USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 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 93 ASN : amide:sc= -1.06 K(o=-2.1,f=-9.5!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 166:sc= -1.05 (180deg=-1.46) USER MOD Single : A 3 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.676) USER MOD Single : A 4 GLN : amide:sc= -3.03! C(o=-3!,f=-2.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00537) USER MOD Single : A 28 SER OG : rot 41:sc= 0.249 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= -0.521 (180deg=-0.537) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= -1.29 (180deg=-3.68!) USER MOD Single : A 43 HIS : no HD1:sc= -0.784 K(o=-0.78,f=-0.16) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 104:sc= 1.13 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0867) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.79! K(o=-2.8!,f=-2.1) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 70:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.0359 (180deg=-0.344) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.819 USER MOD Single : A 76 THR OG1 : rot -58:sc= -0.489! USER MOD Single : A 78 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0.15 (180deg=0.0619) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.33) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 119:sc= 1.12 USER MOD Single : A 94 LYS NZ :NH3+ -118:sc= 0.418 (180deg=-0.844!) USER MOD Single : A 100 THR OG1 : rot 77:sc= 0.21 USER MOD Single : A 102 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.8!) USER MOD Single : B 5 TYR OH : rot -2:sc= -5.88! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.928 -1.751 8.944 1.00 0.24 N ATOM 21 CA VAL A 2 -2.616 -1.667 8.236 1.00 0.19 C ATOM 22 C VAL A 2 -1.828 -2.964 8.461 1.00 0.22 C ATOM 23 O VAL A 2 -2.146 -3.751 9.329 1.00 0.28 O ATOM 24 CB VAL A 2 -1.821 -0.481 8.792 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.479 -0.369 8.063 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.622 0.810 8.586 1.00 0.30 C ATOM 0 HA VAL A 2 -2.783 -1.528 7.168 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.641 -0.635 9.856 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.082 0.476 8.462 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.092 -1.286 8.209 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.655 -0.217 6.998 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.058 1.655 8.981 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.803 0.960 7.522 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.575 0.734 9.109 1.00 0.30 H new ATOM 36 N LYS A 3 -0.801 -3.191 7.684 1.00 0.18 N ATOM 37 CA LYS A 3 0.012 -4.435 7.851 1.00 0.22 C ATOM 38 C LYS A 3 1.423 -4.188 7.312 1.00 0.16 C ATOM 39 O LYS A 3 1.603 -3.693 6.217 1.00 0.13 O ATOM 40 CB LYS A 3 -0.634 -5.586 7.070 1.00 0.26 C ATOM 41 CG LYS A 3 -0.013 -6.918 7.502 1.00 0.34 C ATOM 42 CD LYS A 3 -0.835 -8.073 6.927 1.00 0.81 C ATOM 43 CE LYS A 3 -0.252 -9.406 7.402 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.243 -10.494 7.164 1.00 1.97 N ATOM 0 H LYS A 3 -0.489 -2.568 6.939 1.00 0.18 H new ATOM 0 HA LYS A 3 0.059 -4.699 8.908 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.709 -5.601 7.248 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.490 -5.437 6.000 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.018 -6.982 7.153 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.015 -6.983 8.590 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.874 -7.986 7.244 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.829 -8.030 5.838 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.675 -9.620 6.869 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.005 -9.350 8.462 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -1.191 -11.187 7.938 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -2.200 -10.089 7.126 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.030 -10.966 6.262 1.00 1.97 H new ATOM 58 N GLN A 4 2.431 -4.522 8.077 1.00 0.18 N ATOM 59 CA GLN A 4 3.833 -4.298 7.613 1.00 0.15 C ATOM 60 C GLN A 4 4.322 -5.523 6.831 1.00 0.13 C ATOM 61 O GLN A 4 4.091 -6.654 7.210 1.00 0.14 O ATOM 62 CB GLN A 4 4.736 -4.057 8.836 1.00 0.20 C ATOM 63 CG GLN A 4 6.213 -4.274 8.464 1.00 0.21 C ATOM 64 CD GLN A 4 7.115 -3.580 9.489 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.882 -3.671 10.677 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.139 -2.886 9.074 1.00 0.98 N ATOM 0 H GLN A 4 2.343 -4.940 9.003 1.00 0.18 H new ATOM 0 HA GLN A 4 3.869 -3.427 6.959 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.593 -3.042 9.207 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.454 -4.734 9.643 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.436 -5.340 8.433 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.408 -3.878 7.467 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.333 -2.811 8.075 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.745 -2.419 9.748 1.00 0.98 H new ATOM 75 N ILE A 5 5.009 -5.287 5.744 1.00 0.10 N ATOM 76 CA ILE A 5 5.548 -6.403 4.907 1.00 0.10 C ATOM 77 C ILE A 5 7.074 -6.286 4.862 1.00 0.10 C ATOM 78 O ILE A 5 7.622 -5.585 4.033 1.00 0.11 O ATOM 79 CB ILE A 5 5.001 -6.273 3.481 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.481 -5.988 3.495 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.305 -7.545 2.686 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.686 -7.120 4.168 1.00 0.19 C ATOM 0 H ILE A 5 5.223 -4.353 5.394 1.00 0.10 H new ATOM 0 HA ILE A 5 5.252 -7.363 5.330 1.00 0.10 H new ATOM 0 HB ILE A 5 5.494 -5.430 2.997 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.293 -5.052 4.020 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.128 -5.856 2.472 1.00 0.12 H new ATOM 0 HG21 ILE A 5 4.913 -7.444 1.674 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.383 -7.699 2.644 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.836 -8.400 3.173 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.624 -6.876 4.155 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.851 -8.052 3.627 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.019 -7.235 5.200 1.00 0.19 H new ATOM 94 N GLU A 6 7.768 -6.952 5.744 1.00 0.11 N ATOM 95 CA GLU A 6 9.261 -6.862 5.746 1.00 0.14 C ATOM 96 C GLU A 6 9.846 -8.051 4.983 1.00 0.14 C ATOM 97 O GLU A 6 11.048 -8.179 4.848 1.00 0.17 O ATOM 98 CB GLU A 6 9.767 -6.897 7.191 1.00 0.18 C ATOM 99 CG GLU A 6 9.602 -5.517 7.835 1.00 0.31 C ATOM 100 CD GLU A 6 9.923 -5.609 9.328 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.673 -6.497 9.699 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.417 -4.786 10.074 1.00 1.96 O ATOM 0 H GLU A 6 7.369 -7.555 6.464 1.00 0.11 H new ATOM 0 HA GLU A 6 9.569 -5.932 5.267 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.213 -7.643 7.761 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.815 -7.194 7.211 1.00 0.18 H new ATOM 0 HG2 GLU A 6 10.264 -4.798 7.353 1.00 0.31 H new ATOM 0 HG3 GLU A 6 8.583 -5.157 7.693 1.00 0.31 H new ATOM 109 N SER A 7 9.016 -8.931 4.488 1.00 0.13 N ATOM 110 CA SER A 7 9.544 -10.110 3.744 1.00 0.15 C ATOM 111 C SER A 7 8.519 -10.585 2.711 1.00 0.14 C ATOM 112 O SER A 7 7.325 -10.479 2.909 1.00 0.12 O ATOM 113 CB SER A 7 9.836 -11.238 4.729 1.00 0.20 C ATOM 114 OG SER A 7 8.661 -11.527 5.476 1.00 0.23 O ATOM 0 H SER A 7 8.000 -8.884 4.567 1.00 0.13 H new ATOM 0 HA SER A 7 10.460 -9.825 3.227 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.168 -12.127 4.193 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.645 -10.950 5.400 1.00 0.20 H new ATOM 0 HG SER A 7 8.846 -12.253 6.108 1.00 0.23 H new ATOM 120 N LYS A 8 8.982 -11.109 1.607 1.00 0.15 N ATOM 121 CA LYS A 8 8.044 -11.596 0.556 1.00 0.14 C ATOM 122 C LYS A 8 7.028 -12.557 1.177 1.00 0.14 C ATOM 123 O LYS A 8 5.911 -12.677 0.718 1.00 0.13 O ATOM 124 CB LYS A 8 8.838 -12.320 -0.540 1.00 0.17 C ATOM 125 CG LYS A 8 8.002 -12.398 -1.822 1.00 0.21 C ATOM 126 CD LYS A 8 8.632 -13.408 -2.789 1.00 0.22 C ATOM 127 CE LYS A 8 8.088 -13.177 -4.200 1.00 1.06 C ATOM 128 NZ LYS A 8 8.592 -14.244 -5.109 1.00 1.90 N ATOM 0 H LYS A 8 9.972 -11.221 1.388 1.00 0.15 H new ATOM 0 HA LYS A 8 7.515 -10.748 0.121 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.771 -11.791 -0.735 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.104 -13.323 -0.207 1.00 0.17 H new ATOM 0 HG2 LYS A 8 6.981 -12.696 -1.584 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.946 -11.416 -2.292 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.717 -13.302 -2.785 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.410 -14.425 -2.465 1.00 0.22 H new ATOM 0 HE2 LYS A 8 6.998 -13.182 -4.186 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.398 -12.198 -4.565 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 8.222 -14.086 -6.068 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.631 -14.219 -5.131 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.275 -15.172 -4.764 1.00 1.90 H new ATOM 142 N THR A 9 7.405 -13.247 2.216 1.00 0.16 N ATOM 143 CA THR A 9 6.456 -14.198 2.858 1.00 0.18 C ATOM 144 C THR A 9 5.227 -13.436 3.358 1.00 0.16 C ATOM 145 O THR A 9 4.104 -13.853 3.162 1.00 0.17 O ATOM 146 CB THR A 9 7.143 -14.887 4.030 1.00 0.21 C ATOM 147 OG1 THR A 9 8.210 -15.689 3.543 1.00 0.24 O ATOM 148 CG2 THR A 9 6.137 -15.767 4.775 1.00 0.25 C ATOM 0 H THR A 9 8.327 -13.194 2.648 1.00 0.16 H new ATOM 0 HA THR A 9 6.144 -14.947 2.130 1.00 0.18 H new ATOM 0 HB THR A 9 7.534 -14.135 4.715 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.655 -16.133 4.295 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.633 -16.258 5.612 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.320 -15.150 5.148 1.00 0.25 H new ATOM 0 HG23 THR A 9 5.740 -16.521 4.096 1.00 0.25 H new ATOM 156 N ALA A 10 5.433 -12.324 4.005 1.00 0.16 N ATOM 157 CA ALA A 10 4.281 -11.531 4.521 1.00 0.17 C ATOM 158 C ALA A 10 3.514 -10.915 3.347 1.00 0.15 C ATOM 159 O ALA A 10 2.329 -10.666 3.433 1.00 0.17 O ATOM 160 CB ALA A 10 4.799 -10.420 5.436 1.00 0.20 C ATOM 0 H ALA A 10 6.352 -11.928 4.200 1.00 0.16 H new ATOM 0 HA ALA A 10 3.613 -12.183 5.084 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.958 -9.839 5.815 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.341 -10.861 6.273 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.467 -9.768 4.874 1.00 0.20 H new ATOM 166 N PHE A 11 4.176 -10.669 2.248 1.00 0.12 N ATOM 167 CA PHE A 11 3.472 -10.068 1.077 1.00 0.11 C ATOM 168 C PHE A 11 2.324 -10.980 0.648 1.00 0.13 C ATOM 169 O PHE A 11 1.172 -10.618 0.740 1.00 0.16 O ATOM 170 CB PHE A 11 4.453 -9.898 -0.089 1.00 0.10 C ATOM 171 CG PHE A 11 3.713 -9.392 -1.309 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.238 -8.067 -1.345 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.501 -10.247 -2.410 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.552 -7.596 -2.483 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.815 -9.777 -3.545 1.00 0.18 C ATOM 176 CZ PHE A 11 2.341 -8.450 -3.582 1.00 0.21 C ATOM 0 H PHE A 11 5.169 -10.857 2.110 1.00 0.12 H new ATOM 0 HA PHE A 11 3.077 -9.092 1.359 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.242 -9.198 0.186 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.935 -10.850 -0.313 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.399 -7.412 -0.502 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.865 -11.263 -2.382 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.188 -6.580 -2.512 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.652 -10.433 -4.388 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.816 -8.088 -4.454 1.00 0.21 H new ATOM 186 N GLN A 12 2.631 -12.156 0.174 1.00 0.15 N ATOM 187 CA GLN A 12 1.552 -13.084 -0.270 1.00 0.19 C ATOM 188 C GLN A 12 0.560 -13.310 0.872 1.00 0.17 C ATOM 189 O GLN A 12 -0.639 -13.255 0.683 1.00 0.16 O ATOM 190 CB GLN A 12 2.167 -14.423 -0.681 1.00 0.24 C ATOM 191 CG GLN A 12 3.146 -14.200 -1.835 1.00 1.21 C ATOM 192 CD GLN A 12 3.780 -15.534 -2.234 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.983 -15.634 -2.359 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.013 -16.570 -2.442 1.00 2.47 N ATOM 0 H GLN A 12 3.581 -12.514 0.075 1.00 0.15 H new ATOM 0 HA GLN A 12 1.029 -12.645 -1.120 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.683 -14.874 0.166 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.384 -15.118 -0.983 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.626 -13.763 -2.688 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.920 -13.492 -1.537 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.002 -16.485 -2.337 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.425 -17.464 -2.710 1.00 2.47 H new ATOM 203 N GLU A 13 1.044 -13.566 2.055 1.00 0.19 N ATOM 204 CA GLU A 13 0.122 -13.795 3.198 1.00 0.20 C ATOM 205 C GLU A 13 -0.779 -12.571 3.386 1.00 0.18 C ATOM 206 O GLU A 13 -1.930 -12.694 3.755 1.00 0.19 O ATOM 207 CB GLU A 13 0.942 -14.042 4.468 1.00 0.25 C ATOM 208 CG GLU A 13 1.431 -15.494 4.499 1.00 0.30 C ATOM 209 CD GLU A 13 2.195 -15.748 5.799 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.889 -14.847 6.240 1.00 2.10 O ATOM 211 OE2 GLU A 13 2.073 -16.839 6.333 1.00 2.03 O ATOM 0 H GLU A 13 2.037 -13.626 2.278 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.502 -14.666 2.997 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.793 -13.362 4.500 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.335 -13.835 5.349 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.584 -16.176 4.424 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.075 -15.690 3.642 1.00 0.30 H new ATOM 218 N ALA A 14 -0.276 -11.393 3.134 1.00 0.18 N ATOM 219 CA ALA A 14 -1.125 -10.179 3.299 1.00 0.18 C ATOM 220 C ALA A 14 -2.315 -10.267 2.335 1.00 0.18 C ATOM 221 O ALA A 14 -3.448 -10.045 2.707 1.00 0.19 O ATOM 222 CB ALA A 14 -0.300 -8.931 2.989 1.00 0.20 C ATOM 0 H ALA A 14 0.680 -11.219 2.823 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.489 -10.119 4.325 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.922 -8.044 3.110 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.547 -8.876 3.672 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.064 -8.981 1.963 1.00 0.20 H new ATOM 228 N LEU A 15 -2.058 -10.599 1.097 1.00 0.17 N ATOM 229 CA LEU A 15 -3.165 -10.715 0.098 1.00 0.18 C ATOM 230 C LEU A 15 -4.109 -11.844 0.515 1.00 0.18 C ATOM 231 O LEU A 15 -5.314 -11.699 0.481 1.00 0.18 O ATOM 232 CB LEU A 15 -2.571 -11.017 -1.284 1.00 0.19 C ATOM 233 CG LEU A 15 -1.295 -10.192 -1.492 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.824 -10.333 -2.943 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.577 -8.714 -1.190 1.00 0.62 C ATOM 0 H LEU A 15 -1.126 -10.796 0.732 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.722 -9.779 0.055 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.346 -12.080 -1.369 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.298 -10.782 -2.062 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.519 -10.557 -0.819 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.083 -9.746 -3.090 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.617 -11.381 -3.158 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.603 -9.972 -3.615 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.667 -8.132 -1.339 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.356 -8.348 -1.859 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.908 -8.611 -0.157 1.00 0.62 H new ATOM 247 N ASP A 16 -3.574 -12.965 0.912 1.00 0.19 N ATOM 248 CA ASP A 16 -4.446 -14.095 1.334 1.00 0.21 C ATOM 249 C ASP A 16 -5.232 -13.681 2.580 1.00 0.20 C ATOM 250 O ASP A 16 -6.389 -14.019 2.739 1.00 0.20 O ATOM 251 CB ASP A 16 -3.582 -15.317 1.659 1.00 0.24 C ATOM 252 CG ASP A 16 -4.482 -16.485 2.069 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.885 -16.520 3.220 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.751 -17.324 1.225 1.00 1.09 O ATOM 0 H ASP A 16 -2.572 -13.147 0.962 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.136 -14.346 0.528 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.983 -15.593 0.791 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.887 -15.080 2.464 1.00 0.24 H new ATOM 259 N ALA A 17 -4.612 -12.950 3.465 1.00 0.22 N ATOM 260 CA ALA A 17 -5.319 -12.512 4.701 1.00 0.24 C ATOM 261 C ALA A 17 -6.202 -11.302 4.383 1.00 0.21 C ATOM 262 O ALA A 17 -7.095 -10.961 5.133 1.00 0.22 O ATOM 263 CB ALA A 17 -4.290 -12.122 5.764 1.00 0.30 C ATOM 0 H ALA A 17 -3.645 -12.637 3.385 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.939 -13.328 5.073 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.806 -11.801 6.669 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.658 -12.981 5.991 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.672 -11.306 5.390 1.00 0.30 H new ATOM 269 N ALA A 18 -5.961 -10.651 3.277 1.00 0.21 N ATOM 270 CA ALA A 18 -6.788 -9.465 2.917 1.00 0.22 C ATOM 271 C ALA A 18 -8.210 -9.917 2.575 1.00 0.21 C ATOM 272 O ALA A 18 -9.118 -9.117 2.471 1.00 0.24 O ATOM 273 CB ALA A 18 -6.172 -8.760 1.708 1.00 0.23 C ATOM 0 H ALA A 18 -5.228 -10.889 2.609 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.820 -8.776 3.761 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.777 -7.893 1.445 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.160 -8.436 1.952 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.138 -9.448 0.864 1.00 0.23 H new ATOM 279 N GLY A 19 -8.411 -11.195 2.407 1.00 0.22 N ATOM 280 CA GLY A 19 -9.775 -11.698 2.078 1.00 0.24 C ATOM 281 C GLY A 19 -10.144 -11.310 0.645 1.00 0.20 C ATOM 282 O GLY A 19 -9.610 -11.840 -0.309 1.00 0.28 O ATOM 0 H GLY A 19 -7.690 -11.913 2.483 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.809 -12.782 2.190 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.503 -11.282 2.775 1.00 0.24 H new ATOM 286 N ASP A 20 -11.066 -10.391 0.488 1.00 0.13 N ATOM 287 CA ASP A 20 -11.493 -9.964 -0.882 1.00 0.18 C ATOM 288 C ASP A 20 -11.612 -8.436 -0.923 1.00 0.15 C ATOM 289 O ASP A 20 -11.929 -7.859 -1.944 1.00 0.22 O ATOM 290 CB ASP A 20 -12.853 -10.602 -1.198 1.00 0.26 C ATOM 291 CG ASP A 20 -13.458 -9.975 -2.459 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.698 -9.566 -3.319 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.674 -9.914 -2.540 1.00 2.19 O ATOM 0 H ASP A 20 -11.544 -9.916 1.254 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.759 -10.284 -1.621 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.734 -11.676 -1.340 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.531 -10.465 -0.355 1.00 0.26 H new ATOM 298 N LYS A 21 -11.353 -7.767 0.166 1.00 0.12 N ATOM 299 CA LYS A 21 -11.450 -6.285 0.147 1.00 0.19 C ATOM 300 C LYS A 21 -10.326 -5.737 -0.729 1.00 0.15 C ATOM 301 O LYS A 21 -9.371 -6.427 -1.027 1.00 0.15 O ATOM 302 CB LYS A 21 -11.302 -5.750 1.572 1.00 0.27 C ATOM 303 CG LYS A 21 -12.631 -5.894 2.314 1.00 0.29 C ATOM 304 CD LYS A 21 -12.402 -5.698 3.812 1.00 0.30 C ATOM 305 CE LYS A 21 -13.736 -5.416 4.497 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.509 -5.179 5.950 1.00 1.90 N ATOM 0 H LYS A 21 -11.081 -8.179 1.059 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.416 -5.974 -0.252 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.519 -6.297 2.097 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -10.998 -4.703 1.549 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.347 -5.159 1.946 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.060 -6.879 2.127 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.942 -6.589 4.240 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.712 -4.871 3.980 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.212 -4.545 4.046 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.414 -6.258 4.357 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.416 -4.970 6.414 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.089 -6.028 6.379 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.863 -4.373 6.074 1.00 1.90 H new ATOM 320 N LEU A 22 -10.422 -4.506 -1.147 1.00 0.13 N ATOM 321 CA LEU A 22 -9.347 -3.944 -2.002 1.00 0.11 C ATOM 322 C LEU A 22 -8.041 -3.948 -1.192 1.00 0.10 C ATOM 323 O LEU A 22 -8.060 -4.084 0.015 1.00 0.11 O ATOM 324 CB LEU A 22 -9.735 -2.506 -2.417 1.00 0.12 C ATOM 325 CG LEU A 22 -9.430 -2.241 -3.909 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.781 -0.773 -4.244 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.944 -2.508 -4.212 1.00 0.11 C ATOM 0 H LEU A 22 -11.192 -3.872 -0.935 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.211 -4.538 -2.906 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.797 -2.347 -2.228 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.191 -1.790 -1.801 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.031 -2.913 -4.522 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.568 -0.579 -5.295 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.839 -0.598 -4.050 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.183 -0.105 -3.624 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.748 -2.316 -5.267 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.324 -1.850 -3.602 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.707 -3.547 -3.982 1.00 0.11 H new ATOM 339 N VAL A 23 -6.911 -3.806 -1.836 1.00 0.08 N ATOM 340 CA VAL A 23 -5.615 -3.812 -1.091 1.00 0.09 C ATOM 341 C VAL A 23 -4.645 -2.821 -1.731 1.00 0.08 C ATOM 342 O VAL A 23 -4.124 -3.059 -2.801 1.00 0.09 O ATOM 343 CB VAL A 23 -5.006 -5.214 -1.156 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.839 -5.309 -0.172 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.068 -6.255 -0.791 1.00 0.10 C ATOM 0 H VAL A 23 -6.829 -3.686 -2.846 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.795 -3.527 -0.054 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.647 -5.405 -2.167 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.405 -6.308 -0.218 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.081 -4.571 -0.434 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.199 -5.116 0.839 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.631 -7.252 -0.838 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.431 -6.065 0.219 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.899 -6.189 -1.494 1.00 0.10 H new ATOM 355 N VAL A 24 -4.382 -1.716 -1.074 1.00 0.08 N ATOM 356 CA VAL A 24 -3.428 -0.707 -1.630 1.00 0.08 C ATOM 357 C VAL A 24 -2.099 -0.828 -0.884 1.00 0.08 C ATOM 358 O VAL A 24 -2.061 -0.920 0.326 1.00 0.08 O ATOM 359 CB VAL A 24 -4.004 0.701 -1.452 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.262 1.681 -2.364 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.491 0.695 -1.815 1.00 0.09 C ATOM 0 H VAL A 24 -4.790 -1.470 -0.172 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.270 -0.887 -2.693 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.883 1.010 -0.414 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.674 2.682 -2.235 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.203 1.689 -2.105 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.379 1.372 -3.403 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.901 1.697 -1.688 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.611 0.383 -2.852 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.022 0.001 -1.163 1.00 0.09 H new ATOM 371 N VAL A 25 -1.008 -0.848 -1.605 1.00 0.09 N ATOM 372 CA VAL A 25 0.337 -0.984 -0.959 1.00 0.09 C ATOM 373 C VAL A 25 1.104 0.326 -1.087 1.00 0.10 C ATOM 374 O VAL A 25 1.113 0.945 -2.127 1.00 0.17 O ATOM 375 CB VAL A 25 1.122 -2.088 -1.673 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.303 -2.525 -0.807 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.200 -3.282 -1.925 1.00 0.09 C ATOM 0 H VAL A 25 -0.989 -0.775 -2.622 1.00 0.09 H new ATOM 0 HA VAL A 25 0.210 -1.231 0.095 1.00 0.09 H new ATOM 0 HB VAL A 25 1.497 -1.709 -2.624 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.859 -3.311 -1.319 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.959 -1.673 -0.630 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.935 -2.904 0.146 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.756 -4.070 -2.433 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.176 -3.659 -0.974 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.638 -2.969 -2.548 1.00 0.09 H new ATOM 387 N ASP A 26 1.757 0.744 -0.037 1.00 0.08 N ATOM 388 CA ASP A 26 2.543 2.014 -0.084 1.00 0.08 C ATOM 389 C ASP A 26 4.035 1.683 -0.063 1.00 0.08 C ATOM 390 O ASP A 26 4.590 1.344 0.963 1.00 0.09 O ATOM 391 CB ASP A 26 2.194 2.870 1.134 1.00 0.09 C ATOM 392 CG ASP A 26 3.112 4.095 1.180 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.578 4.503 0.129 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.337 4.603 2.267 1.00 0.93 O ATOM 0 H ASP A 26 1.781 0.257 0.859 1.00 0.08 H new ATOM 0 HA ASP A 26 2.303 2.562 -0.995 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.152 3.185 1.083 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.306 2.285 2.047 1.00 0.09 H new ATOM 399 N PHE A 27 4.693 1.791 -1.184 1.00 0.08 N ATOM 400 CA PHE A 27 6.150 1.498 -1.223 1.00 0.09 C ATOM 401 C PHE A 27 6.897 2.778 -0.855 1.00 0.11 C ATOM 402 O PHE A 27 7.372 3.494 -1.714 1.00 0.13 O ATOM 403 CB PHE A 27 6.542 1.082 -2.641 1.00 0.10 C ATOM 404 CG PHE A 27 6.183 -0.366 -2.886 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.851 -0.735 -3.172 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.188 -1.348 -2.843 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.532 -2.088 -3.413 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.871 -2.697 -3.086 1.00 0.21 C ATOM 409 CZ PHE A 27 5.543 -3.067 -3.370 1.00 0.23 C ATOM 0 H PHE A 27 4.282 2.070 -2.075 1.00 0.08 H new ATOM 0 HA PHE A 27 6.397 0.695 -0.528 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.033 1.717 -3.366 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.613 1.227 -2.786 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.077 0.017 -3.206 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.207 -1.066 -2.623 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.513 -2.373 -3.630 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.646 -3.448 -3.055 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.299 -4.103 -3.555 1.00 0.23 H new ATOM 419 N SER A 28 6.982 3.075 0.417 1.00 0.11 N ATOM 420 CA SER A 28 7.684 4.319 0.869 1.00 0.12 C ATOM 421 C SER A 28 8.928 3.942 1.668 1.00 0.10 C ATOM 422 O SER A 28 8.959 2.943 2.358 1.00 0.11 O ATOM 423 CB SER A 28 6.745 5.134 1.755 1.00 0.17 C ATOM 424 OG SER A 28 5.625 5.558 0.988 1.00 1.03 O ATOM 0 H SER A 28 6.593 2.506 1.169 1.00 0.11 H new ATOM 0 HA SER A 28 7.975 4.908 -0.001 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.414 4.534 2.602 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.270 5.998 2.162 1.00 0.17 H new ATOM 0 HG SER A 28 5.332 4.827 0.405 1.00 1.03 H new ATOM 430 N ALA A 29 9.955 4.744 1.593 1.00 0.10 N ATOM 431 CA ALA A 29 11.198 4.447 2.361 1.00 0.15 C ATOM 432 C ALA A 29 11.113 5.147 3.723 1.00 0.18 C ATOM 433 O ALA A 29 10.935 6.345 3.805 1.00 0.26 O ATOM 434 CB ALA A 29 12.407 4.964 1.573 1.00 0.19 C ATOM 0 H ALA A 29 9.987 5.595 1.031 1.00 0.10 H new ATOM 0 HA ALA A 29 11.307 3.373 2.514 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.321 4.751 2.128 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.448 4.469 0.603 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.313 6.040 1.428 1.00 0.19 H new ATOM 440 N THR A 30 11.226 4.405 4.790 1.00 0.18 N ATOM 441 CA THR A 30 11.135 5.024 6.148 1.00 0.23 C ATOM 442 C THR A 30 12.320 5.965 6.384 1.00 0.26 C ATOM 443 O THR A 30 12.269 6.838 7.229 1.00 0.31 O ATOM 444 CB THR A 30 11.144 3.922 7.211 1.00 0.26 C ATOM 445 OG1 THR A 30 11.164 4.515 8.503 1.00 0.32 O ATOM 446 CG2 THR A 30 12.381 3.041 7.032 1.00 0.28 C ATOM 0 H THR A 30 11.377 3.396 4.783 1.00 0.18 H new ATOM 0 HA THR A 30 10.209 5.596 6.214 1.00 0.23 H new ATOM 0 HB THR A 30 10.250 3.308 7.104 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.168 3.812 9.186 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.383 2.258 7.791 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.364 2.586 6.042 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.279 3.650 7.136 1.00 0.28 H new ATOM 454 N TRP A 31 13.390 5.795 5.657 1.00 0.26 N ATOM 455 CA TRP A 31 14.579 6.682 5.855 1.00 0.32 C ATOM 456 C TRP A 31 14.455 7.924 4.972 1.00 0.32 C ATOM 457 O TRP A 31 15.141 8.907 5.166 1.00 0.36 O ATOM 458 CB TRP A 31 15.849 5.916 5.472 1.00 0.34 C ATOM 459 CG TRP A 31 15.860 5.655 4.003 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.447 4.512 3.412 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.293 6.538 2.930 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.612 4.631 2.042 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.123 5.863 1.693 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.816 7.850 2.909 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.460 6.469 0.475 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.154 8.465 1.688 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.976 7.775 0.471 1.00 0.40 C ATOM 0 H TRP A 31 13.496 5.082 4.935 1.00 0.26 H new ATOM 0 HA TRP A 31 14.630 6.987 6.900 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.731 6.491 5.755 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.895 4.974 6.018 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.053 3.647 3.924 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.383 3.896 1.372 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.958 8.385 3.836 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.324 5.935 -0.454 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.551 9.469 1.684 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.236 8.251 -0.463 1.00 0.40 H new ATOM 478 N CYS A 32 13.600 7.879 3.988 1.00 0.28 N ATOM 479 CA CYS A 32 13.445 9.044 3.067 1.00 0.30 C ATOM 480 C CYS A 32 12.347 9.982 3.580 1.00 0.31 C ATOM 481 O CYS A 32 11.297 9.555 4.017 1.00 0.29 O ATOM 482 CB CYS A 32 13.091 8.510 1.676 1.00 0.28 C ATOM 483 SG CYS A 32 13.624 9.690 0.410 1.00 0.32 S ATOM 0 H CYS A 32 12.998 7.082 3.780 1.00 0.28 H new ATOM 0 HA CYS A 32 14.374 9.613 3.019 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.573 7.546 1.513 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.016 8.345 1.603 1.00 0.28 H new ATOM 488 N GLY A 33 12.602 11.262 3.537 1.00 0.34 N ATOM 489 CA GLY A 33 11.608 12.260 4.025 1.00 0.36 C ATOM 490 C GLY A 33 10.425 12.400 3.053 1.00 0.35 C ATOM 491 O GLY A 33 9.295 12.215 3.451 1.00 0.33 O ATOM 0 H GLY A 33 13.469 11.663 3.179 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.240 11.959 5.006 1.00 0.36 H new ATOM 0 HA3 GLY A 33 12.094 13.228 4.150 1.00 0.36 H new ATOM 495 N PRO A 34 10.700 12.753 1.814 1.00 0.37 N ATOM 496 CA PRO A 34 9.634 12.948 0.810 1.00 0.38 C ATOM 497 C PRO A 34 8.667 11.756 0.781 1.00 0.35 C ATOM 498 O PRO A 34 7.487 11.917 0.538 1.00 0.36 O ATOM 499 CB PRO A 34 10.387 13.111 -0.531 1.00 0.42 C ATOM 500 CG PRO A 34 11.883 13.359 -0.180 1.00 0.44 C ATOM 501 CD PRO A 34 12.071 12.988 1.310 1.00 0.40 C ATOM 0 HA PRO A 34 9.010 13.814 1.032 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.277 12.218 -1.147 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.981 13.945 -1.103 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.532 12.753 -0.812 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.151 14.401 -0.354 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.692 12.099 1.422 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.563 13.791 1.859 1.00 0.40 H new ATOM 509 N ALA A 35 9.142 10.569 1.025 1.00 0.33 N ATOM 510 CA ALA A 35 8.225 9.393 1.006 1.00 0.32 C ATOM 511 C ALA A 35 7.425 9.368 2.313 1.00 0.39 C ATOM 512 O ALA A 35 6.212 9.448 2.317 1.00 0.81 O ATOM 513 CB ALA A 35 9.047 8.107 0.877 1.00 0.36 C ATOM 0 H ALA A 35 10.118 10.360 1.236 1.00 0.33 H new ATOM 0 HA ALA A 35 7.543 9.466 0.159 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.377 7.247 0.863 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.622 8.134 -0.049 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.727 8.023 1.725 1.00 0.36 H new ATOM 519 N LYS A 36 8.105 9.267 3.418 1.00 0.30 N ATOM 520 CA LYS A 36 7.414 9.246 4.740 1.00 0.28 C ATOM 521 C LYS A 36 6.592 10.527 4.919 1.00 0.24 C ATOM 522 O LYS A 36 5.672 10.578 5.710 1.00 0.25 O ATOM 523 CB LYS A 36 8.486 9.135 5.841 1.00 0.35 C ATOM 524 CG LYS A 36 7.942 9.636 7.189 1.00 0.38 C ATOM 525 CD LYS A 36 8.778 9.058 8.334 1.00 0.49 C ATOM 526 CE LYS A 36 8.385 9.735 9.646 1.00 1.22 C ATOM 527 NZ LYS A 36 6.974 9.391 9.982 1.00 1.92 N ATOM 0 H LYS A 36 9.122 9.197 3.465 1.00 0.30 H new ATOM 0 HA LYS A 36 6.734 8.396 4.800 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.808 8.098 5.937 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.364 9.717 5.560 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.970 10.725 7.220 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.899 9.340 7.303 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.620 7.982 8.406 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.839 9.212 8.137 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.050 9.412 10.447 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.495 10.816 9.557 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 6.686 9.906 10.838 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 6.354 9.659 9.192 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.897 8.368 10.151 1.00 1.92 H new ATOM 541 N MET A 37 6.927 11.560 4.211 1.00 0.23 N ATOM 542 CA MET A 37 6.178 12.835 4.362 1.00 0.24 C ATOM 543 C MET A 37 4.704 12.637 4.004 1.00 0.20 C ATOM 544 O MET A 37 3.859 13.416 4.399 1.00 0.20 O ATOM 545 CB MET A 37 6.792 13.901 3.452 1.00 0.29 C ATOM 546 CG MET A 37 6.035 15.224 3.621 1.00 1.31 C ATOM 547 SD MET A 37 7.073 16.592 3.044 1.00 2.12 S ATOM 548 CE MET A 37 7.772 17.051 4.649 1.00 3.13 C ATOM 0 H MET A 37 7.688 11.580 3.532 1.00 0.23 H new ATOM 0 HA MET A 37 6.243 13.159 5.401 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.845 14.040 3.697 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.747 13.575 2.413 1.00 0.29 H new ATOM 0 HG2 MET A 37 5.103 15.197 3.056 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.769 15.372 4.668 1.00 1.31 H new ATOM 0 HE1 MET A 37 8.454 17.892 4.522 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.968 17.336 5.328 1.00 3.13 H new ATOM 0 HE3 MET A 37 8.315 16.203 5.065 1.00 3.13 H new ATOM 558 N ILE A 38 4.383 11.617 3.247 1.00 0.18 N ATOM 559 CA ILE A 38 2.955 11.393 2.850 1.00 0.15 C ATOM 560 C ILE A 38 2.317 10.304 3.705 1.00 0.16 C ATOM 561 O ILE A 38 1.209 9.876 3.445 1.00 0.16 O ATOM 562 CB ILE A 38 2.893 10.970 1.382 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.665 11.996 0.538 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.422 10.892 0.912 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.756 11.533 -0.932 1.00 0.28 C ATOM 0 H ILE A 38 5.045 10.930 2.887 1.00 0.18 H new ATOM 0 HA ILE A 38 2.409 12.324 2.999 1.00 0.15 H new ATOM 0 HB ILE A 38 3.343 9.984 1.264 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.168 12.965 0.590 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.667 12.130 0.945 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.390 10.590 -0.135 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.885 10.162 1.517 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.953 11.870 1.022 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.306 12.273 -1.513 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.274 10.575 -0.980 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.752 11.423 -1.342 1.00 0.28 H new ATOM 577 N LYS A 39 2.978 9.844 4.733 1.00 0.19 N ATOM 578 CA LYS A 39 2.338 8.785 5.554 1.00 0.22 C ATOM 579 C LYS A 39 1.077 9.280 6.284 1.00 0.20 C ATOM 580 O LYS A 39 0.194 8.484 6.512 1.00 0.21 O ATOM 581 CB LYS A 39 3.322 8.126 6.556 1.00 0.31 C ATOM 582 CG LYS A 39 3.557 8.987 7.823 1.00 0.34 C ATOM 583 CD LYS A 39 4.013 8.111 8.998 1.00 0.45 C ATOM 584 CE LYS A 39 5.084 7.099 8.568 1.00 1.16 C ATOM 585 NZ LYS A 39 4.434 5.836 8.122 1.00 1.62 N ATOM 0 H LYS A 39 3.905 10.146 5.031 1.00 0.19 H new ATOM 0 HA LYS A 39 2.029 8.020 4.842 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.933 7.151 6.852 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.276 7.951 6.059 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.310 9.748 7.617 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.639 9.511 8.088 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.408 8.744 9.792 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.155 7.580 9.411 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.686 7.514 7.760 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.761 6.897 9.398 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.858 5.031 8.626 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.416 5.877 8.330 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.574 5.716 7.098 1.00 1.62 H new ATOM 599 N PRO A 40 1.001 10.536 6.691 1.00 0.20 N ATOM 600 CA PRO A 40 -0.180 10.974 7.441 1.00 0.21 C ATOM 601 C PRO A 40 -1.444 10.801 6.590 1.00 0.17 C ATOM 602 O PRO A 40 -2.550 10.900 7.082 1.00 0.20 O ATOM 603 CB PRO A 40 0.088 12.450 7.801 1.00 0.24 C ATOM 604 CG PRO A 40 1.532 12.784 7.329 1.00 0.25 C ATOM 605 CD PRO A 40 2.008 11.606 6.457 1.00 0.21 C ATOM 0 HA PRO A 40 -0.348 10.384 8.342 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.637 13.102 7.314 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.012 12.608 8.875 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.546 13.714 6.761 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.194 12.923 8.184 1.00 0.25 H new ATOM 0 HD2 PRO A 40 2.053 11.885 5.404 1.00 0.21 H new ATOM 0 HD3 PRO A 40 3.008 11.279 6.743 1.00 0.21 H new ATOM 613 N PHE A 41 -1.288 10.540 5.319 1.00 0.14 N ATOM 614 CA PHE A 41 -2.477 10.354 4.432 1.00 0.14 C ATOM 615 C PHE A 41 -2.731 8.860 4.224 1.00 0.11 C ATOM 616 O PHE A 41 -3.696 8.311 4.709 1.00 0.13 O ATOM 617 CB PHE A 41 -2.204 11.020 3.077 1.00 0.15 C ATOM 618 CG PHE A 41 -2.452 12.505 3.190 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.497 13.333 3.808 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.644 13.057 2.682 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.733 14.718 3.916 1.00 0.23 C ATOM 622 CE2 PHE A 41 -3.881 14.440 2.788 1.00 0.30 C ATOM 623 CZ PHE A 41 -2.924 15.272 3.406 1.00 0.27 C ATOM 0 H PHE A 41 -0.385 10.447 4.854 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.353 10.808 4.894 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.175 10.834 2.769 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -2.849 10.589 2.311 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.584 12.908 4.199 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.377 12.418 2.211 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.001 15.355 4.390 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.794 14.864 2.397 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.104 16.334 3.488 1.00 0.27 H new ATOM 633 N PHE A 42 -1.875 8.203 3.496 1.00 0.10 N ATOM 634 CA PHE A 42 -2.067 6.747 3.236 1.00 0.11 C ATOM 635 C PHE A 42 -2.448 6.012 4.528 1.00 0.11 C ATOM 636 O PHE A 42 -3.416 5.280 4.569 1.00 0.12 O ATOM 637 CB PHE A 42 -0.766 6.171 2.677 1.00 0.13 C ATOM 638 CG PHE A 42 -0.920 4.690 2.460 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.664 4.225 1.363 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.317 3.772 3.345 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.808 2.846 1.147 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.463 2.388 3.129 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.209 1.924 2.028 1.00 0.10 C ATOM 0 H PHE A 42 -1.045 8.612 3.066 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.875 6.614 2.517 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.514 6.662 1.737 1.00 0.13 H new ATOM 0 HB3 PHE A 42 0.055 6.364 3.368 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.125 4.929 0.686 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.256 4.130 4.187 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.380 2.490 0.303 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.004 1.683 3.807 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.322 0.863 1.859 1.00 0.10 H new ATOM 653 N HIS A 43 -1.700 6.195 5.579 1.00 0.14 N ATOM 654 CA HIS A 43 -2.031 5.496 6.857 1.00 0.16 C ATOM 655 C HIS A 43 -3.343 6.057 7.427 1.00 0.16 C ATOM 656 O HIS A 43 -4.114 5.346 8.041 1.00 0.18 O ATOM 657 CB HIS A 43 -0.868 5.681 7.858 1.00 0.21 C ATOM 658 CG HIS A 43 -1.357 5.570 9.279 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.264 4.396 10.009 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.971 6.480 10.105 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.813 4.626 11.216 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.261 5.880 11.327 1.00 0.39 N ATOM 0 H HIS A 43 -0.876 6.795 5.612 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.165 4.430 6.674 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.101 4.929 7.673 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.403 6.655 7.705 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.195 7.504 9.846 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.883 3.887 12.000 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.717 6.306 12.134 1.00 0.39 H new ATOM 670 N SER A 44 -3.602 7.322 7.239 1.00 0.20 N ATOM 671 CA SER A 44 -4.862 7.907 7.785 1.00 0.25 C ATOM 672 C SER A 44 -6.071 7.219 7.148 1.00 0.20 C ATOM 673 O SER A 44 -7.037 6.905 7.815 1.00 0.21 O ATOM 674 CB SER A 44 -4.911 9.404 7.479 1.00 0.34 C ATOM 675 OG SER A 44 -6.265 9.836 7.465 1.00 0.97 O ATOM 0 H SER A 44 -3.001 7.973 6.734 1.00 0.20 H new ATOM 0 HA SER A 44 -4.886 7.756 8.864 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.348 9.959 8.229 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.443 9.606 6.516 1.00 0.34 H new ATOM 0 HG SER A 44 -6.300 10.796 7.271 1.00 0.97 H new ATOM 681 N LEU A 45 -6.037 6.987 5.863 1.00 0.18 N ATOM 682 CA LEU A 45 -7.199 6.325 5.203 1.00 0.18 C ATOM 683 C LEU A 45 -7.549 5.040 5.957 1.00 0.16 C ATOM 684 O LEU A 45 -8.644 4.523 5.843 1.00 0.23 O ATOM 685 CB LEU A 45 -6.854 5.986 3.748 1.00 0.19 C ATOM 686 CG LEU A 45 -6.401 7.248 3.001 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.103 6.888 1.543 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.506 8.316 3.051 1.00 0.50 C ATOM 0 H LEU A 45 -5.261 7.225 5.246 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.052 7.003 5.218 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.064 5.235 3.720 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.723 5.554 3.252 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.504 7.645 3.475 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.781 7.780 1.006 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.313 6.138 1.508 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.003 6.489 1.075 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.175 9.207 2.518 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.409 7.927 2.581 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.718 8.572 4.089 1.00 0.50 H new ATOM 700 N SER A 46 -6.634 4.522 6.728 1.00 0.20 N ATOM 701 CA SER A 46 -6.924 3.273 7.488 1.00 0.25 C ATOM 702 C SER A 46 -8.158 3.491 8.366 1.00 0.17 C ATOM 703 O SER A 46 -8.930 2.583 8.605 1.00 0.15 O ATOM 704 CB SER A 46 -5.727 2.922 8.374 1.00 0.36 C ATOM 705 OG SER A 46 -4.549 2.886 7.579 1.00 0.51 O ATOM 0 H SER A 46 -5.700 4.908 6.865 1.00 0.20 H new ATOM 0 HA SER A 46 -7.109 2.457 6.789 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.620 3.659 9.170 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.886 1.956 8.854 1.00 0.36 H new ATOM 0 HG SER A 46 -4.025 3.699 7.734 1.00 0.51 H new ATOM 711 N GLU A 47 -8.349 4.691 8.852 1.00 0.21 N ATOM 712 CA GLU A 47 -9.532 4.973 9.721 1.00 0.21 C ATOM 713 C GLU A 47 -10.680 5.530 8.872 1.00 0.18 C ATOM 714 O GLU A 47 -11.821 5.543 9.290 1.00 0.18 O ATOM 715 CB GLU A 47 -9.140 6.001 10.792 1.00 0.32 C ATOM 716 CG GLU A 47 -7.734 5.691 11.315 1.00 0.39 C ATOM 717 CD GLU A 47 -7.655 4.228 11.755 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.970 3.957 12.902 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.283 3.403 10.936 1.00 2.00 O ATOM 0 H GLU A 47 -7.736 5.489 8.684 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.858 4.050 10.200 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.169 7.007 10.372 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.857 5.977 11.613 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -6.996 5.887 10.537 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.495 6.346 12.153 1.00 0.39 H new ATOM 726 N LYS A 48 -10.392 5.986 7.682 1.00 0.18 N ATOM 727 CA LYS A 48 -11.470 6.539 6.809 1.00 0.17 C ATOM 728 C LYS A 48 -12.050 5.408 5.959 1.00 0.15 C ATOM 729 O LYS A 48 -13.155 5.497 5.460 1.00 0.18 O ATOM 730 CB LYS A 48 -10.879 7.621 5.894 1.00 0.21 C ATOM 731 CG LYS A 48 -11.998 8.521 5.359 1.00 0.26 C ATOM 732 CD LYS A 48 -11.387 9.653 4.531 1.00 1.09 C ATOM 733 CE LYS A 48 -12.487 10.623 4.094 1.00 1.51 C ATOM 734 NZ LYS A 48 -13.330 9.978 3.048 1.00 2.16 N ATOM 0 H LYS A 48 -9.456 6.000 7.276 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.257 6.977 7.423 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.152 8.218 6.445 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.346 7.156 5.064 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.687 7.939 4.747 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.576 8.932 6.187 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.635 10.181 5.118 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.880 9.245 3.657 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.101 10.903 4.950 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -12.045 11.540 3.705 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.979 10.682 2.642 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.720 9.596 2.297 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -13.881 9.205 3.474 1.00 2.16 H new ATOM 748 N TYR A 49 -11.308 4.342 5.794 1.00 0.13 N ATOM 749 CA TYR A 49 -11.800 3.187 4.979 1.00 0.13 C ATOM 750 C TYR A 49 -11.519 1.884 5.730 1.00 0.11 C ATOM 751 O TYR A 49 -10.669 1.105 5.345 1.00 0.11 O ATOM 752 CB TYR A 49 -11.073 3.171 3.629 1.00 0.15 C ATOM 753 CG TYR A 49 -11.705 4.183 2.704 1.00 0.16 C ATOM 754 CD1 TYR A 49 -12.970 3.919 2.146 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.037 5.387 2.404 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.569 4.857 1.287 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.637 6.327 1.545 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.904 6.062 0.986 1.00 0.21 C ATOM 759 OH TYR A 49 -13.492 6.984 0.145 1.00 0.24 O ATOM 0 H TYR A 49 -10.376 4.221 6.191 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.872 3.285 4.811 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.017 3.401 3.770 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.126 2.176 3.187 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.480 2.996 2.378 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.066 5.588 2.832 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.539 4.654 0.858 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.127 7.251 1.314 1.00 0.20 H new ATOM 0 HH TYR A 49 -12.900 7.759 0.044 1.00 0.24 H new ATOM 769 N SER A 50 -12.231 1.637 6.794 1.00 0.12 N ATOM 770 CA SER A 50 -12.011 0.383 7.563 1.00 0.13 C ATOM 771 C SER A 50 -12.438 -0.808 6.703 1.00 0.13 C ATOM 772 O SER A 50 -12.284 -1.953 7.083 1.00 0.14 O ATOM 773 CB SER A 50 -12.847 0.419 8.842 1.00 0.16 C ATOM 774 OG SER A 50 -14.227 0.413 8.501 1.00 0.17 O ATOM 0 H SER A 50 -12.957 2.251 7.164 1.00 0.12 H new ATOM 0 HA SER A 50 -10.957 0.288 7.825 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.612 -0.441 9.468 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.608 1.310 9.422 1.00 0.16 H new ATOM 0 HG SER A 50 -14.766 0.434 9.319 1.00 0.17 H new ATOM 780 N ASN A 51 -12.985 -0.542 5.546 1.00 0.13 N ATOM 781 CA ASN A 51 -13.438 -1.642 4.646 1.00 0.15 C ATOM 782 C ASN A 51 -12.357 -1.935 3.604 1.00 0.13 C ATOM 783 O ASN A 51 -12.528 -2.778 2.745 1.00 0.14 O ATOM 784 CB ASN A 51 -14.723 -1.205 3.940 1.00 0.17 C ATOM 785 CG ASN A 51 -15.286 -2.371 3.127 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.113 -3.120 3.610 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.872 -2.559 1.905 1.00 0.32 N ATOM 0 H ASN A 51 -13.138 0.399 5.183 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.623 -2.543 5.231 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.457 -0.872 4.674 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.520 -0.357 3.286 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.242 -3.334 1.355 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.178 -1.931 1.499 1.00 0.32 H new ATOM 794 N VAL A 52 -11.243 -1.245 3.676 1.00 0.11 N ATOM 795 CA VAL A 52 -10.133 -1.471 2.693 1.00 0.10 C ATOM 796 C VAL A 52 -8.882 -1.932 3.438 1.00 0.10 C ATOM 797 O VAL A 52 -8.667 -1.592 4.584 1.00 0.11 O ATOM 798 CB VAL A 52 -9.827 -0.165 1.967 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.681 -0.383 0.975 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.075 0.303 1.214 1.00 0.12 C ATOM 0 H VAL A 52 -11.053 -0.530 4.378 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.435 -2.232 1.973 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.534 0.593 2.693 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.465 0.552 0.458 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.793 -0.714 1.513 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.969 -1.142 0.247 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.858 1.236 0.695 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.368 -0.456 0.489 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.889 0.462 1.922 1.00 0.12 H new ATOM 810 N ILE A 53 -8.055 -2.714 2.795 1.00 0.09 N ATOM 811 CA ILE A 53 -6.810 -3.215 3.454 1.00 0.09 C ATOM 812 C ILE A 53 -5.616 -2.377 2.979 1.00 0.09 C ATOM 813 O ILE A 53 -5.437 -2.155 1.799 1.00 0.14 O ATOM 814 CB ILE A 53 -6.587 -4.676 3.052 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.922 -5.456 3.110 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.533 -5.323 3.962 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.655 -5.259 4.450 1.00 0.17 C ATOM 0 H ILE A 53 -8.189 -3.030 1.834 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.907 -3.137 4.537 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.217 -4.709 2.027 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.567 -5.130 2.294 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.727 -6.518 2.957 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.384 -6.361 3.665 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.592 -4.781 3.871 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.874 -5.287 4.997 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.586 -5.826 4.442 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.023 -5.610 5.266 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.876 -4.201 4.592 1.00 0.17 H new ATOM 829 N PHE A 54 -4.796 -1.913 3.889 1.00 0.08 N ATOM 830 CA PHE A 54 -3.603 -1.088 3.506 1.00 0.08 C ATOM 831 C PHE A 54 -2.331 -1.814 3.933 1.00 0.08 C ATOM 832 O PHE A 54 -2.225 -2.295 5.042 1.00 0.11 O ATOM 833 CB PHE A 54 -3.680 0.263 4.212 1.00 0.08 C ATOM 834 CG PHE A 54 -4.907 0.997 3.728 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.920 1.566 2.442 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.041 1.103 4.559 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.065 2.246 1.984 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.187 1.781 4.100 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.199 2.353 2.813 1.00 0.09 C ATOM 0 H PHE A 54 -4.901 -2.071 4.891 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.590 -0.936 2.427 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.726 0.122 5.292 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.784 0.848 4.005 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.052 1.481 1.805 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.031 0.665 5.546 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.074 2.685 0.997 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.057 1.862 4.735 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.078 2.874 2.462 1.00 0.09 H new ATOM 849 N LEU A 55 -1.366 -1.909 3.054 1.00 0.08 N ATOM 850 CA LEU A 55 -0.087 -2.616 3.386 1.00 0.09 C ATOM 851 C LEU A 55 1.059 -1.599 3.393 1.00 0.09 C ATOM 852 O LEU A 55 0.886 -0.445 3.053 1.00 0.10 O ATOM 853 CB LEU A 55 0.199 -3.683 2.313 1.00 0.10 C ATOM 854 CG LEU A 55 -0.601 -4.972 2.587 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.091 -4.654 2.794 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.429 -5.921 1.390 1.00 0.12 C ATOM 0 H LEU A 55 -1.408 -1.524 2.110 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.173 -3.090 4.364 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.060 -3.292 1.329 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.265 -3.909 2.296 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.227 -5.443 3.496 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.637 -5.578 2.986 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.205 -3.982 3.644 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.489 -4.177 1.899 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.990 -6.838 1.569 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.802 -5.438 0.487 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.627 -6.160 1.264 1.00 0.12 H new ATOM 868 N GLU A 56 2.234 -2.030 3.767 1.00 0.09 N ATOM 869 CA GLU A 56 3.413 -1.111 3.788 1.00 0.09 C ATOM 870 C GLU A 56 4.640 -1.903 3.337 1.00 0.09 C ATOM 871 O GLU A 56 4.775 -3.071 3.644 1.00 0.10 O ATOM 872 CB GLU A 56 3.631 -0.580 5.209 1.00 0.09 C ATOM 873 CG GLU A 56 4.569 0.628 5.167 1.00 0.11 C ATOM 874 CD GLU A 56 4.692 1.229 6.569 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.805 0.994 7.373 1.00 1.24 O ATOM 876 OE2 GLU A 56 5.670 1.915 6.816 1.00 1.31 O ATOM 0 H GLU A 56 2.431 -2.987 4.061 1.00 0.09 H new ATOM 0 HA GLU A 56 3.245 -0.264 3.123 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.677 -0.297 5.653 1.00 0.09 H new ATOM 0 HB3 GLU A 56 4.056 -1.361 5.839 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.551 0.327 4.802 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.186 1.375 4.472 1.00 0.11 H new ATOM 883 N VAL A 57 5.526 -1.293 2.591 1.00 0.08 N ATOM 884 CA VAL A 57 6.731 -2.032 2.100 1.00 0.08 C ATOM 885 C VAL A 57 7.972 -1.139 2.172 1.00 0.09 C ATOM 886 O VAL A 57 7.959 0.002 1.746 1.00 0.14 O ATOM 887 CB VAL A 57 6.505 -2.450 0.642 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.692 -3.287 0.165 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.225 -3.283 0.530 1.00 0.09 C ATOM 0 H VAL A 57 5.468 -0.317 2.301 1.00 0.08 H new ATOM 0 HA VAL A 57 6.886 -2.910 2.728 1.00 0.08 H new ATOM 0 HB VAL A 57 6.409 -1.557 0.025 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.534 -3.585 -0.871 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.606 -2.697 0.237 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.784 -4.176 0.789 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.071 -3.576 -0.509 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.316 -4.175 1.149 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.375 -2.691 0.870 1.00 0.09 H new ATOM 899 N ASP A 58 9.056 -1.666 2.690 1.00 0.09 N ATOM 900 CA ASP A 58 10.325 -0.881 2.776 1.00 0.09 C ATOM 901 C ASP A 58 11.216 -1.286 1.598 1.00 0.10 C ATOM 902 O ASP A 58 11.780 -2.362 1.574 1.00 0.11 O ATOM 903 CB ASP A 58 11.036 -1.193 4.099 1.00 0.11 C ATOM 904 CG ASP A 58 12.100 -0.126 4.371 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.756 1.044 4.348 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.239 -0.497 4.597 1.00 1.06 O ATOM 0 H ASP A 58 9.114 -2.615 3.060 1.00 0.09 H new ATOM 0 HA ASP A 58 10.114 0.188 2.738 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.314 -1.218 4.915 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.498 -2.179 4.052 1.00 0.11 H new ATOM 911 N VAL A 59 11.319 -0.444 0.611 1.00 0.12 N ATOM 912 CA VAL A 59 12.142 -0.779 -0.589 1.00 0.15 C ATOM 913 C VAL A 59 13.599 -1.041 -0.204 1.00 0.18 C ATOM 914 O VAL A 59 14.406 -1.393 -1.040 1.00 0.27 O ATOM 915 CB VAL A 59 12.080 0.391 -1.572 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.653 0.521 -2.117 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.471 1.685 -0.850 1.00 0.22 C ATOM 0 H VAL A 59 10.866 0.470 0.581 1.00 0.12 H new ATOM 0 HA VAL A 59 11.743 -1.685 -1.046 1.00 0.15 H new ATOM 0 HB VAL A 59 12.770 0.213 -2.396 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.606 1.354 -2.818 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.374 -0.400 -2.629 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.964 0.701 -1.292 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.427 2.520 -1.550 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.780 1.865 -0.027 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.484 1.592 -0.459 1.00 0.22 H new ATOM 927 N ASP A 60 13.951 -0.855 1.042 1.00 0.16 N ATOM 928 CA ASP A 60 15.372 -1.076 1.468 1.00 0.18 C ATOM 929 C ASP A 60 15.492 -2.333 2.329 1.00 0.17 C ATOM 930 O ASP A 60 16.401 -3.124 2.163 1.00 0.18 O ATOM 931 CB ASP A 60 15.830 0.126 2.280 1.00 0.21 C ATOM 932 CG ASP A 60 15.716 1.391 1.431 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.373 1.454 0.404 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.973 2.274 1.820 1.00 1.08 O ATOM 0 H ASP A 60 13.318 -0.560 1.785 1.00 0.16 H new ATOM 0 HA ASP A 60 15.992 -1.202 0.580 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.222 0.223 3.179 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.861 -0.014 2.606 1.00 0.21 H new ATOM 939 N ASP A 61 14.598 -2.525 3.260 1.00 0.17 N ATOM 940 CA ASP A 61 14.677 -3.730 4.140 1.00 0.17 C ATOM 941 C ASP A 61 13.853 -4.864 3.519 1.00 0.16 C ATOM 942 O ASP A 61 13.938 -6.003 3.939 1.00 0.18 O ATOM 943 CB ASP A 61 14.151 -3.359 5.538 1.00 0.19 C ATOM 944 CG ASP A 61 13.718 -4.617 6.305 1.00 0.22 C ATOM 945 OD1 ASP A 61 14.554 -5.482 6.503 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.557 -4.691 6.677 1.00 1.12 O ATOM 0 H ASP A 61 13.815 -1.900 3.451 1.00 0.17 H new ATOM 0 HA ASP A 61 15.708 -4.071 4.235 1.00 0.17 H new ATOM 0 HB2 ASP A 61 14.926 -2.835 6.097 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.307 -2.675 5.445 1.00 0.19 H new ATOM 951 N ALA A 62 13.077 -4.564 2.510 1.00 0.16 N ATOM 952 CA ALA A 62 12.258 -5.616 1.828 1.00 0.16 C ATOM 953 C ALA A 62 12.584 -5.585 0.334 1.00 0.16 C ATOM 954 O ALA A 62 11.704 -5.577 -0.506 1.00 0.15 O ATOM 955 CB ALA A 62 10.769 -5.328 2.038 1.00 0.17 C ATOM 0 H ALA A 62 12.973 -3.626 2.124 1.00 0.16 H new ATOM 0 HA ALA A 62 12.487 -6.598 2.242 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.176 -6.096 1.540 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.545 -5.331 3.105 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.525 -4.352 1.619 1.00 0.17 H new ATOM 961 N GLN A 63 13.847 -5.554 0.004 1.00 0.20 N ATOM 962 CA GLN A 63 14.252 -5.509 -1.429 1.00 0.22 C ATOM 963 C GLN A 63 13.627 -6.683 -2.186 1.00 0.20 C ATOM 964 O GLN A 63 13.561 -6.683 -3.400 1.00 0.20 O ATOM 965 CB GLN A 63 15.777 -5.596 -1.529 1.00 0.29 C ATOM 966 CG GLN A 63 16.413 -4.540 -0.621 1.00 0.90 C ATOM 967 CD GLN A 63 17.937 -4.619 -0.734 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.493 -4.369 -1.785 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.641 -4.961 0.311 1.00 2.22 N ATOM 0 H GLN A 63 14.619 -5.558 0.670 1.00 0.20 H new ATOM 0 HA GLN A 63 13.906 -4.574 -1.869 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.114 -6.591 -1.238 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.093 -5.441 -2.561 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.068 -3.546 -0.905 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.106 -4.701 0.412 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.175 -5.171 1.194 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.657 -5.018 0.245 1.00 2.22 H new ATOM 978 N ASP A 64 13.175 -7.684 -1.486 1.00 0.19 N ATOM 979 CA ASP A 64 12.566 -8.853 -2.175 1.00 0.20 C ATOM 980 C ASP A 64 11.205 -8.456 -2.750 1.00 0.17 C ATOM 981 O ASP A 64 10.840 -8.858 -3.837 1.00 0.19 O ATOM 982 CB ASP A 64 12.392 -9.994 -1.171 1.00 0.22 C ATOM 983 CG ASP A 64 11.864 -9.436 0.152 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.617 -8.753 0.827 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.717 -9.704 0.469 1.00 1.11 O ATOM 0 H ASP A 64 13.201 -7.743 -0.468 1.00 0.19 H new ATOM 0 HA ASP A 64 13.215 -9.180 -2.987 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.700 -10.737 -1.566 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.344 -10.499 -1.010 1.00 0.22 H new ATOM 990 N VAL A 65 10.454 -7.666 -2.035 1.00 0.15 N ATOM 991 CA VAL A 65 9.124 -7.242 -2.547 1.00 0.16 C ATOM 992 C VAL A 65 9.326 -6.205 -3.654 1.00 0.16 C ATOM 993 O VAL A 65 8.758 -6.302 -4.724 1.00 0.19 O ATOM 994 CB VAL A 65 8.313 -6.628 -1.403 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.873 -6.396 -1.863 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.319 -7.585 -0.205 1.00 0.18 C ATOM 0 H VAL A 65 10.705 -7.296 -1.118 1.00 0.15 H new ATOM 0 HA VAL A 65 8.586 -8.102 -2.946 1.00 0.16 H new ATOM 0 HB VAL A 65 8.757 -5.676 -1.112 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.297 -5.959 -1.048 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.868 -5.717 -2.716 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.426 -7.347 -2.154 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.742 -7.150 0.611 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.874 -8.536 -0.497 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.345 -7.750 0.124 1.00 0.18 H new ATOM 1006 N ALA A 66 10.144 -5.217 -3.407 1.00 0.16 N ATOM 1007 CA ALA A 66 10.401 -4.175 -4.441 1.00 0.18 C ATOM 1008 C ALA A 66 11.077 -4.817 -5.655 1.00 0.19 C ATOM 1009 O ALA A 66 10.905 -4.384 -6.777 1.00 0.20 O ATOM 1010 CB ALA A 66 11.325 -3.103 -3.860 1.00 0.22 C ATOM 0 H ALA A 66 10.647 -5.087 -2.529 1.00 0.16 H new ATOM 0 HA ALA A 66 9.457 -3.723 -4.744 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.515 -2.339 -4.614 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.851 -2.646 -2.992 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.268 -3.559 -3.560 1.00 0.22 H new ATOM 1016 N SER A 67 11.851 -5.845 -5.436 1.00 0.21 N ATOM 1017 CA SER A 67 12.546 -6.512 -6.573 1.00 0.26 C ATOM 1018 C SER A 67 11.512 -7.127 -7.520 1.00 0.26 C ATOM 1019 O SER A 67 11.480 -6.826 -8.696 1.00 0.29 O ATOM 1020 CB SER A 67 13.466 -7.610 -6.030 1.00 0.31 C ATOM 1021 OG SER A 67 14.651 -7.016 -5.518 1.00 1.29 O ATOM 0 H SER A 67 12.032 -6.252 -4.518 1.00 0.21 H new ATOM 0 HA SER A 67 13.138 -5.778 -7.119 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.958 -8.172 -5.246 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.712 -8.319 -6.821 1.00 0.31 H new ATOM 0 HG SER A 67 14.442 -6.525 -4.696 1.00 1.29 H new ATOM 1027 N GLU A 68 10.673 -7.989 -7.019 1.00 0.26 N ATOM 1028 CA GLU A 68 9.647 -8.625 -7.893 1.00 0.30 C ATOM 1029 C GLU A 68 8.695 -7.557 -8.438 1.00 0.31 C ATOM 1030 O GLU A 68 8.106 -7.717 -9.488 1.00 0.36 O ATOM 1031 CB GLU A 68 8.854 -9.650 -7.078 1.00 0.31 C ATOM 1032 CG GLU A 68 8.073 -10.566 -8.023 1.00 0.39 C ATOM 1033 CD GLU A 68 9.043 -11.502 -8.745 1.00 1.43 C ATOM 1034 OE1 GLU A 68 9.781 -12.198 -8.067 1.00 2.19 O ATOM 1035 OE2 GLU A 68 9.031 -11.509 -9.966 1.00 2.20 O ATOM 0 H GLU A 68 10.653 -8.281 -6.042 1.00 0.26 H new ATOM 0 HA GLU A 68 10.141 -9.123 -8.728 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.531 -10.240 -6.460 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.169 -9.140 -6.401 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.341 -11.147 -7.461 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.519 -9.970 -8.748 1.00 0.39 H new ATOM 1042 N ALA A 69 8.533 -6.468 -7.731 1.00 0.29 N ATOM 1043 CA ALA A 69 7.610 -5.392 -8.209 1.00 0.31 C ATOM 1044 C ALA A 69 8.374 -4.407 -9.103 1.00 0.29 C ATOM 1045 O ALA A 69 7.803 -3.484 -9.652 1.00 0.33 O ATOM 1046 CB ALA A 69 7.035 -4.646 -7.004 1.00 0.31 C ATOM 0 H ALA A 69 8.999 -6.276 -6.844 1.00 0.29 H new ATOM 0 HA ALA A 69 6.800 -5.842 -8.784 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.362 -3.861 -7.349 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.485 -5.344 -6.373 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.848 -4.201 -6.430 1.00 0.31 H new ATOM 1052 N GLU A 70 9.656 -4.595 -9.258 1.00 0.27 N ATOM 1053 CA GLU A 70 10.454 -3.673 -10.119 1.00 0.29 C ATOM 1054 C GLU A 70 10.126 -2.216 -9.775 1.00 0.25 C ATOM 1055 O GLU A 70 9.796 -1.425 -10.637 1.00 0.26 O ATOM 1056 CB GLU A 70 10.123 -3.932 -11.592 1.00 0.38 C ATOM 1057 CG GLU A 70 10.076 -5.440 -11.849 1.00 1.18 C ATOM 1058 CD GLU A 70 9.981 -5.697 -13.354 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.564 -4.798 -14.064 1.00 2.34 O ATOM 1060 OE2 GLU A 70 10.329 -6.790 -13.770 1.00 2.06 O ATOM 0 H GLU A 70 10.188 -5.350 -8.824 1.00 0.27 H new ATOM 0 HA GLU A 70 11.514 -3.853 -9.943 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.164 -3.480 -11.845 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.873 -3.467 -12.231 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.968 -5.917 -11.443 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.219 -5.880 -11.339 1.00 1.18 H new ATOM 1067 N VAL A 71 10.222 -1.849 -8.527 1.00 0.22 N ATOM 1068 CA VAL A 71 9.923 -0.441 -8.139 1.00 0.19 C ATOM 1069 C VAL A 71 11.130 0.443 -8.463 1.00 0.23 C ATOM 1070 O VAL A 71 12.249 0.130 -8.107 1.00 0.28 O ATOM 1071 CB VAL A 71 9.631 -0.375 -6.642 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.145 1.031 -6.290 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.541 -1.390 -6.291 1.00 0.19 C ATOM 0 H VAL A 71 10.494 -2.463 -7.759 1.00 0.22 H new ATOM 0 HA VAL A 71 9.053 -0.088 -8.693 1.00 0.19 H new ATOM 0 HB VAL A 71 10.536 -0.605 -6.080 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.934 1.086 -5.222 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.917 1.757 -6.546 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.237 1.253 -6.851 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.331 -1.344 -5.222 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.634 -1.157 -6.849 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.880 -2.393 -6.551 1.00 0.19 H new ATOM 1083 N LYS A 72 10.913 1.545 -9.146 1.00 0.24 N ATOM 1084 CA LYS A 72 12.046 2.461 -9.510 1.00 0.29 C ATOM 1085 C LYS A 72 11.748 3.879 -9.012 1.00 0.26 C ATOM 1086 O LYS A 72 12.551 4.780 -9.166 1.00 0.27 O ATOM 1087 CB LYS A 72 12.211 2.493 -11.035 1.00 0.35 C ATOM 1088 CG LYS A 72 12.278 1.064 -11.590 1.00 0.43 C ATOM 1089 CD LYS A 72 13.576 0.386 -11.140 1.00 1.16 C ATOM 1090 CE LYS A 72 13.809 -0.879 -11.971 1.00 1.66 C ATOM 1091 NZ LYS A 72 14.227 -0.500 -13.350 1.00 2.40 N ATOM 0 H LYS A 72 9.995 1.851 -9.469 1.00 0.24 H new ATOM 0 HA LYS A 72 12.962 2.095 -9.046 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.376 3.028 -11.487 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.118 3.036 -11.299 1.00 0.35 H new ATOM 0 HG2 LYS A 72 11.419 0.490 -11.243 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.228 1.085 -12.679 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.416 1.071 -11.258 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.518 0.132 -10.081 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.576 -1.497 -11.504 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.898 -1.476 -12.007 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 14.717 -1.301 -13.797 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 13.387 -0.252 -13.911 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.868 0.318 -13.306 1.00 2.40 H new ATOM 1105 N ALA A 73 10.605 4.090 -8.412 1.00 0.22 N ATOM 1106 CA ALA A 73 10.262 5.458 -7.903 1.00 0.20 C ATOM 1107 C ALA A 73 9.320 5.333 -6.702 1.00 0.18 C ATOM 1108 O ALA A 73 8.329 4.643 -6.767 1.00 0.16 O ATOM 1109 CB ALA A 73 9.572 6.266 -9.018 1.00 0.21 C ATOM 0 H ALA A 73 9.893 3.377 -8.251 1.00 0.22 H new ATOM 0 HA ALA A 73 11.174 5.971 -7.598 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.323 7.260 -8.646 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.244 6.355 -9.872 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.660 5.755 -9.326 1.00 0.21 H new ATOM 1115 N THR A 74 9.612 6.014 -5.616 1.00 0.18 N ATOM 1116 CA THR A 74 8.719 5.953 -4.410 1.00 0.17 C ATOM 1117 C THR A 74 8.116 7.354 -4.184 1.00 0.17 C ATOM 1118 O THR A 74 8.756 8.334 -4.507 1.00 0.19 O ATOM 1119 CB THR A 74 9.553 5.570 -3.166 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.750 6.330 -3.158 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.921 4.072 -3.167 1.00 0.19 C ATOM 0 H THR A 74 10.432 6.611 -5.513 1.00 0.18 H new ATOM 0 HA THR A 74 7.935 5.212 -4.567 1.00 0.17 H new ATOM 0 HB THR A 74 8.952 5.777 -2.281 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.283 6.093 -2.370 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.507 3.841 -2.277 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.010 3.474 -3.167 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.507 3.842 -4.057 1.00 0.19 H new ATOM 1129 N PRO A 75 6.923 7.437 -3.617 1.00 0.17 N ATOM 1130 CA PRO A 75 6.099 6.275 -3.202 1.00 0.16 C ATOM 1131 C PRO A 75 5.428 5.625 -4.421 1.00 0.14 C ATOM 1132 O PRO A 75 5.011 6.302 -5.342 1.00 0.14 O ATOM 1133 CB PRO A 75 5.032 6.881 -2.263 1.00 0.17 C ATOM 1134 CG PRO A 75 5.089 8.427 -2.437 1.00 0.20 C ATOM 1135 CD PRO A 75 6.318 8.748 -3.318 1.00 0.19 C ATOM 0 HA PRO A 75 6.691 5.497 -2.720 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.041 6.502 -2.512 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.228 6.603 -1.228 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.175 8.795 -2.904 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.172 8.919 -1.468 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.025 9.265 -4.231 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.020 9.397 -2.795 1.00 0.19 H new ATOM 1143 N THR A 76 5.300 4.319 -4.415 1.00 0.13 N ATOM 1144 CA THR A 76 4.629 3.611 -5.556 1.00 0.12 C ATOM 1145 C THR A 76 3.371 2.950 -5.016 1.00 0.12 C ATOM 1146 O THR A 76 3.440 2.037 -4.219 1.00 0.18 O ATOM 1147 CB THR A 76 5.553 2.521 -6.128 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.887 2.986 -6.120 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.140 2.190 -7.564 1.00 0.13 C ATOM 0 H THR A 76 5.632 3.710 -3.667 1.00 0.13 H new ATOM 0 HA THR A 76 4.395 4.324 -6.346 1.00 0.12 H new ATOM 0 HB THR A 76 5.472 1.624 -5.515 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.950 3.808 -6.650 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.798 1.418 -7.963 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.111 1.830 -7.573 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.216 3.086 -8.180 1.00 0.13 H new ATOM 1157 N PHE A 77 2.218 3.386 -5.435 1.00 0.09 N ATOM 1158 CA PHE A 77 0.974 2.753 -4.922 1.00 0.09 C ATOM 1159 C PHE A 77 0.604 1.591 -5.827 1.00 0.09 C ATOM 1160 O PHE A 77 0.417 1.747 -7.018 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.164 3.767 -4.890 1.00 0.10 C ATOM 1162 CG PHE A 77 0.124 4.780 -3.818 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.119 4.455 -2.472 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.639 6.045 -4.161 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.150 5.401 -1.462 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.909 6.991 -3.156 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.666 6.672 -1.807 1.00 0.12 C ATOM 0 H PHE A 77 2.083 4.145 -6.103 1.00 0.09 H new ATOM 0 HA PHE A 77 1.143 2.394 -3.907 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.260 4.258 -5.858 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.111 3.266 -4.692 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.511 3.483 -2.212 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.827 6.289 -5.196 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.038 5.156 -0.427 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.303 7.962 -3.419 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.874 7.398 -1.035 1.00 0.12 H new ATOM 1177 N GLN A 78 0.505 0.421 -5.262 1.00 0.07 N ATOM 1178 CA GLN A 78 0.152 -0.789 -6.057 1.00 0.07 C ATOM 1179 C GLN A 78 -1.142 -1.361 -5.495 1.00 0.06 C ATOM 1180 O GLN A 78 -1.330 -1.430 -4.296 1.00 0.07 O ATOM 1181 CB GLN A 78 1.285 -1.814 -5.931 1.00 0.08 C ATOM 1182 CG GLN A 78 2.627 -1.129 -6.202 1.00 0.12 C ATOM 1183 CD GLN A 78 3.683 -2.176 -6.569 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.708 -3.252 -6.006 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.560 -1.904 -7.496 1.00 1.03 N ATOM 0 H GLN A 78 0.656 0.249 -4.268 1.00 0.07 H new ATOM 0 HA GLN A 78 0.017 -0.541 -7.110 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.284 -2.252 -4.933 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.132 -2.630 -6.638 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.520 -0.408 -7.013 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.945 -0.572 -5.321 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.539 -1.000 -7.969 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.267 -2.595 -7.748 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.050 -1.737 -6.354 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.364 -2.273 -5.887 1.00 0.07 C ATOM 1196 C PHE A 79 -3.449 -3.767 -6.176 1.00 0.07 C ATOM 1197 O PHE A 79 -3.158 -4.219 -7.267 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.483 -1.536 -6.625 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.484 -0.086 -6.194 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.428 0.756 -6.577 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.525 0.417 -5.398 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.407 2.103 -6.172 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.511 1.761 -4.983 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.453 2.606 -5.370 1.00 0.11 C ATOM 0 H PHE A 79 -1.939 -1.696 -7.367 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.465 -2.121 -4.812 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.335 -1.609 -7.702 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.446 -1.995 -6.404 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.626 0.367 -7.187 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.339 -0.229 -5.103 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.595 2.748 -6.473 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.311 2.145 -4.368 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.442 3.638 -5.053 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.849 -4.538 -5.197 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.967 -6.014 -5.380 1.00 0.08 C ATOM 1216 C PHE A 80 -5.351 -6.461 -4.913 1.00 0.11 C ATOM 1217 O PHE A 80 -5.997 -5.797 -4.124 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.893 -6.719 -4.546 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.536 -6.519 -5.185 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.132 -7.348 -6.251 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.672 -5.510 -4.713 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.136 -7.167 -6.841 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.591 -5.330 -5.304 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.996 -6.156 -6.365 1.00 0.14 C ATOM 0 H PHE A 80 -4.102 -4.202 -4.268 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.831 -6.269 -6.431 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.889 -6.322 -3.531 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.117 -7.783 -4.472 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.793 -8.121 -6.615 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.981 -4.874 -3.896 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.448 -7.802 -7.657 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.251 -4.555 -4.941 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.967 -6.017 -6.817 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.814 -7.579 -5.396 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.159 -8.073 -4.989 1.00 0.14 C ATOM 1236 C LYS A 81 -7.161 -9.592 -5.149 1.00 0.14 C ATOM 1237 O LYS A 81 -6.853 -10.102 -6.201 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.213 -7.432 -5.903 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.596 -7.470 -5.238 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.583 -6.628 -6.061 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.825 -6.328 -5.221 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.802 -5.552 -6.039 1.00 1.48 N ATOM 0 H LYS A 81 -5.317 -8.175 -6.058 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.387 -7.812 -3.956 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.936 -6.400 -6.120 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.246 -7.960 -6.856 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.949 -8.499 -5.168 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.533 -7.084 -4.220 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.110 -5.697 -6.374 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.865 -7.163 -6.968 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.279 -7.258 -4.878 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -11.548 -5.762 -4.332 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.750 -5.635 -5.619 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.519 -4.551 -6.061 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.819 -5.928 -7.009 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.481 -10.321 -4.114 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.466 -11.807 -4.228 1.00 0.20 C ATOM 1258 C LYS A 82 -6.095 -12.275 -4.736 1.00 0.20 C ATOM 1259 O LYS A 82 -5.985 -13.264 -5.435 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.555 -12.266 -5.210 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.916 -12.295 -4.512 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.986 -12.756 -5.505 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.374 -12.518 -4.911 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.412 -12.812 -5.939 1.00 1.67 N ATOM 0 H LYS A 82 -7.750 -9.955 -3.201 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.658 -12.239 -3.246 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.591 -11.592 -6.066 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.314 -13.257 -5.595 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.884 -12.969 -3.656 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.162 -11.305 -4.129 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.883 -12.212 -6.444 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.853 -13.814 -5.733 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.521 -13.154 -4.038 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.464 -11.486 -4.573 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.356 -12.650 -5.535 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.275 -12.188 -6.759 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.330 -13.804 -6.241 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.047 -11.582 -4.386 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.692 -12.002 -4.847 1.00 0.21 C ATOM 1280 C GLY A 83 -3.495 -11.615 -6.313 1.00 0.19 C ATOM 1281 O GLY A 83 -2.538 -12.020 -6.943 1.00 0.22 O ATOM 0 H GLY A 83 -5.069 -10.746 -3.803 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.927 -11.529 -4.232 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.576 -13.079 -4.728 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.397 -10.839 -6.866 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.272 -10.424 -8.306 1.00 0.17 C ATOM 1287 C GLN A 84 -4.055 -8.908 -8.408 1.00 0.16 C ATOM 1288 O GLN A 84 -4.610 -8.138 -7.655 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.563 -10.795 -9.050 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.556 -12.290 -9.382 1.00 0.23 C ATOM 1291 CD GLN A 84 -4.639 -12.526 -10.582 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -4.584 -13.611 -11.122 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -3.915 -11.534 -11.023 1.00 2.08 N ATOM 0 H GLN A 84 -5.218 -10.473 -6.383 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.419 -10.937 -8.749 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.430 -10.553 -8.436 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.648 -10.210 -9.966 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.209 -12.865 -8.524 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.567 -12.631 -9.607 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -3.965 -10.624 -10.566 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -3.299 -11.669 -11.825 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.260 -8.476 -9.356 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.018 -7.012 -9.521 1.00 0.17 C ATOM 1304 C LYS A 85 -4.123 -6.413 -10.390 1.00 0.16 C ATOM 1305 O LYS A 85 -4.642 -7.059 -11.278 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.662 -6.778 -10.193 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.491 -5.280 -10.491 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.010 -4.956 -10.717 1.00 0.30 C ATOM 1309 CE LYS A 85 0.523 -5.758 -11.910 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.746 -5.093 -12.444 1.00 1.70 N ATOM 0 H LYS A 85 -2.770 -9.074 -10.021 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.018 -6.536 -8.541 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.858 -7.125 -9.544 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.597 -7.353 -11.117 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.070 -5.008 -11.374 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.878 -4.689 -9.661 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.114 -3.889 -10.901 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.564 -5.194 -9.822 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.754 -6.778 -11.603 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.238 -5.824 -12.688 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.110 -5.635 -13.254 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.510 -4.128 -12.751 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.472 -5.052 -11.700 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.496 -5.183 -10.131 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.581 -4.529 -10.929 1.00 0.16 C ATOM 1326 C VAL A 86 -5.114 -3.150 -11.418 1.00 0.18 C ATOM 1327 O VAL A 86 -5.540 -2.683 -12.456 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.829 -4.376 -10.047 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.557 -5.719 -9.946 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.414 -3.927 -8.643 1.00 0.17 C ATOM 0 H VAL A 86 -4.093 -4.601 -9.397 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.819 -5.145 -11.796 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.490 -3.632 -10.491 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.442 -5.607 -9.320 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.856 -6.046 -10.942 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.892 -6.461 -9.505 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.301 -3.819 -8.019 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.750 -4.672 -8.204 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.895 -2.970 -8.705 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.248 -2.493 -10.690 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.776 -1.148 -11.142 1.00 0.18 C ATOM 1342 C GLY A 87 -2.623 -0.660 -10.259 1.00 0.10 C ATOM 1343 O GLY A 87 -2.229 -1.316 -9.314 1.00 0.08 O ATOM 0 H GLY A 87 -3.850 -2.824 -9.811 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.449 -1.201 -12.181 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.599 -0.435 -11.102 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.079 0.493 -10.563 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.952 1.031 -9.746 1.00 0.10 C ATOM 1349 C GLU A 88 -0.601 2.448 -10.200 1.00 0.10 C ATOM 1350 O GLU A 88 -0.864 2.835 -11.321 1.00 0.11 O ATOM 1351 CB GLU A 88 0.276 0.131 -9.897 1.00 0.17 C ATOM 1352 CG GLU A 88 0.616 -0.063 -11.382 1.00 0.25 C ATOM 1353 CD GLU A 88 1.330 1.180 -11.922 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.965 1.867 -11.139 1.00 1.94 O ATOM 1355 OE2 GLU A 88 1.232 1.421 -13.113 1.00 2.04 O ATOM 0 H GLU A 88 -2.368 1.084 -11.343 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.259 1.055 -8.700 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.126 0.574 -9.377 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.086 -0.836 -9.431 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.251 -0.940 -11.507 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.295 -0.245 -11.952 1.00 0.25 H new ATOM 1362 N PHE A 89 0.008 3.221 -9.337 1.00 0.09 N ATOM 1363 CA PHE A 89 0.392 4.608 -9.726 1.00 0.09 C ATOM 1364 C PHE A 89 1.325 5.225 -8.673 1.00 0.09 C ATOM 1365 O PHE A 89 1.082 5.146 -7.489 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.867 5.477 -9.914 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.419 5.949 -8.583 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.774 6.985 -7.872 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.589 5.365 -8.061 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.300 7.432 -6.648 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.113 5.813 -6.835 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.472 6.847 -6.128 1.00 0.11 C ATOM 0 H PHE A 89 0.254 2.952 -8.385 1.00 0.09 H new ATOM 0 HA PHE A 89 0.929 4.568 -10.674 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.626 6.339 -10.536 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.629 4.905 -10.443 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.124 7.434 -8.269 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.084 4.573 -8.602 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.806 8.224 -6.105 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.009 5.362 -6.435 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.878 7.192 -5.188 1.00 0.11 H new ATOM 1382 N SER A 90 2.390 5.853 -9.107 1.00 0.13 N ATOM 1383 CA SER A 90 3.350 6.497 -8.149 1.00 0.14 C ATOM 1384 C SER A 90 3.162 8.018 -8.205 1.00 0.14 C ATOM 1385 O SER A 90 2.243 8.515 -8.826 1.00 0.17 O ATOM 1386 CB SER A 90 4.780 6.144 -8.564 1.00 0.15 C ATOM 1387 OG SER A 90 5.190 7.007 -9.617 1.00 0.16 O ATOM 0 H SER A 90 2.640 5.949 -10.091 1.00 0.13 H new ATOM 0 HA SER A 90 3.165 6.141 -7.135 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.453 6.245 -7.713 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.831 5.105 -8.889 1.00 0.15 H new ATOM 0 HG SER A 90 5.973 7.522 -9.331 1.00 0.16 H new ATOM 1393 N GLY A 91 4.028 8.764 -7.568 1.00 0.12 N ATOM 1394 CA GLY A 91 3.901 10.258 -7.592 1.00 0.13 C ATOM 1395 C GLY A 91 3.093 10.729 -6.380 1.00 0.13 C ATOM 1396 O GLY A 91 2.014 10.240 -6.116 1.00 0.13 O ATOM 0 H GLY A 91 4.818 8.406 -7.032 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.890 10.716 -7.582 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.412 10.576 -8.513 1.00 0.13 H new ATOM 1400 N ALA A 92 3.610 11.673 -5.639 1.00 0.15 N ATOM 1401 CA ALA A 92 2.868 12.167 -4.441 1.00 0.17 C ATOM 1402 C ALA A 92 1.451 12.600 -4.834 1.00 0.15 C ATOM 1403 O ALA A 92 1.219 13.737 -5.196 1.00 0.16 O ATOM 1404 CB ALA A 92 3.611 13.369 -3.835 1.00 0.20 C ATOM 0 H ALA A 92 4.510 12.122 -5.810 1.00 0.15 H new ATOM 0 HA ALA A 92 2.807 11.361 -3.710 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.069 13.729 -2.961 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.615 13.065 -3.539 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.677 14.167 -4.575 1.00 0.20 H new ATOM 1410 N ASN A 93 0.499 11.711 -4.739 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.913 12.071 -5.076 1.00 0.13 C ATOM 1412 C ASN A 93 -1.839 11.401 -4.060 1.00 0.12 C ATOM 1413 O ASN A 93 -2.510 10.432 -4.354 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.252 11.593 -6.492 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.456 12.380 -7.015 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.454 12.508 -6.334 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.397 12.926 -8.196 1.00 1.15 N ATOM 0 H ASN A 93 0.637 10.745 -4.441 1.00 0.14 H new ATOM 0 HA ASN A 93 -1.041 13.153 -5.039 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.396 11.735 -7.151 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.475 10.526 -6.485 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.189 13.462 -8.550 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.558 12.818 -8.767 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.859 11.904 -2.858 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.719 11.297 -1.802 1.00 0.20 C ATOM 1426 C LYS A 94 -4.195 11.443 -2.172 1.00 0.18 C ATOM 1427 O LYS A 94 -5.009 10.610 -1.833 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.461 11.989 -0.456 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.500 13.532 -0.618 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.073 14.102 -0.711 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.476 14.262 0.694 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.989 15.517 1.314 1.00 1.19 N ATOM 0 H LYS A 94 -1.315 12.713 -2.559 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.474 10.238 -1.720 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.211 11.675 0.270 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.491 11.684 -0.064 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.062 13.795 -1.514 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.022 13.979 0.228 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.446 13.439 -1.307 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.091 15.066 -1.219 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.740 13.404 1.312 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.612 14.291 0.637 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.194 16.161 1.504 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -1.659 15.976 0.665 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -1.472 15.291 2.207 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.555 12.489 -2.856 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.982 12.665 -3.230 1.00 0.20 C ATOM 1448 C GLU A 95 -6.378 11.572 -4.224 1.00 0.17 C ATOM 1449 O GLU A 95 -7.516 11.150 -4.279 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.178 14.040 -3.877 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.484 15.129 -3.035 1.00 0.33 C ATOM 1452 CD GLU A 95 -4.018 15.282 -3.466 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -3.570 14.490 -4.279 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -3.373 16.195 -2.979 1.00 1.95 O ATOM 0 H GLU A 95 -3.926 13.227 -3.171 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.605 12.595 -2.339 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.769 14.036 -4.887 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.242 14.261 -3.964 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.006 16.078 -3.154 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.534 14.868 -1.978 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.444 11.113 -5.010 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.754 10.050 -6.002 1.00 0.14 C ATOM 1463 C LYS A 96 -6.072 8.748 -5.266 1.00 0.12 C ATOM 1464 O LYS A 96 -6.881 7.962 -5.711 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.556 9.846 -6.935 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.827 8.663 -7.868 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.812 8.650 -9.037 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.381 9.405 -10.248 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.563 10.844 -9.907 1.00 2.05 N ATOM 0 H LYS A 96 -4.475 11.431 -5.006 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.617 10.347 -6.597 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.379 10.749 -7.519 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.654 9.662 -6.351 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.759 7.729 -7.310 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.842 8.727 -8.261 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.876 9.111 -8.720 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.582 7.622 -9.316 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.707 9.306 -11.099 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -5.335 8.969 -10.544 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.718 11.390 -10.778 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.386 10.951 -9.281 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.712 11.197 -9.424 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.458 8.513 -4.133 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.761 7.260 -3.381 1.00 0.11 C ATOM 1485 C LEU A 97 -7.276 7.148 -3.220 1.00 0.11 C ATOM 1486 O LEU A 97 -7.841 6.071 -3.242 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.111 7.309 -1.985 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.625 6.940 -2.068 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.978 7.213 -0.707 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.469 5.445 -2.442 1.00 0.13 C ATOM 0 H LEU A 97 -4.768 9.128 -3.701 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.367 6.403 -3.926 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.220 8.308 -1.562 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.625 6.621 -1.314 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.136 7.539 -2.837 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.920 6.955 -0.749 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.085 8.269 -0.459 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.468 6.609 0.057 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.410 5.193 -2.499 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.949 4.828 -1.682 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.938 5.261 -3.409 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.932 8.258 -3.056 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.414 8.231 -2.889 1.00 0.14 C ATOM 1504 C GLU A 98 -10.074 7.796 -4.199 1.00 0.13 C ATOM 1505 O GLU A 98 -10.825 6.842 -4.244 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.911 9.629 -2.509 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.440 9.629 -2.431 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.916 10.891 -1.708 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.207 11.883 -1.761 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.979 10.843 -1.113 1.00 2.15 O ATOM 0 H GLU A 98 -7.509 9.186 -3.030 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.674 7.524 -2.101 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.488 9.928 -1.550 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.575 10.358 -3.246 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.866 9.590 -3.434 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.787 8.742 -1.902 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.807 8.501 -5.263 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.423 8.150 -6.575 1.00 0.14 C ATOM 1519 C ALA A 99 -10.039 6.725 -6.989 1.00 0.12 C ATOM 1520 O ALA A 99 -10.849 5.993 -7.514 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.935 9.134 -7.638 1.00 0.15 C ATOM 0 H ALA A 99 -9.185 9.310 -5.281 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.507 8.206 -6.480 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.382 8.882 -8.600 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.225 10.146 -7.357 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.849 9.076 -7.716 1.00 0.15 H new ATOM 1527 N THR A 100 -8.812 6.331 -6.777 1.00 0.11 N ATOM 1528 CA THR A 100 -8.388 4.958 -7.185 1.00 0.11 C ATOM 1529 C THR A 100 -9.108 3.908 -6.336 1.00 0.10 C ATOM 1530 O THR A 100 -9.603 2.924 -6.844 1.00 0.11 O ATOM 1531 CB THR A 100 -6.874 4.815 -7.009 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.235 5.982 -7.501 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.376 3.595 -7.790 1.00 0.12 C ATOM 0 H THR A 100 -8.086 6.898 -6.340 1.00 0.11 H new ATOM 0 HA THR A 100 -8.649 4.803 -8.232 1.00 0.11 H new ATOM 0 HB THR A 100 -6.642 4.685 -5.952 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.332 6.708 -6.850 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.298 3.496 -7.662 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.869 2.698 -7.416 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.606 3.722 -8.848 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.174 4.107 -5.050 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.870 3.111 -4.183 1.00 0.11 C ATOM 1543 C ILE A 101 -11.342 3.020 -4.606 1.00 0.13 C ATOM 1544 O ILE A 101 -11.863 1.950 -4.847 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.767 3.552 -2.709 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.323 3.325 -2.215 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.743 2.728 -1.852 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.044 4.157 -0.953 1.00 0.18 C ATOM 0 H ILE A 101 -8.779 4.911 -4.562 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.403 2.132 -4.292 1.00 0.11 H new ATOM 0 HB ILE A 101 -10.023 4.608 -2.623 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.168 2.267 -2.001 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.618 3.598 -3.000 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.668 3.042 -0.811 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.762 2.887 -2.206 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.492 1.670 -1.931 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.021 3.982 -0.621 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.177 5.215 -1.178 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.736 3.864 -0.164 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.017 4.133 -4.688 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.454 4.110 -5.084 1.00 0.17 C ATOM 1562 C ASN A 102 -13.592 3.548 -6.503 1.00 0.18 C ATOM 1563 O ASN A 102 -14.670 3.193 -6.937 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.013 5.534 -5.042 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.543 5.486 -5.044 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.127 4.421 -5.025 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.219 6.601 -5.070 1.00 1.03 N ATOM 0 H ASN A 102 -11.635 5.059 -4.498 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.010 3.477 -4.392 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.657 6.049 -4.150 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.656 6.101 -5.902 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.239 6.579 -5.074 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.728 7.495 -5.086 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.514 3.477 -7.233 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.586 2.950 -8.627 1.00 0.18 C ATOM 1576 C GLU A 103 -12.714 1.424 -8.612 1.00 0.19 C ATOM 1577 O GLU A 103 -13.651 0.861 -9.144 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.304 3.336 -9.380 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.534 3.231 -10.893 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.261 4.483 -11.395 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -11.596 5.480 -11.619 1.00 2.02 O ATOM 1582 OE2 GLU A 103 -13.470 4.421 -11.545 1.00 2.01 O ATOM 0 H GLU A 103 -11.584 3.761 -6.925 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.458 3.378 -9.122 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.010 4.352 -9.118 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.486 2.681 -9.082 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.580 3.122 -11.409 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.122 2.342 -11.120 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.755 0.752 -8.037 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.777 -0.742 -8.008 1.00 0.19 C ATOM 1591 C LEU A 104 -12.416 -1.250 -6.712 1.00 0.19 C ATOM 1592 O LEU A 104 -12.248 -2.393 -6.336 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.334 -1.245 -8.105 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.688 -0.726 -9.404 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.165 -0.793 -9.284 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.139 -1.576 -10.598 1.00 0.35 C ATOM 0 H LEU A 104 -10.948 1.177 -7.581 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.369 -1.114 -8.844 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.762 -0.905 -7.242 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.317 -2.335 -8.089 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.000 0.306 -9.562 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.711 -0.425 -10.204 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.839 -0.176 -8.447 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.858 -1.825 -9.115 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.675 -1.198 -11.509 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -9.839 -2.612 -10.441 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.223 -1.522 -10.694 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.156 -0.420 -6.026 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.804 -0.878 -4.763 1.00 0.22 C ATOM 1610 C VAL A 105 -14.820 -1.978 -5.084 1.00 0.26 C ATOM 1611 O VAL A 105 -14.931 -2.903 -4.297 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.523 0.295 -4.097 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.567 0.869 -5.059 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.219 -0.191 -2.821 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.467 -1.877 -6.113 1.00 1.18 O ATOM 0 H VAL A 105 -13.339 0.550 -6.284 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.042 -1.266 -4.087 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.798 1.069 -3.845 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.079 1.705 -4.583 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.074 1.215 -5.967 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.292 0.096 -5.312 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.732 0.645 -2.345 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.944 -0.965 -3.074 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.477 -0.599 -2.135 1.00 0.27 H new ATOM 1692 N ARG B 4 18.168 3.229 -1.900 1.00 0.00 N ATOM 1693 CA ARG B 4 17.981 2.489 -3.185 1.00 0.00 C ATOM 1694 C ARG B 4 17.796 3.488 -4.338 1.00 0.00 C ATOM 1695 O ARG B 4 18.744 3.804 -5.028 1.00 0.00 O ATOM 1696 CB ARG B 4 16.772 1.533 -3.061 1.00 0.00 C ATOM 1697 CG ARG B 4 17.074 0.204 -3.782 1.00 0.00 C ATOM 1698 CD ARG B 4 15.950 -0.820 -3.537 1.00 0.00 C ATOM 1699 NE ARG B 4 15.648 -1.527 -4.813 1.00 0.00 N ATOM 1700 CZ ARG B 4 14.987 -2.649 -4.795 1.00 0.00 C ATOM 1701 NH1 ARG B 4 14.600 -3.156 -3.657 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.719 -3.270 -5.912 1.00 0.00 N ATOM 0 HA ARG B 4 18.865 1.889 -3.401 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.553 1.344 -2.010 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.885 1.997 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.183 0.382 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG B 4 18.023 -0.199 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.254 -1.536 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.057 -0.317 -3.166 1.00 0.00 H new ATOM 0 HE ARG B 4 15.959 -1.132 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.815 -2.674 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG B 4 14.082 -4.035 -3.640 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.028 -2.876 -6.801 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.201 -4.149 -5.895 1.00 0.00 H new ATOM 1716 N TYR B 5 16.596 3.994 -4.561 1.00 0.00 N ATOM 1717 CA TYR B 5 16.384 4.979 -5.683 1.00 0.00 C ATOM 1718 C TYR B 5 15.785 6.300 -5.161 1.00 0.00 C ATOM 1719 O TYR B 5 15.787 6.572 -3.979 1.00 0.00 O ATOM 1720 CB TYR B 5 15.495 4.371 -6.784 1.00 0.00 C ATOM 1721 CG TYR B 5 14.389 3.524 -6.208 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.644 2.200 -5.806 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.089 4.047 -6.119 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.597 1.405 -5.304 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.043 3.254 -5.625 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.296 1.931 -5.214 1.00 0.00 C ATOM 1727 OH TYR B 5 11.271 1.151 -4.728 1.00 0.00 O ATOM 0 H TYR B 5 15.761 3.769 -4.019 1.00 0.00 H new ATOM 0 HA TYR B 5 17.358 5.204 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.064 5.171 -7.386 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.107 3.764 -7.451 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.642 1.794 -5.883 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.894 5.062 -6.432 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.793 0.391 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.044 3.658 -5.560 1.00 0.00 H new ATOM 0 HH TYR B 5 11.611 0.255 -4.524 1.00 0.00 H new ATOM 1737 N VAL B 6 15.340 7.145 -6.060 1.00 0.00 N ATOM 1738 CA VAL B 6 14.809 8.491 -5.663 1.00 0.00 C ATOM 1739 C VAL B 6 13.404 8.422 -5.061 1.00 0.00 C ATOM 1740 O VAL B 6 12.586 7.603 -5.432 1.00 0.00 O ATOM 1741 CB VAL B 6 14.744 9.382 -6.911 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.737 10.856 -6.501 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.949 9.102 -7.799 1.00 0.00 C ATOM 0 H VAL B 6 15.321 6.959 -7.063 1.00 0.00 H new ATOM 0 HA VAL B 6 15.481 8.892 -4.905 1.00 0.00 H new ATOM 0 HB VAL B 6 13.829 9.162 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.691 11.481 -7.393 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.869 11.055 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.647 11.083 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.903 9.735 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.865 9.316 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.943 8.055 -8.100 1.00 0.00 H new ATOM 1753 N CYS B 7 13.115 9.339 -4.170 1.00 0.00 N ATOM 1754 CA CYS B 7 11.759 9.424 -3.559 1.00 0.00 C ATOM 1755 C CYS B 7 11.007 10.566 -4.242 1.00 0.00 C ATOM 1756 O CYS B 7 11.178 11.720 -3.904 1.00 0.00 O ATOM 1757 CB CYS B 7 11.869 9.706 -2.053 1.00 0.00 C ATOM 1758 SG CYS B 7 13.235 8.755 -1.342 1.00 0.00 S ATOM 0 H CYS B 7 13.775 10.042 -3.837 1.00 0.00 H new ATOM 0 HA CYS B 7 11.230 8.480 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.030 10.771 -1.885 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.935 9.443 -1.556 1.00 0.00 H new ATOM 1763 N GLU B 8 10.196 10.264 -5.219 1.00 0.00 N ATOM 1764 CA GLU B 8 9.464 11.352 -5.932 1.00 0.00 C ATOM 1765 C GLU B 8 8.200 11.749 -5.160 1.00 0.00 C ATOM 1766 O GLU B 8 7.136 11.925 -5.731 1.00 0.00 O ATOM 1767 CB GLU B 8 9.084 10.879 -7.337 1.00 0.00 C ATOM 1768 CG GLU B 8 8.594 9.435 -7.268 1.00 0.00 C ATOM 1769 CD GLU B 8 7.886 9.070 -8.575 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.477 9.276 -9.623 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.766 8.592 -8.506 1.00 0.00 O ATOM 0 H GLU B 8 10.009 9.319 -5.553 1.00 0.00 H new ATOM 0 HA GLU B 8 10.115 12.223 -6.003 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.305 11.520 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU B 8 9.944 10.952 -8.003 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.435 8.763 -7.098 1.00 0.00 H new ATOM 0 HG3 GLU B 8 7.912 9.311 -6.427 1.00 0.00 H new ATOM 1778 N GLY B 9 8.311 11.930 -3.875 1.00 0.00 N ATOM 1779 CA GLY B 9 7.125 12.359 -3.092 1.00 0.00 C ATOM 1780 C GLY B 9 6.849 13.829 -3.472 1.00 0.00 C ATOM 1781 O GLY B 9 6.823 14.132 -4.649 1.00 0.00 O ATOM 0 H GLY B 9 9.168 11.800 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.263 11.732 -3.321 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.313 12.265 -2.022 1.00 0.00 H new ATOM 1785 N PRO B 10 6.679 14.725 -2.514 1.00 0.00 N ATOM 1786 CA PRO B 10 6.451 16.143 -2.851 1.00 0.00 C ATOM 1787 C PRO B 10 7.727 16.730 -3.476 1.00 0.00 C ATOM 1788 O PRO B 10 7.945 17.927 -3.466 1.00 0.00 O ATOM 1789 CB PRO B 10 6.123 16.829 -1.505 1.00 0.00 C ATOM 1790 CG PRO B 10 6.322 15.767 -0.382 1.00 0.00 C ATOM 1791 CD PRO B 10 6.682 14.428 -1.066 1.00 0.00 C ATOM 0 HA PRO B 10 5.646 16.284 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.775 17.687 -1.342 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.099 17.202 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.115 16.074 0.300 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.414 15.662 0.212 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.657 14.068 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.957 13.652 -0.821 1.00 0.00 H new ATOM 1799 N SER B 11 8.571 15.890 -4.012 1.00 0.00 N ATOM 1800 CA SER B 11 9.840 16.373 -4.629 1.00 0.00 C ATOM 1801 C SER B 11 9.594 16.747 -6.094 1.00 0.00 C ATOM 1802 O SER B 11 10.371 17.459 -6.700 1.00 0.00 O ATOM 1803 CB SER B 11 10.890 15.257 -4.550 1.00 0.00 C ATOM 1804 OG SER B 11 12.187 15.821 -4.699 1.00 0.00 O ATOM 0 H SER B 11 8.434 14.880 -4.049 1.00 0.00 H new ATOM 0 HA SER B 11 10.197 17.253 -4.094 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.814 14.738 -3.595 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.711 14.517 -5.330 1.00 0.00 H new ATOM 0 HG SER B 11 12.860 15.111 -4.647 1.00 0.00 H new