 0 HD11 LEU A 57 -19.087 14.780 -14.453 1.00 72.12 H new ATOM 0 HD12 LEU A 57 -18.997 16.519 -14.085 1.00 72.12 H new ATOM 0 HD13 LEU A 57 -19.029 15.329 -12.762 1.00 72.12 H new ATOM 0 HD21 LEU A 57 -21.171 13.523 -14.045 1.00 43.22 H new ATOM 0 HD22 LEU A 57 -21.195 14.023 -12.337 1.00 43.22 H new ATOM 0 HD23 LEU A 57 -22.602 14.345 -13.379 1.00 43.22 H new ATOM 970 N VAL A 58 -24.434 16.511 -13.108 1.00 55.22 N ATOM 971 CA VAL A 58 -25.625 15.810 -13.575 1.00 1.35 C ATOM 972 C VAL A 58 -26.528 16.737 -14.380 1.00 51.22 C ATOM 973 O VAL A 58 -26.957 16.397 -15.482 1.00 52.13 O ATOM 974 CB VAL A 58 -26.428 15.224 -12.398 1.00 62.12 C ATOM 975 CG1 VAL A 58 -27.688 14.536 -12.902 1.00 3.24 C ATOM 976 CG2 VAL A 58 -25.568 14.259 -11.595 1.00 53.04 C ATOM 0 H VAL A 58 -24.338 16.550 -12.093 1.00 55.22 H new ATOM 0 HA VAL A 58 -25.283 14.996 -14.214 1.00 1.35 H new ATOM 0 HB VAL A 58 -26.727 16.041 -11.741 1.00 62.12 H new ATOM 0 HG11 VAL A 58 -28.243 14.128 -12.057 1.00 3.24 H new ATOM 0 HG12 VAL A 58 -28.311 15.258 -13.430 1.00 3.24 H new ATOM 0 HG13 VAL A 58 -27.415 13.728 -13.581 1.00 3.24 H new ATOM 0 HG21 VAL A 58 -26.151 13.854 -10.768 1.00 53.04 H new ATOM 0 HG22 VAL A 58 -25.238 13.444 -12.239 1.00 53.04 H new ATOM 0 HG23 VAL A 58 -24.699 14.787 -11.203 1.00 53.04 H new ATOM 986 N GLN A 59 -26.812 17.910 -13.822 1.00 71.43 N ATOM 987 CA GLN A 59 -27.665 18.886 -14.490 1.00 30.04 C ATOM 988 C GLN A 59 -27.088 19.275 -15.847 1.00 14.02 C ATOM 989 O GLN A 59 -27.828 19.523 -16.800 1.00 3.44 O ATOM 990 CB GLN A 59 -27.830 20.131 -13.617 1.00 15.14 C ATOM 991 CG GLN A 59 -28.527 21.282 -14.324 1.00 41.24 C ATOM 992 CD GLN A 59 -29.165 22.261 -13.358 1.00 61.14 C ATOM 993 OE1 GLN A 59 -28.717 23.400 -13.225 1.00 14.33 O ATOM 994 NE2 GLN A 59 -30.217 21.821 -12.678 1.00 71.12 N ATOM 0 H GLN A 59 -26.464 18.207 -12.910 1.00 71.43 H new ATOM 0 HA GLN A 59 -28.642 18.429 -14.649 1.00 30.04 H new ATOM 0 HB2 GLN A 59 -28.398 19.866 -12.725 1.00 15.14 H new ATOM 0 HB3 GLN A 59 -26.847 20.463 -13.283 1.00 15.14 H new ATOM 0 HG2 GLN A 59 -27.806 21.811 -14.947 1.00 41.24 H new ATOM 0 HG3 GLN A 59 -29.292 20.884 -14.990 1.00 41.24 H new ATOM 0 HE21 GLN A 59 -30.554 20.869 -12.820 1.00 71.12 H new ATOM 0 HE22 GLN A 59 -30.688 22.435 -12.013 1.00 71.12 H new ATOM 1003 N LYS A 60 -25.763 19.327 -15.928 1.00 72.33 N ATOM 1004 CA LYS A 60 -25.086 19.685 -17.169 1.00 22.32 C ATOM 1005 C LYS A 60 -25.182 18.553 -18.187 1.00 54.45 C ATOM 1006 O LYS A 60 -25.279 18.795 -19.391 1.00 21.11 O ATOM 1007 CB LYS A 60 -23.617 20.015 -16.895 1.00 23.41 C ATOM 1008 CG LYS A 60 -23.350 21.499 -16.714 1.00 32.24 C ATOM 1009 CD LYS A 60 -23.469 22.251 -18.028 1.00 55.43 C ATOM 1010 CE LYS A 60 -22.693 23.559 -17.994 1.00 71.14 C ATOM 1011 NZ LYS A 60 -22.482 24.114 -19.360 1.00 24.00 N ATOM 0 H LYS A 60 -25.136 19.126 -15.149 1.00 72.33 H new ATOM 0 HA LYS A 60 -25.579 20.565 -17.582 1.00 22.32 H new ATOM 0 HB2 LYS A 60 -23.295 19.485 -15.999 1.00 23.41 H new ATOM 0 HB3 LYS A 60 -23.010 19.643 -17.720 1.00 23.41 H new ATOM 0 HG2 LYS A 60 -24.056 21.911 -15.993 1.00 32.24 H new ATOM 0 HG3 LYS A 60 -22.352 21.642 -16.301 1.00 32.24 H new ATOM 0 HD2 LYS A 60 -23.097 21.627 -18.841 1.00 55.43 H new ATOM 0 HD3 LYS A 60 -24.519 22.455 -18.238 1.00 55.43 H new ATOM 0 HE2 LYS A 60 -23.232 24.286 -17.386 1.00 71.14 H new ATOM 0 HE3 LYS A 60 -21.728 23.396 -17.515 1.00 71.14 H new ATOM 0 HZ1 LYS A 60 -21.950 25.005 -19.294 1.00 24.00 H new ATOM 0 HZ2 LYS A 60 -21.946 23.432 -19.933 1.00 24.00 H new ATOM 0 HZ3 LYS A 60 -23.403 24.293 -19.808 1.00 24.00 H new ATOM 1025 N PHE A 61 -25.157 17.318 -17.698 1.00 12.45 N ATOM 1026 CA PHE A 61 -25.243 16.150 -18.566 1.00 25.34 C ATOM 1027 C PHE A 61 -26.672 15.939 -19.055 1.00 53.12 C ATOM 1028 O PHE A 61 -26.926 15.106 -19.924 1.00 33.33 O ATOM 1029 CB PHE A 61 -24.756 14.902 -17.826 1.00 22.03 C ATOM 1030 CG PHE A 61 -23.393 14.442 -18.258 1.00 4.52 C ATOM 1031 CD1 PHE A 61 -23.139 14.135 -19.585 1.00 32.53 C ATOM 1032 CD2 PHE A 61 -22.365 14.319 -17.337 1.00 45.11 C ATOM 1033 CE1 PHE A 61 -21.886 13.711 -19.985 1.00 21.34 C ATOM 1034 CE2 PHE A 61 -21.109 13.896 -17.731 1.00 40.23 C ATOM 1035 CZ PHE A 61 -20.869 13.593 -19.057 1.00 73.41 C ATOM 0 H PHE A 61 -25.078 17.100 -16.705 1.00 12.45 H new ATOM 0 HA PHE A 61 -24.604 16.324 -19.432 1.00 25.34 H new ATOM 0 HB2 PHE A 61 -24.739 15.108 -16.756 1.00 22.03 H new ATOM 0 HB3 PHE A 61 -25.470 14.094 -17.984 1.00 22.03 H new ATOM 0 HD1 PHE A 61 -23.929 14.228 -20.315 1.00 32.53 H new ATOM 0 HD2 PHE A 61 -22.547 14.556 -16.299 1.00 45.11 H new ATOM 0 HE1 PHE A 61 -21.702 13.472 -21.022 1.00 21.34 H new ATOM 0 HE2 PHE A 61 -20.317 13.803 -17.003 1.00 40.23 H new ATOM 0 HZ PHE A 61 -19.888 13.264 -19.368 1.00 73.41 H new ATOM 1045 N GLY A 62 -27.604 16.702 -18.490 1.00 24.51 N ATOM 1046 CA GLY A 62 -28.996 16.583 -18.880 1.00 53.42 C ATOM 1047 C GLY A 62 -29.809 15.771 -17.891 1.00 64.03 C ATOM 1048 O GLY A 62 -30.877 15.262 -18.226 1.00 34.55 O ATOM 0 H GLY A 62 -27.419 17.400 -17.769 1.00 24.51 H new ATOM 0 HA2 GLY A 62 -29.431 17.578 -18.972 1.00 53.42 H new ATOM 0 HA3 GLY A 62 -29.056 16.117 -19.864 1.00 53.42 H new ATOM 1052 N GLY A 63 -29.300 15.648 -16.669 1.00 44.01 N ATOM 1053 CA GLY A 63 -29.997 14.889 -15.648 1.00 34.11 C ATOM 1054 C GLY A 63 -29.625 13.420 -15.661 1.00 64.33 C ATOM 1055 O GLY A 63 -29.167 12.898 -16.677 1.00 62.04 O ATOM 0 H GLY A 63 -28.417 16.061 -16.368 1.00 44.01 H new ATOM 0 HA2 GLY A 63 -29.769 15.309 -14.668 1.00 34.11 H new ATOM 0 HA3 GLY A 63 -31.072 14.989 -15.796 1.00 34.11 H new ATOM 1059 N ALA A 64 -29.819 12.751 -14.529 1.00 52.14 N ATOM 1060 CA ALA A 64 -29.501 11.333 -14.415 1.00 44.32 C ATOM 1061 C ALA A 64 -30.135 10.535 -15.549 1.00 34.13 C ATOM 1062 O ALA A 64 -29.583 9.531 -15.999 1.00 1.02 O ATOM 1063 CB ALA A 64 -29.959 10.796 -13.067 1.00 51.25 C ATOM 0 H ALA A 64 -30.195 13.169 -13.678 1.00 52.14 H new ATOM 0 HA ALA A 64 -28.419 11.221 -14.489 1.00 44.32 H new ATOM 0 HB1 ALA A 64 -29.715 9.736 -12.996 1.00 51.25 H new ATOM 0 HB2 ALA A 64 -29.454 11.339 -12.268 1.00 51.25 H new ATOM 0 HB3 ALA A 64 -31.037 10.928 -12.970 1.00 51.25 H new ATOM 1069 N ASP A 65 -31.298 10.987 -16.005 1.00 72.31 N ATOM 1070 CA ASP A 65 -32.008 10.314 -17.087 1.00 13.21 C ATOM 1071 C ASP A 65 -31.187 10.336 -18.372 1.00 41.12 C ATOM 1072 O ASP A 65 -31.189 9.372 -19.137 1.00 22.10 O ATOM 1073 CB ASP A 65 -33.366 10.977 -17.324 1.00 34.25 C ATOM 1074 CG ASP A 65 -34.320 10.774 -16.162 1.00 44.22 C ATOM 1075 OD1 ASP A 65 -34.984 9.718 -16.118 1.00 23.23 O ATOM 1076 OD2 ASP A 65 -34.402 11.672 -15.298 1.00 51.42 O ATOM 0 H ASP A 65 -31.769 11.816 -15.643 1.00 72.31 H new ATOM 0 HA ASP A 65 -32.165 9.276 -16.795 1.00 13.21 H new ATOM 0 HB2 ASP A 65 -33.222 12.045 -17.490 1.00 34.25 H new ATOM 0 HB3 ASP A 65 -33.812 10.571 -18.232 1.00 34.25 H new ATOM 1081 N GLN A 66 -30.487 11.443 -18.603 1.00 35.53 N ATOM 1082 CA GLN A 66 -29.663 11.590 -19.797 1.00 33.15 C ATOM 1083 C GLN A 66 -28.456 10.660 -19.742 1.00 44.05 C ATOM 1084 O GLN A 66 -28.042 10.103 -20.759 1.00 42.25 O ATOM 1085 CB GLN A 66 -29.199 13.040 -19.946 1.00 33.22 C ATOM 1086 CG GLN A 66 -28.768 13.398 -21.359 1.00 11.12 C ATOM 1087 CD GLN A 66 -29.404 14.682 -21.855 1.00 60.32 C ATOM 1088 OE1 GLN A 66 -30.600 14.908 -21.669 1.00 0.11 O ATOM 1089 NE2 GLN A 66 -28.605 15.531 -22.491 1.00 75.23 N ATOM 0 H GLN A 66 -30.474 12.250 -17.979 1.00 35.53 H new ATOM 0 HA GLN A 66 -30.268 11.319 -20.662 1.00 33.15 H new ATOM 0 HB2 GLN A 66 -30.008 13.705 -19.642 1.00 33.22 H new ATOM 0 HB3 GLN A 66 -28.367 13.218 -19.265 1.00 33.22 H new ATOM 0 HG2 GLN A 66 -27.683 13.499 -21.389 1.00 11.12 H new ATOM 0 HG3 GLN A 66 -29.031 12.583 -22.033 1.00 11.12 H new ATOM 0 HE21 GLN A 66 -27.620 15.303 -22.623 1.00 75.23 H new ATOM 0 HE22 GLN A 66 -28.977 16.411 -22.848 1.00 75.23 H new ATOM 1098 N VAL A 67 -27.894 10.497 -18.549 1.00 23.40 N ATOM 1099 CA VAL A 67 -26.734 9.634 -18.362 1.00 25.41 C ATOM 1100 C VAL A 67 -27.094 8.170 -18.592 1.00 53.30 C ATOM 1101 O VAL A 67 -26.293 7.396 -19.117 1.00 53.45 O ATOM 1102 CB VAL A 67 -26.141 9.789 -16.949 1.00 24.42 C ATOM 1103 CG1 VAL A 67 -24.824 9.035 -16.836 1.00 72.02 C ATOM 1104 CG2 VAL A 67 -25.953 11.259 -16.609 1.00 12.44 C ATOM 0 H VAL A 67 -28.223 10.951 -17.697 1.00 23.40 H new ATOM 0 HA VAL A 67 -25.990 9.942 -19.097 1.00 25.41 H new ATOM 0 HB VAL A 67 -26.840 9.360 -16.232 1.00 24.42 H new ATOM 0 HG11 VAL A 67 -24.420 9.156 -15.831 1.00 72.02 H new ATOM 0 HG12 VAL A 67 -24.993 7.976 -17.034 1.00 72.02 H new ATOM 0 HG13 VAL A 67 -24.114 9.431 -17.562 1.00 72.02 H new ATOM 0 HG21 VAL A 67 -25.533 11.350 -15.607 1.00 12.44 H new ATOM 0 HG22 VAL A 67 -25.274 11.715 -17.330 1.00 12.44 H new ATOM 0 HG23 VAL A 67 -26.917 11.767 -16.646 1.00 12.44 H new ATOM 1114 N THR A 68 -28.307 7.796 -18.195 1.00 62.14 N ATOM 1115 CA THR A 68 -28.775 6.425 -18.357 1.00 44.25 C ATOM 1116 C THR A 68 -29.364 6.206 -19.746 1.00 15.11 C ATOM 1117 O THR A 68 -29.342 5.093 -20.272 1.00 11.14 O ATOM 1118 CB THR A 68 -29.834 6.064 -17.299 1.00 51.32 C ATOM 1119 OG1 THR A 68 -30.232 4.697 -17.451 1.00 11.22 O ATOM 1120 CG2 THR A 68 -31.051 6.969 -17.422 1.00 31.34 C ATOM 0 H THR A 68 -28.983 8.424 -17.759 1.00 62.14 H new ATOM 0 HA THR A 68 -27.908 5.777 -18.227 1.00 44.25 H new ATOM 0 HB THR A 68 -29.394 6.206 -16.312 1.00 51.32 H new ATOM 0 HG1 THR A 68 -30.904 4.475 -16.774 1.00 11.22 H new ATOM 0 HG21 THR A 68 -31.786 6.696 -16.665 1.00 31.34 H new ATOM 0 HG22 THR A 68 -30.749 8.006 -17.277 1.00 31.34 H new ATOM 0 HG23 THR A 68 -31.491 6.854 -18.413 1.00 31.34 H new ATOM 1128 N ARG A 69 -29.891 7.274 -20.335 1.00 52.43 N ATOM 1129 CA ARG A 69 -30.488 7.198 -21.663 1.00 43.04 C ATOM 1130 C ARG A 69 -29.472 6.701 -22.688 1.00 2.40 C ATOM 1131 O ARG A 69 -29.784 5.859 -23.531 1.00 2.42 O ATOM 1132 CB ARG A 69 -31.025 8.567 -22.084 1.00 43.32 C ATOM 1133 CG ARG A 69 -31.750 8.553 -23.420 1.00 31.13 C ATOM 1134 CD ARG A 69 -31.453 9.806 -24.229 1.00 25.41 C ATOM 1135 NE ARG A 69 -31.365 9.525 -25.659 1.00 52.25 N ATOM 1136 CZ ARG A 69 -31.034 10.436 -26.568 1.00 10.00 C ATOM 1137 NH1 ARG A 69 -30.760 11.679 -26.196 1.00 71.13 N ATOM 1138 NH2 ARG A 69 -30.976 10.104 -27.851 1.00 41.14 N ATOM 0 H ARG A 69 -29.917 8.203 -19.914 1.00 52.43 H new ATOM 0 HA ARG A 69 -31.314 6.489 -21.622 1.00 43.04 H new ATOM 0 HB2 ARG A 69 -31.705 8.933 -21.315 1.00 43.32 H new ATOM 0 HB3 ARG A 69 -30.196 9.272 -22.138 1.00 43.32 H new ATOM 0 HG2 ARG A 69 -31.451 7.672 -23.988 1.00 31.13 H new ATOM 0 HG3 ARG A 69 -32.824 8.474 -23.251 1.00 31.13 H new ATOM 0 HD2 ARG A 69 -32.234 10.545 -24.052 1.00 25.41 H new ATOM 0 HD3 ARG A 69 -30.515 10.245 -23.887 1.00 25.41 H new ATOM 0 HE ARG A 69 -31.569 8.578 -25.978 1.00 52.25 H new ATOM 0 HH11 ARG A 69 -30.803 11.938 -25.210 1.00 71.13 H new ATOM 0 HH12 ARG A 69 -30.506 12.377 -26.896 1.00 71.13 H new ATOM 0 HH21 ARG A 69 -31.186 9.149 -28.141 1.00 41.14 H new ATOM 0 HH22 ARG A 69 -30.722 10.804 -28.548 1.00 41.14 H new ATOM 1152 N THR A 70 -28.254 7.229 -22.610 1.00 40.01 N ATOM 1153 CA THR A 70 -27.193 6.841 -23.531 1.00 2.33 C ATOM 1154 C THR A 70 -26.321 5.742 -22.934 1.00 14.13 C ATOM 1155 O THR A 70 -25.387 5.262 -23.575 1.00 53.00 O ATOM 1156 CB THR A 70 -26.302 8.043 -23.900 1.00 34.13 C ATOM 1157 OG1 THR A 70 -25.792 8.658 -22.711 1.00 54.05 O ATOM 1158 CG2 THR A 70 -27.083 9.066 -24.711 1.00 70.34 C ATOM 0 H THR A 70 -27.978 7.926 -21.918 1.00 40.01 H new ATOM 0 HA THR A 70 -27.678 6.467 -24.432 1.00 2.33 H new ATOM 0 HB THR A 70 -25.472 7.680 -24.505 1.00 34.13 H new ATOM 0 HG1 THR A 70 -25.226 9.420 -22.954 1.00 54.05 H new ATOM 0 HG21 THR A 70 -26.434 9.905 -24.960 1.00 70.34 H new ATOM 0 HG22 THR A 70 -27.445 8.603 -25.629 1.00 70.34 H new ATOM 0 HG23 THR A 70 -27.930 9.424 -24.126 1.00 70.34 H new ATOM 1166 N GLN A 71 -26.634 5.348 -21.703 1.00 50.24 N ATOM 1167 CA GLN A 71 -25.878 4.305 -21.021 1.00 32.32 C ATOM 1168 C GLN A 71 -24.422 4.719 -20.838 1.00 63.41 C ATOM 1169 O GLN A 71 -23.507 3.960 -21.157 1.00 70.24 O ATOM 1170 CB GLN A 71 -25.954 2.994 -21.806 1.00 43.21 C ATOM 1171 CG GLN A 71 -25.621 1.766 -20.974 1.00 44.31 C ATOM 1172 CD GLN A 71 -26.081 0.477 -21.626 1.00 43.30 C ATOM 1173 OE1 GLN A 71 -25.267 -0.319 -22.096 1.00 55.45 O ATOM 1174 NE2 GLN A 71 -27.391 0.264 -21.657 1.00 40.21 N ATOM 0 H GLN A 71 -27.405 5.735 -21.159 1.00 50.24 H new ATOM 0 HA GLN A 71 -26.320 4.156 -20.036 1.00 32.32 H new ATOM 0 HB2 GLN A 71 -26.958 2.883 -22.216 1.00 43.21 H new ATOM 0 HB3 GLN A 71 -25.268 3.046 -22.652 1.00 43.21 H new ATOM 0 HG2 GLN A 71 -24.544 1.723 -20.812 1.00 44.31 H new ATOM 0 HG3 GLN A 71 -26.087 1.859 -19.993 1.00 44.31 H new ATOM 0 HE21 GLN A 71 -28.029 0.951 -21.255 1.00 40.21 H new ATOM 0 HE22 GLN A 71 -27.759 -0.587 -22.082 1.00 40.21 H new ATOM 1183 N GLN A 72 -24.215 5.926 -20.323 1.00 40.30 N ATOM 1184 CA GLN A 72 -22.869 6.441 -20.099 1.00 71.43 C ATOM 1185 C GLN A 72 -22.561 6.530 -18.608 1.00 55.22 C ATOM 1186 O GLN A 72 -21.484 6.974 -18.213 1.00 3.53 O ATOM 1187 CB GLN A 72 -22.712 7.817 -20.748 1.00 62.11 C ATOM 1188 CG GLN A 72 -21.284 8.136 -21.159 1.00 44.13 C ATOM 1189 CD GLN A 72 -21.214 9.103 -22.324 1.00 40.44 C ATOM 1190 OE1 GLN A 72 -21.937 8.959 -23.310 1.00 73.24 O ATOM 1191 NE2 GLN A 72 -20.341 10.098 -22.217 1.00 63.02 N ATOM 0 H GLN A 72 -24.962 6.566 -20.053 1.00 40.30 H new ATOM 0 HA GLN A 72 -22.162 5.749 -20.556 1.00 71.43 H new ATOM 0 HB2 GLN A 72 -23.355 7.871 -21.627 1.00 62.11 H new ATOM 0 HB3 GLN A 72 -23.060 8.580 -20.052 1.00 62.11 H new ATOM 0 HG2 GLN A 72 -20.751 8.560 -20.308 1.00 44.13 H new ATOM 0 HG3 GLN A 72 -20.772 7.212 -21.428 1.00 44.13 H new ATOM 0 HE21 GLN A 72 -19.761 10.180 -21.382 1.00 63.02 H new ATOM 0 HE22 GLN A 72 -20.250 10.780 -22.970 1.00 63.02 H new ATOM 1200 N TRP A 73 -23.515 6.106 -17.786 1.00 44.24 N ATOM 1201 CA TRP A 73 -23.345 6.139 -16.338 1.00 50.21 C ATOM 1202 C TRP A 73 -22.124 5.330 -15.914 1.00 75.33 C ATOM 1203 O TRP A 73 -21.413 5.704 -14.982 1.00 42.34 O ATOM 1204 CB TRP A 73 -24.597 5.598 -15.645 1.00 42.40 C ATOM 1205 CG TRP A 73 -24.431 5.433 -14.165 1.00 15.04 C ATOM 1206 CD1 TRP A 73 -24.738 4.327 -13.424 1.00 53.21 C ATOM 1207 CD2 TRP A 73 -23.922 6.405 -13.245 1.00 41.23 C ATOM 1208 NE1 TRP A 73 -24.450 4.553 -12.100 1.00 11.52 N ATOM 1209 CE2 TRP A 73 -23.947 5.820 -11.964 1.00 52.40 C ATOM 1210 CE3 TRP A 73 -23.445 7.712 -13.380 1.00 23.31 C ATOM 1211 CZ2 TRP A 73 -23.515 6.499 -10.828 1.00 21.03 C ATOM 1212 CZ3 TRP A 73 -23.016 8.384 -12.251 1.00 73.11 C ATOM 1213 CH2 TRP A 73 -23.053 7.777 -10.989 1.00 22.13 C ATOM 0 H TRP A 73 -24.413 5.736 -18.097 1.00 44.24 H new ATOM 0 HA TRP A 73 -23.192 7.176 -16.039 1.00 50.21 H new ATOM 0 HB2 TRP A 73 -25.431 6.274 -15.837 1.00 42.40 H new ATOM 0 HB3 TRP A 73 -24.859 4.635 -16.084 1.00 42.40 H new ATOM 0 HD1 TRP A 73 -25.147 3.410 -13.821 1.00 53.21 H new ATOM 0 HE1 TRP A 73 -24.588 3.886 -11.341 1.00 11.52 H new ATOM 0 HE3 TRP A 73 -23.412 8.188 -14.349 1.00 23.31 H new ATOM 0 HZ2 TRP A 73 -23.543 6.033 -9.854 1.00 21.03 H new ATOM 0 HZ3 TRP A 73 -22.646 9.394 -12.343 1.00 73.11 H new ATOM 0 HH2 TRP A 73 -22.710 8.329 -10.126 1.00 22.13 H new ATOM 1224 N SER A 74 -21.888 4.219 -16.604 1.00 62.42 N ATOM 1225 CA SER A 74 -20.754 3.354 -16.296 1.00 54.32 C ATOM 1226 C SER A 74 -19.435 4.084 -16.532 1.00 33.33 C ATOM 1227 O SER A 74 -18.516 4.004 -15.718 1.00 65.40 O ATOM 1228 CB SER A 74 -20.808 2.085 -17.149 1.00 25.15 C ATOM 1229 OG SER A 74 -19.508 1.681 -17.544 1.00 1.33 O ATOM 0 H SER A 74 -22.466 3.896 -17.380 1.00 62.42 H new ATOM 0 HA SER A 74 -20.813 3.078 -15.243 1.00 54.32 H new ATOM 0 HB2 SER A 74 -21.286 1.284 -16.585 1.00 25.15 H new ATOM 0 HB3 SER A 74 -21.421 2.263 -18.032 1.00 25.15 H new ATOM 0 HG SER A 74 -19.569 0.867 -18.087 1.00 1.33 H new ATOM 1235 N MET A 75 -19.351 4.795 -17.651 1.00 54.11 N ATOM 1236 CA MET A 75 -18.146 5.540 -17.994 1.00 44.21 C ATOM 1237 C MET A 75 -17.994 6.769 -17.103 1.00 52.23 C ATOM 1238 O MET A 75 -16.919 7.028 -16.563 1.00 22.22 O ATOM 1239 CB MET A 75 -18.182 5.963 -19.464 1.00 32.30 C ATOM 1240 CG MET A 75 -16.808 6.243 -20.050 1.00 41.20 C ATOM 1241 SD MET A 75 -16.635 7.940 -20.634 1.00 52.23 S ATOM 1242 CE MET A 75 -16.859 7.716 -22.397 1.00 74.11 C ATOM 0 H MET A 75 -20.103 4.871 -18.336 1.00 54.11 H new ATOM 0 HA MET A 75 -17.288 4.887 -17.832 1.00 44.21 H new ATOM 0 HB2 MET A 75 -18.664 5.178 -20.048 1.00 32.30 H new ATOM 0 HB3 MET A 75 -18.798 6.857 -19.561 1.00 32.30 H new ATOM 0 HG2 MET A 75 -16.048 6.043 -19.295 1.00 41.20 H new ATOM 0 HG3 MET A 75 -16.623 5.558 -20.877 1.00 41.20 H new ATOM 0 HE1 MET A 75 -16.779 8.680 -22.899 1.00 74.11 H new ATOM 0 HE2 MET A 75 -16.091 7.043 -22.779 1.00 74.11 H new ATOM 0 HE3 MET A 75 -17.843 7.288 -22.587 1.00 74.11 H new ATOM 1252 N VAL A 76 -19.078 7.524 -16.955 1.00 12.14 N ATOM 1253 CA VAL A 76 -19.066 8.726 -16.129 1.00 22.53 C ATOM 1254 C VAL A 76 -18.736 8.392 -14.678 1.00 62.22 C ATOM 1255 O VAL A 76 -17.890 9.037 -14.059 1.00 71.22 O ATOM 1256 CB VAL A 76 -20.421 9.456 -16.180 1.00 44.34 C ATOM 1257 CG1 VAL A 76 -20.388 10.705 -15.313 1.00 5.05 C ATOM 1258 CG2 VAL A 76 -20.783 9.804 -17.616 1.00 52.42 C ATOM 0 H VAL A 76 -19.976 7.325 -17.396 1.00 12.14 H new ATOM 0 HA VAL A 76 -18.294 9.380 -16.534 1.00 22.53 H new ATOM 0 HB VAL A 76 -21.188 8.790 -15.786 1.00 44.34 H new ATOM 0 HG11 VAL A 76 -21.354 11.207 -15.362 1.00 5.05 H new ATOM 0 HG12 VAL A 76 -20.176 10.426 -14.281 1.00 5.05 H new ATOM 0 HG13 VAL A 76 -19.610 11.378 -15.674 1.00 5.05 H new ATOM 0 HG21 VAL A 76 -21.743 10.319 -17.634 1.00 52.42 H new ATOM 0 HG22 VAL A 76 -20.015 10.452 -18.038 1.00 52.42 H new ATOM 0 HG23 VAL A 76 -20.850 8.890 -18.206 1.00 52.42 H new ATOM 1268 N ALA A 77 -19.409 7.379 -14.142 1.00 11.42 N ATOM 1269 CA ALA A 77 -19.186 6.958 -12.764 1.00 62.25 C ATOM 1270 C ALA A 77 -17.715 6.635 -12.521 1.00 14.44 C ATOM 1271 O ALA A 77 -17.175 6.929 -11.455 1.00 14.35 O ATOM 1272 CB ALA A 77 -20.054 5.753 -12.434 1.00 31.11 C ATOM 0 H ALA A 77 -20.113 6.835 -14.641 1.00 11.42 H new ATOM 0 HA ALA A 77 -19.464 7.783 -12.108 1.00 62.25 H new ATOM 0 HB1 ALA A 77 -19.878 5.449 -11.402 1.00 31.11 H new ATOM 0 HB2 ALA A 77 -21.104 6.016 -12.560 1.00 31.11 H new ATOM 0 HB3 ALA A 77 -19.803 4.930 -13.103 1.00 31.11 H new ATOM 1278 N GLN A 78 -17.074 6.030 -13.515 1.00 34.52 N ATOM 1279 CA GLN A 78 -15.666 5.666 -13.406 1.00 54.32 C ATOM 1280 C GLN A 78 -14.794 6.908 -13.258 1.00 43.34 C ATOM 1281 O GLN A 78 -13.758 6.875 -12.594 1.00 1.41 O ATOM 1282 CB GLN A 78 -15.229 4.864 -14.633 1.00 1.11 C ATOM 1283 CG GLN A 78 -15.014 3.386 -14.348 1.00 42.44 C ATOM 1284 CD GLN A 78 -15.444 2.501 -15.502 1.00 2.43 C ATOM 1285 OE1 GLN A 78 -16.597 2.075 -15.576 1.00 42.40 O ATOM 1286 NE2 GLN A 78 -14.517 2.220 -16.410 1.00 22.32 N ATOM 0 H GLN A 78 -17.507 5.781 -14.405 1.00 34.52 H new ATOM 0 HA GLN A 78 -15.543 5.050 -12.516 1.00 54.32 H new ATOM 0 HB2 GLN A 78 -15.983 4.969 -15.413 1.00 1.11 H new ATOM 0 HB3 GLN A 78 -14.304 5.289 -15.024 1.00 1.11 H new ATOM 0 HG2 GLN A 78 -13.960 3.211 -14.134 1.00 42.44 H new ATOM 0 HG3 GLN A 78 -15.572 3.107 -13.454 1.00 42.44 H new ATOM 0 HE21 GLN A 78 -13.574 2.595 -16.309 1.00 22.32 H new ATOM 0 HE22 GLN A 78 -14.748 1.629 -17.209 1.00 22.32 H new ATOM 1295 N ARG A 79 -15.219 8.002 -13.882 1.00 70.03 N ATOM 1296 CA ARG A 79 -14.475 9.254 -13.821 1.00 52.43 C ATOM 1297 C ARG A 79 -14.303 9.715 -12.377 1.00 22.53 C ATOM 1298 O ARG A 79 -13.223 10.154 -11.978 1.00 72.13 O ATOM 1299 CB ARG A 79 -15.191 10.337 -14.631 1.00 10.33 C ATOM 1300 CG ARG A 79 -14.271 11.109 -15.563 1.00 73.42 C ATOM 1301 CD ARG A 79 -14.242 10.492 -16.953 1.00 31.32 C ATOM 1302 NE ARG A 79 -14.004 9.052 -16.907 1.00 60.53 N ATOM 1303 CZ ARG A 79 -12.801 8.510 -16.750 1.00 52.11 C ATOM 1304 NH1 ARG A 79 -11.733 9.285 -16.624 1.00 10.34 N ATOM 1305 NH2 ARG A 79 -12.665 7.191 -16.719 1.00 32.42 N ATOM 0 H ARG A 79 -16.075 8.046 -14.435 1.00 70.03 H new ATOM 0 HA ARG A 79 -13.488 9.082 -14.249 1.00 52.43 H new ATOM 0 HB2 ARG A 79 -15.984 9.875 -15.218 1.00 10.33 H new ATOM 0 HB3 ARG A 79 -15.669 11.036 -13.945 1.00 10.33 H new ATOM 0 HG2 ARG A 79 -14.605 12.145 -15.630 1.00 73.42 H new ATOM 0 HG3 ARG A 79 -13.263 11.125 -15.150 1.00 73.42 H new ATOM 0 HD2 ARG A 79 -15.189 10.687 -17.456 1.00 31.32 H new ATOM 0 HD3 ARG A 79 -13.462 10.970 -17.546 1.00 31.32 H new ATOM 0 HE ARG A 79 -14.805 8.428 -17.001 1.00 60.53 H new ATOM 0 HH11 ARG A 79 -11.834 10.300 -16.647 1.00 10.34 H new ATOM 0 HH12 ARG A 79 -10.811 8.867 -16.504 1.00 10.34 H new ATOM 0 HH21 ARG A 79 -13.484 6.591 -16.816 1.00 32.42 H new ATOM 0 HH22 ARG A 79 -11.741 6.776 -16.598 1.00 32.42 H new ATOM 1319 N LEU A 80 -15.373 9.611 -11.597 1.00 12.32 N ATOM 1320 CA LEU A 80 -15.341 10.017 -10.196 1.00 12.11 C ATOM 1321 C LEU A 80 -15.111 8.815 -9.286 1.00 32.12 C ATOM 1322 O LEU A 80 -14.986 8.960 -8.070 1.00 44.43 O ATOM 1323 CB LEU A 80 -16.648 10.715 -9.817 1.00 13.52 C ATOM 1324 CG LEU A 80 -17.932 10.057 -10.322 1.00 73.31 C ATOM 1325 CD1 LEU A 80 -19.063 10.258 -9.325 1.00 73.54 C ATOM 1326 CD2 LEU A 80 -18.316 10.612 -11.686 1.00 2.41 C ATOM 0 H LEU A 80 -16.274 9.249 -11.911 1.00 12.32 H new ATOM 0 HA LEU A 80 -14.513 10.713 -10.064 1.00 12.11 H new ATOM 0 HB2 LEU A 80 -16.700 10.780 -8.730 1.00 13.52 H new ATOM 0 HB3 LEU A 80 -16.614 11.737 -10.196 1.00 13.52 H new ATOM 0 HG LEU A 80 -17.752 8.987 -10.425 1.00 73.31 H new ATOM 0 HD11 LEU A 80 -19.969 9.783 -9.702 1.00 73.54 H new ATOM 0 HD12 LEU A 80 -18.789 9.811 -8.369 1.00 73.54 H new ATOM 0 HD13 LEU A 80 -19.243 11.324 -9.189 1.00 73.54 H new ATOM 0 HD21 LEU A 80 -19.232 10.132 -12.029 1.00 2.41 H new ATOM 0 HD22 LEU A 80 -18.477 11.687 -11.609 1.00 2.41 H new ATOM 0 HD23 LEU A 80 -17.514 10.415 -12.398 1.00 2.41 H new ATOM 1338 N GLN A 81 -15.055 7.629 -9.883 1.00 52.03 N ATOM 1339 CA GLN A 81 -14.838 6.402 -9.126 1.00 15.01 C ATOM 1340 C GLN A 81 -15.993 6.146 -8.163 1.00 20.31 C ATOM 1341 O GLN A 81 -15.779 5.875 -6.981 1.00 32.22 O ATOM 1342 CB GLN A 81 -13.521 6.481 -8.352 1.00 53.22 C ATOM 1343 CG GLN A 81 -13.076 5.149 -7.771 1.00 13.14 C ATOM 1344 CD GLN A 81 -12.010 4.473 -8.610 1.00 2.14 C ATOM 1345 OE1 GLN A 81 -11.016 3.971 -8.084 1.00 70.30 O ATOM 1346 NE2 GLN A 81 -12.211 4.457 -9.922 1.00 62.21 N ATOM 0 H GLN A 81 -15.157 7.492 -10.889 1.00 52.03 H new ATOM 0 HA GLN A 81 -14.787 5.573 -9.832 1.00 15.01 H new ATOM 0 HB2 GLN A 81 -12.742 6.857 -9.015 1.00 53.22 H new ATOM 0 HB3 GLN A 81 -13.628 7.203 -7.543 1.00 53.22 H new ATOM 0 HG2 GLN A 81 -12.693 5.307 -6.763 1.00 13.14 H new ATOM 0 HG3 GLN A 81 -13.939 4.488 -7.685 1.00 13.14 H new ATOM 0 HE21 GLN A 81 -13.049 4.885 -10.315 1.00 62.21 H new ATOM 0 HE22 GLN A 81 -11.527 4.016 -10.537 1.00 62.21 H new ATOM 1355 N ILE A 82 -17.215 6.233 -8.676 1.00 15.30 N ATOM 1356 CA ILE A 82 -18.403 6.010 -7.861 1.00 52.01 C ATOM 1357 C ILE A 82 -19.020 4.646 -8.151 1.00 54.12 C ATOM 1358 O ILE A 82 -19.711 4.074 -7.308 1.00 54.12 O ATOM 1359 CB ILE A 82 -19.463 7.102 -8.100 1.00 20.24 C ATOM 1360 CG1 ILE A 82 -20.630 6.932 -7.125 1.00 72.21 C ATOM 1361 CG2 ILE A 82 -19.956 7.056 -9.538 1.00 41.12 C ATOM 1362 CD1 ILE A 82 -21.407 8.207 -6.884 1.00 42.21 C ATOM 0 H ILE A 82 -17.409 6.456 -9.652 1.00 15.30 H new ATOM 0 HA ILE A 82 -18.083 6.048 -6.820 1.00 52.01 H new ATOM 0 HB ILE A 82 -19.006 8.076 -7.925 1.00 20.24 H new ATOM 0 HG12 ILE A 82 -21.308 6.171 -7.511 1.00 72.21 H new ATOM 0 HG13 ILE A 82 -20.247 6.564 -6.173 1.00 72.21 H new ATOM 0 HG21 ILE A 82 -20.704 7.834 -9.691 1.00 41.12 H new ATOM 0 HG22 ILE A 82 -19.118 7.221 -10.215 1.00 41.12 H new ATOM 0 HG23 ILE A 82 -20.399 6.081 -9.740 1.00 41.12 H new ATOM 0 HD11 ILE A 82 -22.219 8.012 -6.183 1.00 42.21 H new ATOM 0 HD12 ILE A 82 -20.743 8.965 -6.468 1.00 42.21 H new ATOM 0 HD13 ILE A 82 -21.820 8.565 -7.827 1.00 42.21 H new ATOM 1374 N SER A 83 -18.765 4.130 -9.349 1.00 23.41 N ATOM 1375 CA SER A 83 -19.297 2.833 -9.752 1.00 2.04 C ATOM 1376 C SER A 83 -18.290 2.077 -10.613 1.00 71.50 C ATOM 1377 O SER A 83 -18.446 1.982 -11.831 1.00 22.24 O ATOM 1378 CB SER A 83 -20.608 3.012 -10.518 1.00 54.25 C ATOM 1379 OG SER A 83 -21.415 4.012 -9.922 1.00 15.53 O ATOM 0 H SER A 83 -18.193 4.590 -10.058 1.00 23.41 H new ATOM 0 HA SER A 83 -19.488 2.250 -8.851 1.00 2.04 H new ATOM 0 HB2 SER A 83 -20.394 3.281 -11.552 1.00 54.25 H new ATOM 0 HB3 SER A 83 -21.151 2.067 -10.540 1.00 54.25 H new ATOM 0 HG SER A 83 -21.880 4.517 -10.621 1.00 15.53 H new ATOM 1385 N ASP A 84 -17.258 1.540 -9.972 1.00 22.12 N ATOM 1386 CA ASP A 84 -16.225 0.790 -10.678 1.00 10.53 C ATOM 1387 C ASP A 84 -16.406 -0.710 -10.471 1.00 63.25 C ATOM 1388 O ASP A 84 -15.521 -1.386 -9.946 1.00 44.11 O ATOM 1389 CB ASP A 84 -14.837 1.220 -10.200 1.00 61.12 C ATOM 1390 CG ASP A 84 -14.246 2.324 -11.055 1.00 73.44 C ATOM 1391 OD1 ASP A 84 -14.734 3.469 -10.965 1.00 13.32 O ATOM 1392 OD2 ASP A 84 -13.297 2.041 -11.816 1.00 44.51 O ATOM 0 H ASP A 84 -17.114 1.610 -8.965 1.00 22.12 H new ATOM 0 HA ASP A 84 -16.317 1.005 -11.743 1.00 10.53 H new ATOM 0 HB2 ASP A 84 -14.901 1.560 -9.166 1.00 61.12 H new ATOM 0 HB3 ASP A 84 -14.169 0.359 -10.211 1.00 61.12 H new ATOM 1397 N TYR A 85 -17.558 -1.225 -10.887 1.00 44.33 N ATOM 1398 CA TYR A 85 -17.856 -2.645 -10.745 1.00 11.20 C ATOM 1399 C TYR A 85 -18.116 -3.003 -9.285 1.00 23.20 C ATOM 1400 O TYR A 85 -18.657 -2.201 -8.525 1.00 52.11 O ATOM 1401 CB TYR A 85 -16.702 -3.487 -11.291 1.00 60.11 C ATOM 1402 CG TYR A 85 -17.152 -4.748 -11.993 1.00 32.51 C ATOM 1403 CD1 TYR A 85 -18.132 -4.708 -12.977 1.00 10.30 C ATOM 1404 CD2 TYR A 85 -16.597 -5.981 -11.672 1.00 63.12 C ATOM 1405 CE1 TYR A 85 -18.547 -5.858 -13.620 1.00 42.20 C ATOM 1406 CE2 TYR A 85 -17.004 -7.136 -12.311 1.00 72.22 C ATOM 1407 CZ TYR A 85 -17.980 -7.069 -13.284 1.00 22.51 C ATOM 1408 OH TYR A 85 -18.389 -8.217 -13.923 1.00 73.22 O ATOM 0 H TYR A 85 -18.301 -0.680 -11.325 1.00 44.33 H new ATOM 0 HA TYR A 85 -18.757 -2.861 -11.319 1.00 11.20 H new ATOM 0 HB2 TYR A 85 -16.119 -2.882 -11.986 1.00 60.11 H new ATOM 0 HB3 TYR A 85 -16.039 -3.756 -10.469 1.00 60.11 H new ATOM 0 HD1 TYR A 85 -18.577 -3.761 -13.244 1.00 10.30 H new ATOM 0 HD2 TYR A 85 -15.834 -6.037 -10.910 1.00 63.12 H new ATOM 0 HE1 TYR A 85 -19.311 -5.809 -14.382 1.00 42.20 H new ATOM 0 HE2 TYR A 85 -16.561 -8.086 -12.051 1.00 72.22 H new ATOM 0 HH TYR A 85 -17.890 -8.983 -13.570 1.00 73.22 H new ATOM 1418 N GLN A 86 -17.725 -4.214 -8.901 1.00 65.12 N ATOM 1419 CA GLN A 86 -17.915 -4.680 -7.533 1.00 3.24 C ATOM 1420 C GLN A 86 -17.405 -3.649 -6.531 1.00 51.30 C ATOM 1421 O GLN A 86 -17.946 -3.516 -5.434 1.00 15.01 O ATOM 1422 CB GLN A 86 -17.195 -6.013 -7.321 1.00 34.14 C ATOM 1423 CG GLN A 86 -15.680 -5.897 -7.345 1.00 61.55 C ATOM 1424 CD GLN A 86 -14.990 -7.238 -7.185 1.00 3.43 C ATOM 1425 OE1 GLN A 86 -15.376 -8.051 -6.345 1.00 1.03 O ATOM 1426 NE2 GLN A 86 -13.962 -7.475 -7.991 1.00 61.03 N ATOM 0 H GLN A 86 -17.275 -4.890 -9.518 1.00 65.12 H new ATOM 0 HA GLN A 86 -18.983 -4.822 -7.370 1.00 3.24 H new ATOM 0 HB2 GLN A 86 -17.504 -6.435 -6.364 1.00 34.14 H new ATOM 0 HB3 GLN A 86 -17.510 -6.713 -8.095 1.00 34.14 H new ATOM 0 HG2 GLN A 86 -15.369 -5.442 -8.286 1.00 61.55 H new ATOM 0 HG3 GLN A 86 -15.358 -5.229 -6.546 1.00 61.55 H new ATOM 0 HE21 GLN A 86 -13.676 -6.772 -8.673 1.00 61.03 H new ATOM 0 HE22 GLN A 86 -13.458 -8.360 -7.928 1.00 61.03 H new ATOM 1435 N GLN A 87 -16.361 -2.922 -6.917 1.00 31.14 N ATOM 1436 CA GLN A 87 -15.778 -1.904 -6.051 1.00 53.30 C ATOM 1437 C GLN A 87 -16.828 -0.880 -5.632 1.00 41.53 C ATOM 1438 O GLN A 87 -16.738 -0.287 -4.556 1.00 45.44 O ATOM 1439 CB GLN A 87 -14.619 -1.202 -6.762 1.00 34.52 C ATOM 1440 CG GLN A 87 -13.322 -1.216 -5.969 1.00 53.32 C ATOM 1441 CD GLN A 87 -12.293 -2.165 -6.550 1.00 70.11 C ATOM 1442 OE1 GLN A 87 -11.552 -1.810 -7.467 1.00 25.02 O ATOM 1443 NE2 GLN A 87 -12.242 -3.381 -6.018 1.00 41.23 N ATOM 0 H GLN A 87 -15.902 -3.019 -7.823 1.00 31.14 H new ATOM 0 HA GLN A 87 -15.400 -2.397 -5.156 1.00 53.30 H new ATOM 0 HB2 GLN A 87 -14.451 -1.682 -7.726 1.00 34.52 H new ATOM 0 HB3 GLN A 87 -14.900 -0.169 -6.965 1.00 34.52 H new ATOM 0 HG2 GLN A 87 -12.907 -0.209 -5.941 1.00 53.32 H new ATOM 0 HG3 GLN A 87 -13.534 -1.502 -4.939 1.00 53.32 H new ATOM 0 HE21 GLN A 87 -12.875 -3.633 -5.259 1.00 41.23 H new ATOM 0 HE22 GLN A 87 -11.569 -4.063 -6.368 1.00 41.23 H new ATOM 1452 N LEU A 88 -17.823 -0.676 -6.489 1.00 2.24 N ATOM 1453 CA LEU A 88 -18.891 0.278 -6.208 1.00 23.32 C ATOM 1454 C LEU A 88 -19.543 -0.016 -4.861 1.00 31.42 C ATOM 1455 O LEU A 88 -20.100 0.876 -4.223 1.00 14.02 O ATOM 1456 CB LEU A 88 -19.943 0.236 -7.317 1.00 72.10 C ATOM 1457 CG LEU A 88 -20.990 -0.874 -7.208 1.00 2.43 C ATOM 1458 CD1 LEU A 88 -22.192 -0.397 -6.408 1.00 2.55 C ATOM 1459 CD2 LEU A 88 -21.419 -1.340 -8.591 1.00 62.22 C ATOM 0 H LEU A 88 -17.913 -1.158 -7.383 1.00 2.24 H new ATOM 0 HA LEU A 88 -18.453 1.275 -6.169 1.00 23.32 H new ATOM 0 HB2 LEU A 88 -20.460 1.195 -7.336 1.00 72.10 H new ATOM 0 HB3 LEU A 88 -19.430 0.131 -8.273 1.00 72.10 H new ATOM 0 HG LEU A 88 -20.543 -1.719 -6.684 1.00 2.43 H new ATOM 0 HD11 LEU A 88 -22.926 -1.200 -6.341 1.00 2.55 H new ATOM 0 HD12 LEU A 88 -21.872 -0.113 -5.405 1.00 2.55 H new ATOM 0 HD13 LEU A 88 -22.640 0.464 -6.903 1.00 2.55 H new ATOM 0 HD21 LEU A 88 -22.164 -2.130 -8.494 1.00 62.22 H new ATOM 0 HD22 LEU A 88 -21.848 -0.502 -9.141 1.00 62.22 H new ATOM 0 HD23 LEU A 88 -20.553 -1.723 -9.131 1.00 62.22 H new ATOM 1471 N GLU A 89 -19.467 -1.273 -4.434 1.00 72.20 N ATOM 1472 CA GLU A 89 -20.050 -1.684 -3.162 1.00 5.43 C ATOM 1473 C GLU A 89 -19.279 -1.080 -1.991 1.00 21.41 C ATOM 1474 O GLU A 89 -19.872 -0.577 -1.037 1.00 31.22 O ATOM 1475 CB GLU A 89 -20.059 -3.210 -3.048 1.00 42.54 C ATOM 1476 CG GLU A 89 -21.176 -3.748 -2.170 1.00 3.20 C ATOM 1477 CD GLU A 89 -21.751 -5.050 -2.691 1.00 33.31 C ATOM 1478 OE1 GLU A 89 -22.574 -5.001 -3.629 1.00 72.31 O ATOM 1479 OE2 GLU A 89 -21.380 -6.118 -2.161 1.00 24.02 O ATOM 0 H GLU A 89 -19.008 -2.024 -4.950 1.00 72.20 H new ATOM 0 HA GLU A 89 -21.076 -1.319 -3.127 1.00 5.43 H new ATOM 0 HB2 GLU A 89 -20.153 -3.640 -4.045 1.00 42.54 H new ATOM 0 HB3 GLU A 89 -19.101 -3.542 -2.647 1.00 42.54 H new ATOM 0 HG2 GLU A 89 -20.797 -3.901 -1.159 1.00 3.20 H new ATOM 0 HG3 GLU A 89 -21.971 -3.005 -2.103 1.00 3.20 H new ATOM 1486 N SER A 90 -17.953 -1.136 -2.071 1.00 53.32 N ATOM 1487 CA SER A 90 -17.101 -0.599 -1.017 1.00 65.20 C ATOM 1488 C SER A 90 -17.189 0.923 -0.969 1.00 43.20 C ATOM 1489 O SER A 90 -17.283 1.517 0.106 1.00 73.52 O ATOM 1490 CB SER A 90 -15.649 -1.031 -1.237 1.00 13.32 C ATOM 1491 OG SER A 90 -15.381 -2.265 -0.594 1.00 53.12 O ATOM 0 H SER A 90 -17.446 -1.548 -2.855 1.00 53.32 H new ATOM 0 HA SER A 90 -17.451 -0.995 -0.064 1.00 65.20 H new ATOM 0 HB2 SER A 90 -15.452 -1.123 -2.305 1.00 13.32 H new ATOM 0 HB3 SER A 90 -14.976 -0.264 -0.854 1.00 13.32 H new ATOM 0 HG SER A 90 -14.448 -2.520 -0.751 1.00 53.12 H new ATOM 1497 N ILE A 91 -17.157 1.549 -2.141 1.00 22.51 N ATOM 1498 CA ILE A 91 -17.234 3.001 -2.233 1.00 51.14 C ATOM 1499 C ILE A 91 -18.601 3.508 -1.787 1.00 0.54 C ATOM 1500 O ILE A 91 -18.702 4.509 -1.076 1.00 45.01 O ATOM 1501 CB ILE A 91 -16.962 3.489 -3.669 1.00 0.14 C ATOM 1502 CG1 ILE A 91 -15.666 2.876 -4.202 1.00 62.50 C ATOM 1503 CG2 ILE A 91 -16.890 5.008 -3.707 1.00 12.32 C ATOM 1504 CD1 ILE A 91 -15.378 3.231 -5.644 1.00 4.02 C ATOM 0 H ILE A 91 -17.078 1.073 -3.040 1.00 22.51 H new ATOM 0 HA ILE A 91 -16.467 3.401 -1.570 1.00 51.14 H new ATOM 0 HB ILE A 91 -17.784 3.167 -4.308 1.00 0.14 H new ATOM 0 HG12 ILE A 91 -14.834 3.209 -3.581 1.00 62.50 H new ATOM 0 HG13 ILE A 91 -15.721 1.792 -4.107 1.00 62.50 H new ATOM 0 HG21 ILE A 91 -16.697 5.338 -4.728 1.00 12.32 H new ATOM 0 HG22 ILE A 91 -17.836 5.426 -3.363 1.00 12.32 H new ATOM 0 HG23 ILE A 91 -16.085 5.350 -3.057 1.00 12.32 H new ATOM 0 HD11 ILE A 91 -14.444 2.762 -5.955 1.00 4.02 H new ATOM 0 HD12 ILE A 91 -16.191 2.874 -6.276 1.00 4.02 H new ATOM 0 HD13 ILE A 91 -15.291 4.313 -5.742 1.00 4.02 H new ATOM 1516 N TYR A 92 -19.651 2.811 -2.206 1.00 63.10 N ATOM 1517 CA TYR A 92 -21.013 3.191 -1.850 1.00 24.33 C ATOM 1518 C TYR A 92 -21.238 3.064 -0.346 1.00 62.11 C ATOM 1519 O TYR A 92 -21.847 3.933 0.278 1.00 43.31 O ATOM 1520 CB TYR A 92 -22.021 2.321 -2.603 1.00 24.13 C ATOM 1521 CG TYR A 92 -23.460 2.710 -2.355 1.00 15.12 C ATOM 1522 CD1 TYR A 92 -24.041 3.773 -3.036 1.00 3.13 C ATOM 1523 CD2 TYR A 92 -24.241 2.014 -1.440 1.00 70.21 C ATOM 1524 CE1 TYR A 92 -25.356 4.133 -2.812 1.00 25.54 C ATOM 1525 CE2 TYR A 92 -25.557 2.365 -1.211 1.00 13.23 C ATOM 1526 CZ TYR A 92 -26.110 3.426 -1.899 1.00 22.55 C ATOM 1527 OH TYR A 92 -27.420 3.779 -1.674 1.00 14.54 O ATOM 0 H TYR A 92 -19.585 1.979 -2.793 1.00 63.10 H new ATOM 0 HA TYR A 92 -21.159 4.233 -2.135 1.00 24.33 H new ATOM 0 HB2 TYR A 92 -21.815 2.384 -3.672 1.00 24.13 H new ATOM 0 HB3 TYR A 92 -21.879 1.280 -2.312 1.00 24.13 H new ATOM 0 HD1 TYR A 92 -23.454 4.328 -3.753 1.00 3.13 H new ATOM 0 HD2 TYR A 92 -23.811 1.184 -0.899 1.00 70.21 H new ATOM 0 HE1 TYR A 92 -25.791 4.963 -3.349 1.00 25.54 H new ATOM 0 HE2 TYR A 92 -26.150 1.812 -0.497 1.00 13.23 H new ATOM 0 HH TYR A 92 -27.810 3.180 -1.003 1.00 14.54 H new ATOM 1537 N PHE A 93 -20.741 1.974 0.230 1.00 12.20 N ATOM 1538 CA PHE A 93 -20.888 1.732 1.661 1.00 65.55 C ATOM 1539 C PHE A 93 -20.131 2.781 2.470 1.00 33.43 C ATOM 1540 O PHE A 93 -20.679 3.379 3.396 1.00 53.51 O ATOM 1541 CB PHE A 93 -20.380 0.333 2.017 1.00 61.35 C ATOM 1542 CG PHE A 93 -20.868 -0.161 3.348 1.00 30.24 C ATOM 1543 CD1 PHE A 93 -20.414 0.414 4.524 1.00 11.42 C ATOM 1544 CD2 PHE A 93 -21.781 -1.200 3.425 1.00 71.54 C ATOM 1545 CE1 PHE A 93 -20.861 -0.039 5.751 1.00 51.20 C ATOM 1546 CE2 PHE A 93 -22.232 -1.658 4.649 1.00 51.44 C ATOM 1547 CZ PHE A 93 -21.772 -1.075 5.813 1.00 31.13 C ATOM 0 H PHE A 93 -20.234 1.245 -0.271 1.00 12.20 H new ATOM 0 HA PHE A 93 -21.947 1.801 1.910 1.00 65.55 H new ATOM 0 HB2 PHE A 93 -20.693 -0.367 1.242 1.00 61.35 H new ATOM 0 HB3 PHE A 93 -19.290 0.340 2.019 1.00 61.35 H new ATOM 0 HD1 PHE A 93 -19.703 1.226 4.481 1.00 11.42 H new ATOM 0 HD2 PHE A 93 -22.145 -1.658 2.517 1.00 71.54 H new ATOM 0 HE1 PHE A 93 -20.498 0.417 6.660 1.00 51.20 H new ATOM 0 HE2 PHE A 93 -22.943 -2.470 4.695 1.00 51.44 H new ATOM 0 HZ PHE A 93 -22.124 -1.429 6.771 1.00 31.13 H new ATOM 1557 N ARG A 94 -18.869 2.997 2.115 1.00 70.11 N ATOM 1558 CA ARG A 94 -18.036 3.972 2.809 1.00 73.21 C ATOM 1559 C ARG A 94 -18.602 5.380 2.652 1.00 52.22 C ATOM 1560 O ARG A 94 -18.438 6.227 3.530 1.00 4.32 O ATOM 1561 CB ARG A 94 -16.604 3.924 2.274 1.00 61.41 C ATOM 1562 CG ARG A 94 -15.603 3.352 3.264 1.00 22.33 C ATOM 1563 CD ARG A 94 -15.303 1.890 2.972 1.00 60.20 C ATOM 1564 NE ARG A 94 -16.118 0.991 3.785 1.00 60.13 N ATOM 1565 CZ ARG A 94 -16.182 -0.321 3.589 1.00 33.52 C ATOM 1566 NH1 ARG A 94 -15.483 -0.885 2.614 1.00 52.23 N ATOM 1567 NH2 ARG A 94 -16.947 -1.073 4.371 1.00 61.20 N ATOM 0 H ARG A 94 -18.401 2.510 1.351 1.00 70.11 H new ATOM 0 HA ARG A 94 -18.029 3.718 3.869 1.00 73.21 H new ATOM 0 HB2 ARG A 94 -16.585 3.325 1.364 1.00 61.41 H new ATOM 0 HB3 ARG A 94 -16.294 4.932 1.998 1.00 61.41 H new ATOM 0 HG2 ARG A 94 -14.679 3.929 3.223 1.00 22.33 H new ATOM 0 HG3 ARG A 94 -15.995 3.449 4.276 1.00 22.33 H new ATOM 0 HD2 ARG A 94 -15.483 1.687 1.916 1.00 60.20 H new ATOM 0 HD3 ARG A 94 -14.248 1.692 3.160 1.00 60.20 H new ATOM 0 HE ARG A 94 -16.668 1.393 4.544 1.00 60.13 H new ATOM 0 HH11 ARG A 94 -14.893 -0.311 2.011 1.00 52.23 H new ATOM 0 HH12 ARG A 94 -15.535 -1.893 2.467 1.00 52.23 H new ATOM 0 HH21 ARG A 94 -17.486 -0.643 5.123 1.00 61.20 H new ATOM 0 HH22 ARG A 94 -16.996 -2.081 4.220 1.00 61.20 H new ATOM 1581 N ILE A 95 -19.268 5.622 1.528 1.00 53.51 N ATOM 1582 CA ILE A 95 -19.858 6.927 1.257 1.00 55.35 C ATOM 1583 C ILE A 95 -21.211 7.073 1.946 1.00 3.21 C ATOM 1584 O ILE A 95 -21.648 8.184 2.250 1.00 34.33 O ATOM 1585 CB ILE A 95 -20.038 7.161 -0.255 1.00 70.42 C ATOM 1586 CG1 ILE A 95 -18.681 7.395 -0.922 1.00 1.11 C ATOM 1587 CG2 ILE A 95 -20.967 8.340 -0.503 1.00 4.05 C ATOM 1588 CD1 ILE A 95 -18.725 7.304 -2.431 1.00 73.41 C ATOM 0 H ILE A 95 -19.412 4.932 0.791 1.00 53.51 H new ATOM 0 HA ILE A 95 -19.168 7.673 1.653 1.00 55.35 H new ATOM 0 HB ILE A 95 -20.489 6.271 -0.694 1.00 70.42 H new ATOM 0 HG12 ILE A 95 -18.310 8.379 -0.636 1.00 1.11 H new ATOM 0 HG13 ILE A 95 -17.968 6.663 -0.543 1.00 1.11 H new ATOM 0 HG21 ILE A 95 -21.084 8.492 -1.576 1.00 4.05 H new ATOM 0 HG22 ILE A 95 -21.941 8.136 -0.057 1.00 4.05 H new ATOM 0 HG23 ILE A 95 -20.543 9.238 -0.053 1.00 4.05 H new ATOM 0 HD11 ILE A 95 -17.728 7.481 -2.835 1.00 73.41 H new ATOM 0 HD12 ILE A 95 -19.066 6.311 -2.726 1.00 73.41 H new ATOM 0 HD13 ILE A 95 -19.413 8.054 -2.821 1.00 73.41 H new ATOM 1600 N LEU A 96 -21.868 5.945 2.192 1.00 2.20 N ATOM 1601 CA LEU A 96 -23.171 5.946 2.848 1.00 3.13 C ATOM 1602 C LEU A 96 -23.017 5.863 4.364 1.00 51.34 C ATOM 1603 O LEU A 96 -23.988 6.016 5.106 1.00 31.51 O ATOM 1604 CB LEU A 96 -24.018 4.776 2.345 1.00 1.14 C ATOM 1605 CG LEU A 96 -25.038 5.106 1.255 1.00 65.34 C ATOM 1606 CD1 LEU A 96 -26.184 5.925 1.826 1.00 53.11 C ATOM 1607 CD2 LEU A 96 -24.369 5.848 0.107 1.00 51.33 C ATOM 0 H LEU A 96 -21.520 5.018 1.947 1.00 2.20 H new ATOM 0 HA LEU A 96 -23.673 6.882 2.603 1.00 3.13 H new ATOM 0 HB2 LEU A 96 -23.348 4.005 1.966 1.00 1.14 H new ATOM 0 HB3 LEU A 96 -24.550 4.347 3.194 1.00 1.14 H new ATOM 0 HG LEU A 96 -25.445 4.171 0.869 1.00 65.34 H new ATOM 0 HD11 LEU A 96 -26.900 6.150 1.035 1.00 53.11 H new ATOM 0 HD12 LEU A 96 -26.680 5.357 2.613 1.00 53.11 H new ATOM 0 HD13 LEU A 96 -25.795 6.856 2.239 1.00 53.11 H new ATOM 0 HD21 LEU A 96 -25.109 6.075 -0.660 1.00 51.33 H new ATOM 0 HD22 LEU A 96 -23.934 6.776 0.478 1.00 51.33 H new ATOM 0 HD23 LEU A 96 -23.583 5.225 -0.320 1.00 51.33 H new ATOM 1619 N LEU A 97 -21.792 5.623 4.816 1.00 4.15 N ATOM 1620 CA LEU A 97 -21.510 5.522 6.244 1.00 4.43 C ATOM 1621 C LEU A 97 -22.295 6.568 7.029 1.00 4.25 C ATOM 1622 O LEU A 97 -22.587 7.659 6.538 1.00 24.15 O ATOM 1623 CB LEU A 97 -20.011 5.693 6.502 1.00 54.44 C ATOM 1624 CG LEU A 97 -19.326 4.555 7.258 1.00 61.35 C ATOM 1625 CD1 LEU A 97 -18.249 3.914 6.396 1.00 73.24 C ATOM 1626 CD2 LEU A 97 -18.734 5.062 8.564 1.00 4.41 C ATOM 0 H LEU A 97 -20.978 5.495 4.215 1.00 4.15 H new ATOM 0 HA LEU A 97 -21.820 4.533 6.581 1.00 4.43 H new ATOM 0 HB2 LEU A 97 -19.510 5.818 5.542 1.00 54.44 H new ATOM 0 HB3 LEU A 97 -19.862 6.616 7.062 1.00 54.44 H new ATOM 0 HG LEU A 97 -20.074 3.798 7.492 1.00 61.35 H new ATOM 0 HD11 LEU A 97 -17.772 3.106 6.951 1.00 73.24 H new ATOM 0 HD12 LEU A 97 -18.700 3.514 5.488 1.00 73.24 H new ATOM 0 HD13 LEU A 97 -17.502 4.662 6.131 1.00 73.24 H new ATOM 0 HD21 LEU A 97 -18.251 4.238 9.088 1.00 4.41 H new ATOM 0 HD22 LEU A 97 -17.999 5.839 8.353 1.00 4.41 H new ATOM 0 HD23 LEU A 97 -19.528 5.473 9.188 1.00 4.41 H new ATOM 1638 N PRO A 98 -22.644 6.231 8.280 1.00 64.11 N ATOM 1639 CA PRO A 98 -23.397 7.128 9.161 1.00 41.21 C ATOM 1640 C PRO A 98 -22.570 8.328 9.611 1.00 70.14 C ATOM 1641 O PRO A 98 -23.093 9.432 9.765 1.00 60.22 O ATOM 1642 CB PRO A 98 -23.745 6.240 10.358 1.00 73.01 C ATOM 1643 CG PRO A 98 -22.689 5.189 10.370 1.00 53.21 C ATOM 1644 CD PRO A 98 -22.329 4.948 8.930 1.00 31.31 C ATOM 0 HA PRO A 98 -24.267 7.554 8.661 1.00 41.21 H new ATOM 0 HB2 PRO A 98 -23.746 6.810 11.287 1.00 73.01 H new ATOM 0 HB3 PRO A 98 -24.738 5.803 10.251 1.00 73.01 H new ATOM 0 HG2 PRO A 98 -21.819 5.516 10.940 1.00 53.21 H new ATOM 0 HG3 PRO A 98 -23.053 4.275 10.840 1.00 53.21 H new ATOM 0 HD2 PRO A 98 -21.276 4.688 8.817 1.00 31.31 H new ATOM 0 HD3 PRO A 98 -22.907 4.129 8.503 1.00 31.31 H new ATOM 1652 N TYR A 99 -21.277 8.105 9.819 1.00 33.40 N ATOM 1653 CA TYR A 99 -20.378 9.167 10.253 1.00 14.41 C ATOM 1654 C TYR A 99 -20.127 10.163 9.125 1.00 62.13 C ATOM 1655 O TYR A 99 -20.156 11.375 9.334 1.00 12.04 O ATOM 1656 CB TYR A 99 -19.051 8.577 10.733 1.00 53.31 C ATOM 1657 CG TYR A 99 -19.205 7.571 11.851 1.00 71.45 C ATOM 1658 CD1 TYR A 99 -20.003 7.845 12.954 1.00 32.42 C ATOM 1659 CD2 TYR A 99 -18.553 6.345 11.802 1.00 23.40 C ATOM 1660 CE1 TYR A 99 -20.146 6.928 13.978 1.00 42.02 C ATOM 1661 CE2 TYR A 99 -18.691 5.421 12.820 1.00 3.34 C ATOM 1662 CZ TYR A 99 -19.488 5.718 13.906 1.00 21.22 C ATOM 1663 OH TYR A 99 -19.629 4.802 14.923 1.00 25.52 O ATOM 0 H TYR A 99 -20.828 7.198 9.694 1.00 33.40 H new ATOM 0 HA TYR A 99 -20.853 9.695 11.080 1.00 14.41 H new ATOM 0 HB2 TYR A 99 -18.550 8.098 9.891 1.00 53.31 H new ATOM 0 HB3 TYR A 99 -18.404 9.387 11.071 1.00 53.31 H new ATOM 0 HD1 TYR A 99 -20.521 8.791 13.013 1.00 32.42 H new ATOM 0 HD2 TYR A 99 -17.927 6.110 10.953 1.00 23.40 H new ATOM 0 HE1 TYR A 99 -20.769 7.158 14.830 1.00 42.02 H new ATOM 0 HE2 TYR A 99 -18.178 4.472 12.766 1.00 3.34 H new ATOM 0 HH TYR A 99 -19.102 4.002 14.718 1.00 25.52 H new ATOM 1673 N GLU A 100 -19.880 9.640 7.927 1.00 12.44 N ATOM 1674 CA GLU A 100 -19.623 10.483 6.765 1.00 32.13 C ATOM 1675 C GLU A 100 -20.870 11.273 6.380 1.00 54.22 C ATOM 1676 O GLU A 100 -20.814 12.488 6.187 1.00 24.23 O ATOM 1677 CB GLU A 100 -19.160 9.630 5.582 1.00 53.40 C ATOM 1678 CG GLU A 100 -19.017 10.413 4.287 1.00 30.24 C ATOM 1679 CD GLU A 100 -18.434 11.796 4.503 1.00 32.01 C ATOM 1680 OE1 GLU A 100 -17.389 11.901 5.178 1.00 42.43 O ATOM 1681 OE2 GLU A 100 -19.024 12.773 3.996 1.00 12.24 O ATOM 0 H GLU A 100 -19.853 8.638 7.736 1.00 12.44 H new ATOM 0 HA GLU A 100 -18.834 11.188 7.026 1.00 32.13 H new ATOM 0 HB2 GLU A 100 -18.202 9.172 5.828 1.00 53.40 H new ATOM 0 HB3 GLU A 100 -19.871 8.818 5.430 1.00 53.40 H new ATOM 0 HG2 GLU A 100 -18.379 9.857 3.599 1.00 30.24 H new ATOM 0 HG3 GLU A 100 -19.994 10.505 3.812 1.00 30.24 H new ATOM 1688 N ARG A 101 -21.995 10.575 6.268 1.00 35.55 N ATOM 1689 CA ARG A 101 -23.256 11.210 5.904 1.00 33.43 C ATOM 1690 C ARG A 101 -23.674 12.233 6.957 1.00 63.52 C ATOM 1691 O ARG A 101 -24.231 13.281 6.632 1.00 41.53 O ATOM 1692 CB ARG A 101 -24.353 10.156 5.738 1.00 11.22 C ATOM 1693 CG ARG A 101 -24.756 9.486 7.042 1.00 54.15 C ATOM 1694 CD ARG A 101 -25.891 10.233 7.724 1.00 15.21 C ATOM 1695 NE ARG A 101 -27.113 9.435 7.787 1.00 63.24 N ATOM 1696 CZ ARG A 101 -28.265 9.891 8.264 1.00 32.34 C ATOM 1697 NH1 ARG A 101 -28.353 11.133 8.719 1.00 52.34 N ATOM 1698 NH2 ARG A 101 -29.333 9.103 8.288 1.00 10.31 N ATOM 0 H ARG A 101 -22.059 9.569 6.424 1.00 35.55 H new ATOM 0 HA ARG A 101 -23.112 11.728 4.956 1.00 33.43 H new ATOM 0 HB2 ARG A 101 -25.231 10.625 5.294 1.00 11.22 H new ATOM 0 HB3 ARG A 101 -24.010 9.394 5.038 1.00 11.22 H new ATOM 0 HG2 ARG A 101 -25.062 8.458 6.845 1.00 54.15 H new ATOM 0 HG3 ARG A 101 -23.896 9.440 7.710 1.00 54.15 H new ATOM 0 HD2 ARG A 101 -25.587 10.511 8.733 1.00 15.21 H new ATOM 0 HD3 ARG A 101 -26.091 11.159 7.185 1.00 15.21 H new ATOM 0 HE ARG A 101 -27.079 8.474 7.446 1.00 63.24 H new ATOM 0 HH11 ARG A 101 -27.534 11.741 8.703 1.00 52.34 H new ATOM 0 HH12 ARG A 101 -29.239 11.481 9.085 1.00 52.34 H new ATOM 0 HH21 ARG A 101 -29.269 8.146 7.940 1.00 10.31 H new ATOM 0 HH22 ARG A 101 -30.218 9.454 8.655 1.00 10.31 H new ATOM 1712 N HIS A 102 -23.401 11.920 8.220 1.00 60.34 N ATOM 1713 CA HIS A 102 -23.748 12.812 9.320 1.00 32.43 C ATOM 1714 C HIS A 102 -22.911 14.086 9.272 1.00 42.14 C ATOM 1715 O HIS A 102 -23.423 15.185 9.481 1.00 14.04 O ATOM 1716 CB HIS A 102 -23.545 12.105 10.661 1.00 61.22 C ATOM 1717 CG HIS A 102 -23.761 12.995 11.846 1.00 74.31 C ATOM 1718 ND1 HIS A 102 -22.938 12.988 12.952 1.00 14.23 N ATOM 1719 CD2 HIS A 102 -24.714 13.924 12.093 1.00 32.21 C ATOM 1720 CE1 HIS A 102 -23.377 13.874 13.829 1.00 25.44 C ATOM 1721 NE2 HIS A 102 -24.453 14.455 13.332 1.00 41.51 N ATOM 0 H HIS A 102 -22.941 11.056 8.506 1.00 60.34 H new ATOM 0 HA HIS A 102 -24.798 13.085 9.216 1.00 32.43 H new ATOM 0 HB2 HIS A 102 -24.229 11.259 10.723 1.00 61.22 H new ATOM 0 HB3 HIS A 102 -22.533 11.701 10.700 1.00 61.22 H new ATOM 0 HD2 HIS A 102 -25.528 14.197 11.438 1.00 32.21 H new ATOM 0 HE1 HIS A 102 -22.931 14.087 14.789 1.00 25.44 H new ATOM 0 HE2 HIS A 102 -25.002 15.181 13.793 1.00 41.51 H new ATOM 1729 N MET A 103 -21.620 13.930 8.994 1.00 14.33 N ATOM 1730 CA MET A 103 -20.713 15.069 8.918 1.00 43.11 C ATOM 1731 C MET A 103 -21.172 16.060 7.854 1.00 55.35 C ATOM 1732 O MET A 103 -21.179 17.271 8.081 1.00 71.51 O ATOM 1733 CB MET A 103 -19.291 14.596 8.610 1.00 21.44 C ATOM 1734 CG MET A 103 -18.291 14.922 9.708 1.00 61.12 C ATOM 1735 SD MET A 103 -16.937 13.734 9.790 1.00 72.33 S ATOM 1736 CE MET A 103 -16.177 14.193 11.345 1.00 12.12 C ATOM 0 H MET A 103 -21.180 13.027 8.818 1.00 14.33 H new ATOM 0 HA MET A 103 -20.720 15.572 9.885 1.00 43.11 H new ATOM 0 HB2 MET A 103 -19.302 13.518 8.449 1.00 21.44 H new ATOM 0 HB3 MET A 103 -18.958 15.054 7.679 1.00 21.44 H new ATOM 0 HG2 MET A 103 -17.884 15.919 9.539 1.00 61.12 H new ATOM 0 HG3 MET A 103 -18.807 14.946 10.668 1.00 61.12 H new ATOM 0 HE1 MET A 103 -15.321 13.546 11.537 1.00 12.12 H new ATOM 0 HE2 MET A 103 -15.844 15.230 11.295 1.00 12.12 H new ATOM 0 HE3 MET A 103 -16.902 14.083 12.151 1.00 12.12 H new ATOM 1746 N ILE A 104 -21.555 15.540 6.693 1.00 74.34 N ATOM 1747 CA ILE A 104 -22.017 16.380 5.594 1.00 31.44 C ATOM 1748 C ILE A 104 -23.462 16.818 5.808 1.00 40.14 C ATOM 1749 O ILE A 104 -23.890 17.852 5.295 1.00 42.04 O ATOM 1750 CB ILE A 104 -21.908 15.649 4.243 1.00 51.42 C ATOM 1751 CG1 ILE A 104 -22.784 14.395 4.244 1.00 55.11 C ATOM 1752 CG2 ILE A 104 -20.459 15.289 3.951 1.00 51.43 C ATOM 1753 CD1 ILE A 104 -22.917 13.749 2.883 1.00 45.14 C ATOM 0 H ILE A 104 -21.555 14.541 6.489 1.00 74.34 H new ATOM 0 HA ILE A 104 -21.372 17.259 5.575 1.00 31.44 H new ATOM 0 HB ILE A 104 -22.262 16.316 3.457 1.00 51.42 H new ATOM 0 HG12 ILE A 104 -22.365 13.670 4.942 1.00 55.11 H new ATOM 0 HG13 ILE A 104 -23.776 14.655 4.612 1.00 55.11 H new ATOM 0 HG21 ILE A 104 -20.398 14.773 2.993 1.00 51.43 H new ATOM 0 HG22 ILE A 104 -19.859 16.198 3.912 1.00 51.43 H new ATOM 0 HG23 ILE A 104 -20.080 14.638 4.739 1.00 51.43 H new ATOM 0 HD11 ILE A 104 -23.552 12.866 2.960 1.00 45.14 H new ATOM 0 HD12 ILE A 104 -23.364 14.458 2.186 1.00 45.14 H new ATOM 0 HD13 ILE A 104 -21.931 13.457 2.521 1.00 45.14 H new ATOM 1765 N SER A 105 -24.209 16.025 6.569 1.00 1.44 N ATOM 1766 CA SER A 105 -25.607 16.330 6.850 1.00 51.45 C ATOM 1767 C SER A 105 -25.743 17.699 7.511 1.00 62.34 C ATOM 1768 O SER A 105 -26.749 18.386 7.337 1.00 45.24 O ATOM 1769 CB SER A 105 -26.215 15.254 7.750 1.00 34.32 C ATOM 1770 OG SER A 105 -26.835 14.236 6.982 1.00 4.43 O ATOM 0 H SER A 105 -23.870 15.166 7.002 1.00 1.44 H new ATOM 0 HA SER A 105 -26.146 16.348 5.903 1.00 51.45 H new ATOM 0 HB2 SER A 105 -25.437 14.818 8.377 1.00 34.32 H new ATOM 0 HB3 SER A 105 -26.947 15.706 8.419 1.00 34.32 H new ATOM 0 HG SER A 105 -26.153 13.613 6.653 1.00 4.43 H new ATOM 1776 N GLN A 106 -24.723 18.086 8.269 1.00 5.12 N ATOM 1777 CA GLN A 106 -24.728 19.372 8.957 1.00 22.33 C ATOM 1778 C GLN A 106 -24.957 20.515 7.974 1.00 74.52 C ATOM 1779 O GLN A 106 -25.641 21.488 8.289 1.00 44.23 O ATOM 1780 CB GLN A 106 -23.408 19.581 9.702 1.00 41.04 C ATOM 1781 CG GLN A 106 -23.480 20.651 10.779 1.00 51.11 C ATOM 1782 CD GLN A 106 -23.498 20.070 12.179 1.00 60.42 C ATOM 1783 OE1 GLN A 106 -24.431 20.301 12.948 1.00 75.02 O ATOM 1784 NE2 GLN A 106 -22.463 19.309 12.517 1.00 14.15 N ATOM 0 H GLN A 106 -23.883 17.528 8.423 1.00 5.12 H new ATOM 0 HA GLN A 106 -25.547 19.367 9.677 1.00 22.33 H new ATOM 0 HB2 GLN A 106 -23.104 18.638 10.158 1.00 41.04 H new ATOM 0 HB3 GLN A 106 -22.634 19.852 8.984 1.00 41.04 H new ATOM 0 HG2 GLN A 106 -22.626 21.320 10.679 1.00 51.11 H new ATOM 0 HG3 GLN A 106 -24.376 21.253 10.628 1.00 51.11 H new ATOM 0 HE21 GLN A 106 -21.711 19.144 11.848 1.00 14.15 H new ATOM 0 HE22 GLN A 106 -22.420 18.890 13.446 1.00 14.15 H new ATOM 1793 N GLU A 107 -24.382 20.388 6.782 1.00 4.23 N ATOM 1794 CA GLU A 107 -24.523 21.412 5.754 1.00 53.03 C ATOM 1795 C GLU A 107 -25.331 20.886 4.571 1.00 52.54 C ATOM 1796 O GLU A 107 -25.243 21.412 3.462 1.00 43.31 O ATOM 1797 CB GLU A 107 -23.147 21.882 5.277 1.00 32.33 C ATOM 1798 CG GLU A 107 -23.056 23.384 5.066 1.00 72.42 C ATOM 1799 CD GLU A 107 -22.791 24.139 6.354 1.00 51.04 C ATOM 1800 OE1 GLU A 107 -23.728 24.272 7.168 1.00 32.40 O ATOM 1801 OE2 GLU A 107 -21.645 24.597 6.547 1.00 55.54 O ATOM 0 H GLU A 107 -23.815 19.587 6.505 1.00 4.23 H new ATOM 0 HA GLU A 107 -25.056 22.257 6.190 1.00 53.03 H new ATOM 0 HB2 GLU A 107 -22.396 21.580 6.007 1.00 32.33 H new ATOM 0 HB3 GLU A 107 -22.904 21.377 4.342 1.00 32.33 H new ATOM 0 HG2 GLU A 107 -22.260 23.599 4.353 1.00 72.42 H new ATOM 0 HG3 GLU A 107 -23.986 23.742 4.624 1.00 72.42 H new ATOM 1808 N GLY A 108 -26.119 19.844 4.816 1.00 73.11 N ATOM 1809 CA GLY A 108 -26.931 19.264 3.762 1.00 30.42 C ATOM 1810 C GLY A 108 -28.035 18.377 4.303 1.00 70.42 C ATOM 1811 O GLY A 108 -28.257 17.275 3.800 1.00 73.13 O ATOM 0 H GLY A 108 -26.210 19.391 5.725 1.00 73.11 H new ATOM 0 HA2 GLY A 108 -27.371 20.063 3.165 1.00 30.42 H new ATOM 0 HA3 GLY A 108 -26.295 18.681 3.096 1.00 30.42 H new ATOM 1815 N ILE A 109 -28.727 18.856 5.331 1.00 51.13 N ATOM 1816 CA ILE A 109 -29.813 18.098 5.940 1.00 51.43 C ATOM 1817 C ILE A 109 -30.922 17.820 4.931 1.00 32.30 C ATOM 1818 O ILE A 109 -31.742 16.922 5.125 1.00 61.33 O ATOM 1819 CB ILE A 109 -30.410 18.842 7.149 1.00 4.41 C ATOM 1820 CG1 ILE A 109 -30.744 20.287 6.773 1.00 45.34 C ATOM 1821 CG2 ILE A 109 -29.443 18.805 8.323 1.00 1.23 C ATOM 1822 CD1 ILE A 109 -32.164 20.685 7.105 1.00 14.53 C ATOM 0 H ILE A 109 -28.555 19.765 5.760 1.00 51.13 H new ATOM 0 HA ILE A 109 -29.387 17.153 6.279 1.00 51.43 H new ATOM 0 HB ILE A 109 -31.332 18.342 7.446 1.00 4.41 H new ATOM 0 HG12 ILE A 109 -30.057 20.957 7.291 1.00 45.34 H new ATOM 0 HG13 ILE A 109 -30.577 20.424 5.704 1.00 45.34 H new ATOM 0 HG21 ILE A 109 -29.879 19.335 9.170 1.00 1.23 H new ATOM 0 HG22 ILE A 109 -29.250 17.769 8.603 1.00 1.23 H new ATOM 0 HG23 ILE A 109 -28.506 19.284 8.038 1.00 1.23 H new ATOM 0 HD11 ILE A 109 -32.330 21.721 6.811 1.00 14.53 H new ATOM 0 HD12 ILE A 109 -32.858 20.040 6.566 1.00 14.53 H new ATOM 0 HD13 ILE A 109 -32.330 20.581 8.177 1.00 14.53 H new ATOM 1834 N LYS A 110 -30.941 18.595 3.852 1.00 73.42 N ATOM 1835 CA LYS A 110 -31.947 18.431 2.809 1.00 33.32 C ATOM 1836 C LYS A 110 -31.919 17.014 2.244 1.00 51.20 C ATOM 1837 O LYS A 110 -32.953 16.470 1.857 1.00 11.55 O ATOM 1838 CB LYS A 110 -31.717 19.444 1.686 1.00 51.12 C ATOM 1839 CG LYS A 110 -30.328 19.371 1.076 1.00 2.22 C ATOM 1840 CD LYS A 110 -30.304 18.478 -0.153 1.00 14.20 C ATOM 1841 CE LYS A 110 -28.885 18.079 -0.525 1.00 44.21 C ATOM 1842 NZ LYS A 110 -28.465 18.670 -1.826 1.00 75.23 N ATOM 0 H LYS A 110 -30.271 19.344 3.677 1.00 73.42 H new ATOM 0 HA LYS A 110 -32.927 18.607 3.253 1.00 33.32 H new ATOM 0 HB2 LYS A 110 -32.458 19.280 0.903 1.00 51.12 H new ATOM 0 HB3 LYS A 110 -31.881 20.449 2.075 1.00 51.12 H new ATOM 0 HG2 LYS A 110 -29.996 20.373 0.805 1.00 2.22 H new ATOM 0 HG3 LYS A 110 -29.624 18.991 1.816 1.00 2.22 H new ATOM 0 HD2 LYS A 110 -30.897 17.583 0.035 1.00 14.20 H new ATOM 0 HD3 LYS A 110 -30.768 18.998 -0.991 1.00 14.20 H new ATOM 0 HE2 LYS A 110 -28.200 18.402 0.259 1.00 44.21 H new ATOM 0 HE3 LYS A 110 -28.816 16.993 -0.581 1.00 44.21 H new ATOM 0 HZ1 LYS A 110 -28.375 17.916 -2.537 1.00 75.23 H new ATOM 0 HZ2 LYS A 110 -29.177 19.359 -2.140 1.00 75.23 H new ATOM 0 HZ3 LYS A 110 -27.548 19.148 -1.711 1.00 75.23 H new ATOM 1856 N GLU A 111 -30.729 16.423 2.201 1.00 74.44 N ATOM 1857 CA GLU A 111 -30.569 15.069 1.683 1.00 23.10 C ATOM 1858 C GLU A 111 -31.329 14.064 2.543 1.00 31.42 C ATOM 1859 O GLU A 111 -31.708 12.989 2.075 1.00 13.44 O ATOM 1860 CB GLU A 111 -29.087 14.692 1.629 1.00 4.31 C ATOM 1861 CG GLU A 111 -28.800 13.469 0.775 1.00 71.13 C ATOM 1862 CD GLU A 111 -27.743 13.729 -0.281 1.00 21.13 C ATOM 1863 OE1 GLU A 111 -26.613 14.108 0.093 1.00 52.40 O ATOM 1864 OE2 GLU A 111 -28.045 13.553 -1.480 1.00 2.44 O ATOM 0 H GLU A 111 -29.863 16.859 2.518 1.00 74.44 H new ATOM 0 HA GLU A 111 -30.981 15.043 0.674 1.00 23.10 H new ATOM 0 HB2 GLU A 111 -28.520 15.538 1.240 1.00 4.31 H new ATOM 0 HB3 GLU A 111 -28.730 14.509 2.643 1.00 4.31 H new ATOM 0 HG2 GLU A 111 -28.473 12.651 1.417 1.00 71.13 H new ATOM 0 HG3 GLU A 111 -29.721 13.145 0.290 1.00 71.13 H new ATOM 1871 N THR A 112 -31.549 14.420 3.805 1.00 24.11 N ATOM 1872 CA THR A 112 -32.261 13.550 4.732 1.00 75.11 C ATOM 1873 C THR A 112 -33.686 13.290 4.256 1.00 33.15 C ATOM 1874 O THR A 112 -34.167 12.158 4.299 1.00 62.32 O ATOM 1875 CB THR A 112 -32.307 14.155 6.148 1.00 72.22 C ATOM 1876 OG1 THR A 112 -30.978 14.324 6.651 1.00 5.43 O ATOM 1877 CG2 THR A 112 -33.102 13.265 7.091 1.00 34.31 C ATOM 0 H THR A 112 -31.244 15.306 4.208 1.00 24.11 H new ATOM 0 HA THR A 112 -31.714 12.608 4.766 1.00 75.11 H new ATOM 0 HB THR A 112 -32.799 15.126 6.089 1.00 72.22 H new ATOM 0 HG1 THR A 112 -31.015 14.711 7.551 1.00 5.43 H new ATOM 0 HG21 THR A 112 -33.121 13.713 8.085 1.00 34.31 H new ATOM 0 HG22 THR A 112 -34.122 13.162 6.720 1.00 34.31 H new ATOM 0 HG23 THR A 112 -32.634 12.282 7.145 1.00 34.31 H new ATOM 1885 N GLN A 113 -34.356 14.345 3.804 1.00 61.13 N ATOM 1886 CA GLN A 113 -35.727 14.229 3.320 1.00 4.11 C ATOM 1887 C GLN A 113 -35.772 13.501 1.981 1.00 44.23 C ATOM 1888 O GLN A 113 -36.800 12.941 1.602 1.00 41.43 O ATOM 1889 CB GLN A 113 -36.360 15.615 3.183 1.00 71.44 C ATOM 1890 CG GLN A 113 -37.655 15.772 3.963 1.00 21.23 C ATOM 1891 CD GLN A 113 -37.540 16.784 5.086 1.00 53.10 C ATOM 1892 OE1 GLN A 113 -36.653 16.690 5.934 1.00 22.33 O ATOM 1893 NE2 GLN A 113 -38.440 17.761 5.097 1.00 61.31 N ATOM 0 H GLN A 113 -33.972 15.289 3.763 1.00 61.13 H new ATOM 0 HA GLN A 113 -36.295 13.648 4.047 1.00 4.11 H new ATOM 0 HB2 GLN A 113 -35.647 16.366 3.523 1.00 71.44 H new ATOM 0 HB3 GLN A 113 -36.554 15.814 2.129 1.00 71.44 H new ATOM 0 HG2 GLN A 113 -38.450 16.078 3.283 1.00 21.23 H new ATOM 0 HG3 GLN A 113 -37.945 14.806 4.377 1.00 21.23 H new ATOM 0 HE21 GLN A 113 -39.158 17.801 4.374 1.00 61.31 H new ATOM 0 HE22 GLN A 113 -38.413 18.471 5.828 1.00 61.31 H new ATOM 1902 N ALA A 114 -34.650 13.514 1.268 1.00 21.41 N ATOM 1903 CA ALA A 114 -34.561 12.853 -0.028 1.00 50.33 C ATOM 1904 C ALA A 114 -34.401 11.345 0.133 1.00 11.54 C ATOM 1905 O ALA A 114 -34.749 10.574 -0.761 1.00 14.03 O ATOM 1906 CB ALA A 114 -33.404 13.425 -0.834 1.00 1.42 C ATOM 0 H ALA A 114 -33.790 13.975 1.566 1.00 21.41 H new ATOM 0 HA ALA A 114 -35.491 13.037 -0.566 1.00 50.33 H new ATOM 0 HB1 ALA A 114 -33.349 12.922 -1.799 1.00 1.42 H new ATOM 0 HB2 ALA A 114 -33.561 14.492 -0.989 1.00 1.42 H new ATOM 0 HB3 ALA A 114 -32.471 13.271 -0.291 1.00 1.42 H new ATOM 1912 N LYS A 115 -33.871 10.931 1.279 1.00 33.13 N ATOM 1913 CA LYS A 115 -33.665 9.515 1.560 1.00 72.05 C ATOM 1914 C LYS A 115 -34.829 8.945 2.364 1.00 25.45 C ATOM 1915 O LYS A 115 -35.007 9.277 3.536 1.00 2.23 O ATOM 1916 CB LYS A 115 -32.354 9.311 2.323 1.00 74.44 C ATOM 1917 CG LYS A 115 -31.900 7.862 2.374 1.00 51.11 C ATOM 1918 CD LYS A 115 -30.966 7.530 1.223 1.00 63.32 C ATOM 1919 CE LYS A 115 -31.643 6.635 0.196 1.00 41.44 C ATOM 1920 NZ LYS A 115 -31.113 6.867 -1.177 1.00 24.54 N ATOM 0 H LYS A 115 -33.576 11.557 2.029 1.00 33.13 H new ATOM 0 HA LYS A 115 -33.610 8.985 0.609 1.00 72.05 H new ATOM 0 HB2 LYS A 115 -31.574 9.911 1.855 1.00 74.44 H new ATOM 0 HB3 LYS A 115 -32.474 9.682 3.341 1.00 74.44 H new ATOM 0 HG2 LYS A 115 -31.395 7.671 3.321 1.00 51.11 H new ATOM 0 HG3 LYS A 115 -32.770 7.206 2.339 1.00 51.11 H new ATOM 0 HD2 LYS A 115 -30.636 8.452 0.743 1.00 63.32 H new ATOM 0 HD3 LYS A 115 -30.075 7.034 1.608 1.00 63.32 H new ATOM 0 HE2 LYS A 115 -31.495 5.591 0.471 1.00 41.44 H new ATOM 0 HE3 LYS A 115 -32.717 6.818 0.206 1.00 41.44 H new ATOM 0 HZ1 LYS A 115 -31.599 6.238 -1.848 1.00 24.54 H new ATOM 0 HZ2 LYS A 115 -31.277 7.857 -1.450 1.00 24.54 H new ATOM 0 HZ3 LYS A 115 -30.092 6.668 -1.193 1.00 24.54 H new ATOM 1934 N ARG A 116 -35.616 8.084 1.729 1.00 73.44 N ATOM 1935 CA ARG A 116 -36.762 7.467 2.386 1.00 11.02 C ATOM 1936 C ARG A 116 -37.499 8.480 3.258 1.00 41.14 C ATOM 1937 O ARG A 116 -38.659 8.803 3.004 1.00 14.43 O ATOM 1938 CB ARG A 116 -36.310 6.279 3.238 1.00 52.14 C ATOM 1939 CG ARG A 116 -35.609 6.684 4.524 1.00 65.42 C ATOM 1940 CD ARG A 116 -35.344 5.481 5.416 1.00 65.12 C ATOM 1941 NE ARG A 116 -36.556 5.018 6.085 1.00 73.21 N ATOM 1942 CZ ARG A 116 -36.580 4.007 6.947 1.00 41.32 C ATOM 1943 NH1 ARG A 116 -35.463 3.358 7.243 1.00 65.00 N ATOM 1944 NH2 ARG A 116 -37.723 3.645 7.515 1.00 60.11 N ATOM 0 H ARG A 116 -35.481 7.797 0.759 1.00 73.44 H new ATOM 0 HA ARG A 116 -37.445 7.113 1.613 1.00 11.02 H new ATOM 0 HB2 ARG A 116 -37.178 5.668 3.484 1.00 52.14 H new ATOM 0 HB3 ARG A 116 -35.638 5.655 2.649 1.00 52.14 H new ATOM 0 HG2 ARG A 116 -34.666 7.177 4.286 1.00 65.42 H new ATOM 0 HG3 ARG A 116 -36.221 7.409 5.061 1.00 65.42 H new ATOM 0 HD2 ARG A 116 -34.928 4.670 4.817 1.00 65.12 H new ATOM 0 HD3 ARG A 116 -34.595 5.742 6.163 1.00 65.12 H new ATOM 0 HE ARG A 116 -37.433 5.497 5.879 1.00 73.21 H new ATOM 0 HH11 ARG A 116 -34.582 3.634 6.809 1.00 65.00 H new ATOM 0 HH12 ARG A 116 -35.484 2.582 7.905 1.00 65.00 H new ATOM 0 HH21 ARG A 116 -38.584 4.143 7.290 1.00 60.11 H new ATOM 0 HH22 ARG A 116 -37.740 2.869 8.177 1.00 60.11 H new TER 1958 ARG A 116