USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 682 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 3 SER OG : rot 180:sc= -0.0604 USER MOD Set 1.2: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0436 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0896 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 15 GLN : amide:sc= -0.031 K(o=-0.031,f=-1.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -3.35! C(o=-4.2!,f=-3.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -120:sc= -0.188 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 91:sc= 0.417 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 50 THR OG1 : rot -51:sc= 0.73 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 87:sc= 0.756 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 40:sc= 0.361 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 78 SER OG : rot 180:sc= -0.19 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 27:sc= 0.538 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.775 24.446 19.147 1.00 0.00 N ATOM 2 CA GLY A 1 19.980 23.297 18.752 1.00 0.00 C ATOM 3 C GLY A 1 18.563 23.362 19.286 1.00 0.00 C ATOM 4 O GLY A 1 18.298 24.031 20.286 1.00 0.00 O ATOM 0 H1 GLY A 1 20.962 25.041 18.315 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.256 24.999 19.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.677 24.122 19.551 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.953 23.235 17.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.459 22.386 19.112 1.00 0.00 H new ATOM 8 N SER A 2 17.648 22.666 18.619 1.00 0.00 N ATOM 9 CA SER A 2 16.248 22.651 19.029 1.00 0.00 C ATOM 10 C SER A 2 15.689 21.231 18.998 1.00 0.00 C ATOM 11 O SER A 2 16.199 20.367 18.285 1.00 0.00 O ATOM 12 CB SER A 2 15.419 23.559 18.122 1.00 0.00 C ATOM 13 OG SER A 2 15.786 24.919 18.286 1.00 0.00 O ATOM 0 H SER A 2 17.851 22.105 17.792 1.00 0.00 H new ATOM 0 HA SER A 2 16.190 23.023 20.052 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.559 23.264 17.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.360 23.435 18.349 1.00 0.00 H new ATOM 0 HG SER A 2 15.242 25.478 17.693 1.00 0.00 H new ATOM 19 N SER A 3 14.635 21.000 19.776 1.00 0.00 N ATOM 20 CA SER A 3 14.007 19.685 19.840 1.00 0.00 C ATOM 21 C SER A 3 13.584 19.218 18.451 1.00 0.00 C ATOM 22 O SER A 3 14.000 18.156 17.988 1.00 0.00 O ATOM 23 CB SER A 3 12.793 19.723 20.770 1.00 0.00 C ATOM 24 OG SER A 3 11.915 20.781 20.420 1.00 0.00 O ATOM 0 H SER A 3 14.199 21.705 20.370 1.00 0.00 H new ATOM 0 HA SER A 3 14.737 18.978 20.235 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.261 18.773 20.718 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.124 19.847 21.801 1.00 0.00 H new ATOM 0 HG SER A 3 11.146 20.783 21.028 1.00 0.00 H new ATOM 30 N GLY A 4 12.754 20.019 17.790 1.00 0.00 N ATOM 31 CA GLY A 4 12.287 19.670 16.460 1.00 0.00 C ATOM 32 C GLY A 4 11.293 20.675 15.914 1.00 0.00 C ATOM 33 O GLY A 4 10.144 20.333 15.636 1.00 0.00 O ATOM 0 H GLY A 4 12.396 20.903 18.151 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.140 19.603 15.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.824 18.684 16.488 1.00 0.00 H new ATOM 37 N SER A 5 11.736 21.918 15.757 1.00 0.00 N ATOM 38 CA SER A 5 10.877 22.978 15.244 1.00 0.00 C ATOM 39 C SER A 5 10.256 22.575 13.910 1.00 0.00 C ATOM 40 O SER A 5 9.033 22.524 13.770 1.00 0.00 O ATOM 41 CB SER A 5 11.670 24.274 15.079 1.00 0.00 C ATOM 42 OG SER A 5 12.825 24.068 14.283 1.00 0.00 O ATOM 0 H SER A 5 12.686 22.216 15.978 1.00 0.00 H new ATOM 0 HA SER A 5 10.076 23.142 15.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.039 25.034 14.619 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.962 24.652 16.059 1.00 0.00 H new ATOM 0 HG SER A 5 13.314 24.912 14.191 1.00 0.00 H new ATOM 48 N SER A 6 11.108 22.289 12.930 1.00 0.00 N ATOM 49 CA SER A 6 10.645 21.895 11.605 1.00 0.00 C ATOM 50 C SER A 6 9.998 20.514 11.645 1.00 0.00 C ATOM 51 O SER A 6 10.393 19.652 12.428 1.00 0.00 O ATOM 52 CB SER A 6 11.810 21.895 10.614 1.00 0.00 C ATOM 53 OG SER A 6 12.867 21.068 11.067 1.00 0.00 O ATOM 0 H SER A 6 12.123 22.323 13.029 1.00 0.00 H new ATOM 0 HA SER A 6 9.898 22.619 11.278 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.463 21.547 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.174 22.913 10.477 1.00 0.00 H new ATOM 0 HG SER A 6 13.598 21.085 10.414 1.00 0.00 H new ATOM 59 N GLY A 7 8.998 20.311 10.792 1.00 0.00 N ATOM 60 CA GLY A 7 8.310 19.034 10.744 1.00 0.00 C ATOM 61 C GLY A 7 6.807 19.189 10.621 1.00 0.00 C ATOM 62 O GLY A 7 6.315 20.248 10.235 1.00 0.00 O ATOM 0 H GLY A 7 8.652 21.009 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.683 18.456 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.541 18.466 11.645 1.00 0.00 H new ATOM 66 N ALA A 8 6.076 18.128 10.949 1.00 0.00 N ATOM 67 CA ALA A 8 4.622 18.151 10.873 1.00 0.00 C ATOM 68 C ALA A 8 3.996 17.828 12.226 1.00 0.00 C ATOM 69 O ALA A 8 3.970 16.672 12.650 1.00 0.00 O ATOM 70 CB ALA A 8 4.131 17.171 9.817 1.00 0.00 C ATOM 0 H ALA A 8 6.468 17.243 11.270 1.00 0.00 H new ATOM 0 HA ALA A 8 4.315 19.158 10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.042 17.200 9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.542 17.447 8.846 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.457 16.164 10.076 1.00 0.00 H new ATOM 76 N TYR A 9 3.492 18.856 12.901 1.00 0.00 N ATOM 77 CA TYR A 9 2.871 18.682 14.207 1.00 0.00 C ATOM 78 C TYR A 9 1.609 17.829 14.100 1.00 0.00 C ATOM 79 O TYR A 9 1.497 16.764 14.708 1.00 0.00 O ATOM 80 CB TYR A 9 2.530 20.042 14.818 1.00 0.00 C ATOM 81 CG TYR A 9 3.607 20.583 15.731 1.00 0.00 C ATOM 82 CD1 TYR A 9 4.687 21.293 15.217 1.00 0.00 C ATOM 83 CD2 TYR A 9 3.549 20.385 17.104 1.00 0.00 C ATOM 84 CE1 TYR A 9 5.674 21.789 16.046 1.00 0.00 C ATOM 85 CE2 TYR A 9 4.531 20.877 17.941 1.00 0.00 C ATOM 86 CZ TYR A 9 5.592 21.579 17.406 1.00 0.00 C ATOM 87 OH TYR A 9 6.574 22.071 18.237 1.00 0.00 O ATOM 0 H TYR A 9 3.502 19.819 12.564 1.00 0.00 H new ATOM 0 HA TYR A 9 3.582 18.168 14.854 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.353 20.758 14.015 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.599 19.956 15.379 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.755 21.459 14.152 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.720 19.836 17.525 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.506 22.339 15.631 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.469 20.714 19.007 1.00 0.00 H new ATOM 0 HH TYR A 9 6.954 22.886 17.848 1.00 0.00 H new ATOM 97 N PRO A 10 0.637 18.309 13.311 1.00 0.00 N ATOM 98 CA PRO A 10 -0.633 17.607 13.104 1.00 0.00 C ATOM 99 C PRO A 10 -0.464 16.330 12.288 1.00 0.00 C ATOM 100 O PRO A 10 -0.190 16.381 11.089 1.00 0.00 O ATOM 101 CB PRO A 10 -1.480 18.625 12.336 1.00 0.00 C ATOM 102 CG PRO A 10 -0.489 19.498 11.646 1.00 0.00 C ATOM 103 CD PRO A 10 0.704 19.573 12.557 1.00 0.00 C ATOM 0 HA PRO A 10 -1.079 17.285 14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.139 18.133 11.621 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.114 19.201 13.010 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.213 19.084 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.903 20.490 11.463 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.634 19.657 11.995 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.651 20.438 13.218 1.00 0.00 H new ATOM 111 N ASP A 11 -0.630 15.189 12.944 1.00 0.00 N ATOM 112 CA ASP A 11 -0.498 13.897 12.278 1.00 0.00 C ATOM 113 C ASP A 11 -1.673 13.647 11.340 1.00 0.00 C ATOM 114 O ASP A 11 -2.628 14.423 11.303 1.00 0.00 O ATOM 115 CB ASP A 11 -0.407 12.774 13.311 1.00 0.00 C ATOM 116 CG ASP A 11 0.329 11.558 12.781 1.00 0.00 C ATOM 117 OD1 ASP A 11 1.558 11.647 12.585 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.326 10.518 12.561 1.00 0.00 O ATOM 0 H ASP A 11 -0.856 15.130 13.937 1.00 0.00 H new ATOM 0 HA ASP A 11 0.418 13.912 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.102 13.144 14.201 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.412 12.482 13.616 1.00 0.00 H new ATOM 123 N PHE A 12 -1.597 12.559 10.580 1.00 0.00 N ATOM 124 CA PHE A 12 -2.654 12.208 9.639 1.00 0.00 C ATOM 125 C PHE A 12 -3.649 11.242 10.274 1.00 0.00 C ATOM 126 O PHE A 12 -3.323 10.537 11.229 1.00 0.00 O ATOM 127 CB PHE A 12 -2.055 11.584 8.376 1.00 0.00 C ATOM 128 CG PHE A 12 -3.054 11.385 7.273 1.00 0.00 C ATOM 129 CD1 PHE A 12 -3.736 12.464 6.736 1.00 0.00 C ATOM 130 CD2 PHE A 12 -3.313 10.118 6.775 1.00 0.00 C ATOM 131 CE1 PHE A 12 -4.657 12.285 5.721 1.00 0.00 C ATOM 132 CE2 PHE A 12 -4.232 9.932 5.759 1.00 0.00 C ATOM 133 CZ PHE A 12 -4.905 11.017 5.232 1.00 0.00 C ATOM 0 H PHE A 12 -0.814 11.905 10.598 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.184 13.122 9.369 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.248 12.221 8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.611 10.622 8.631 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.546 13.457 7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.791 9.266 7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.182 13.135 5.311 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.423 8.940 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.624 10.874 4.439 1.00 0.00 H new ATOM 143 N ALA A 13 -4.864 11.216 9.738 1.00 0.00 N ATOM 144 CA ALA A 13 -5.908 10.337 10.250 1.00 0.00 C ATOM 145 C ALA A 13 -6.346 9.330 9.192 1.00 0.00 C ATOM 146 O ALA A 13 -6.256 9.578 7.991 1.00 0.00 O ATOM 147 CB ALA A 13 -7.099 11.154 10.730 1.00 0.00 C ATOM 0 H ALA A 13 -5.150 11.794 8.948 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.499 9.782 11.094 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.871 10.484 11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.781 11.828 11.525 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.500 11.735 9.900 1.00 0.00 H new ATOM 153 N PRO A 14 -6.832 8.166 9.648 1.00 0.00 N ATOM 154 CA PRO A 14 -7.295 7.098 8.756 1.00 0.00 C ATOM 155 C PRO A 14 -8.585 7.466 8.031 1.00 0.00 C ATOM 156 O PRO A 14 -9.046 6.733 7.157 1.00 0.00 O ATOM 157 CB PRO A 14 -7.531 5.920 9.706 1.00 0.00 C ATOM 158 CG PRO A 14 -7.800 6.550 11.030 1.00 0.00 C ATOM 159 CD PRO A 14 -6.970 7.803 11.068 1.00 0.00 C ATOM 0 HA PRO A 14 -6.576 6.887 7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.373 5.310 9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.661 5.265 9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.859 6.780 11.145 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.530 5.878 11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.460 8.592 11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.000 7.628 11.534 1.00 0.00 H new ATOM 167 N GLN A 15 -9.161 8.604 8.400 1.00 0.00 N ATOM 168 CA GLN A 15 -10.399 9.070 7.785 1.00 0.00 C ATOM 169 C GLN A 15 -10.159 9.509 6.344 1.00 0.00 C ATOM 170 O GLN A 15 -9.021 9.534 5.872 1.00 0.00 O ATOM 171 CB GLN A 15 -10.993 10.226 8.590 1.00 0.00 C ATOM 172 CG GLN A 15 -11.375 9.844 10.012 1.00 0.00 C ATOM 173 CD GLN A 15 -11.658 11.052 10.884 1.00 0.00 C ATOM 174 OE1 GLN A 15 -11.220 12.163 10.587 1.00 0.00 O ATOM 175 NE2 GLN A 15 -12.395 10.838 11.967 1.00 0.00 N ATOM 0 H GLN A 15 -8.791 9.222 9.122 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.106 8.240 7.781 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.272 11.043 8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.876 10.601 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.257 9.203 9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.569 9.260 10.457 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.737 9.900 12.174 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.619 11.612 12.592 1.00 0.00 H new ATOM 184 N LYS A 16 -11.237 9.853 5.648 1.00 0.00 N ATOM 185 CA LYS A 16 -11.145 10.292 4.261 1.00 0.00 C ATOM 186 C LYS A 16 -10.455 9.238 3.401 1.00 0.00 C ATOM 187 O LYS A 16 -9.668 9.565 2.513 1.00 0.00 O ATOM 188 CB LYS A 16 -10.382 11.616 4.173 1.00 0.00 C ATOM 189 CG LYS A 16 -10.755 12.454 2.962 1.00 0.00 C ATOM 190 CD LYS A 16 -10.178 13.856 3.055 1.00 0.00 C ATOM 191 CE LYS A 16 -10.718 14.755 1.954 1.00 0.00 C ATOM 192 NZ LYS A 16 -10.531 16.198 2.273 1.00 0.00 N ATOM 0 H LYS A 16 -12.186 9.836 6.022 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.158 10.437 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.571 12.195 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.312 11.408 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.390 11.969 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.840 12.511 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.418 14.286 4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.091 13.809 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.214 14.522 1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.778 14.550 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.912 16.777 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.033 16.426 3.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.517 16.399 2.389 1.00 0.00 H new ATOM 206 N PHE A 17 -10.756 7.972 3.670 1.00 0.00 N ATOM 207 CA PHE A 17 -10.165 6.870 2.920 1.00 0.00 C ATOM 208 C PHE A 17 -11.179 5.749 2.712 1.00 0.00 C ATOM 209 O PHE A 17 -11.513 5.017 3.643 1.00 0.00 O ATOM 210 CB PHE A 17 -8.934 6.331 3.651 1.00 0.00 C ATOM 211 CG PHE A 17 -7.860 5.829 2.729 1.00 0.00 C ATOM 212 CD1 PHE A 17 -8.078 4.721 1.926 1.00 0.00 C ATOM 213 CD2 PHE A 17 -6.632 6.467 2.663 1.00 0.00 C ATOM 214 CE1 PHE A 17 -7.092 4.258 1.077 1.00 0.00 C ATOM 215 CE2 PHE A 17 -5.640 6.010 1.814 1.00 0.00 C ATOM 216 CZ PHE A 17 -5.872 4.903 1.019 1.00 0.00 C ATOM 0 H PHE A 17 -11.406 7.684 4.402 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.862 7.248 1.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.522 7.119 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.240 5.521 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.030 4.213 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.447 7.332 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.275 3.392 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.687 6.517 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.101 4.543 0.354 1.00 0.00 H new ATOM 226 N LYS A 18 -11.665 5.620 1.482 1.00 0.00 N ATOM 227 CA LYS A 18 -12.640 4.590 1.148 1.00 0.00 C ATOM 228 C LYS A 18 -11.956 3.373 0.532 1.00 0.00 C ATOM 229 O LYS A 18 -12.436 2.247 0.664 1.00 0.00 O ATOM 230 CB LYS A 18 -13.688 5.143 0.178 1.00 0.00 C ATOM 231 CG LYS A 18 -14.672 4.098 -0.317 1.00 0.00 C ATOM 232 CD LYS A 18 -15.704 3.757 0.746 1.00 0.00 C ATOM 233 CE LYS A 18 -16.707 4.886 0.930 1.00 0.00 C ATOM 234 NZ LYS A 18 -17.756 4.537 1.928 1.00 0.00 N ATOM 0 H LYS A 18 -11.399 6.217 0.699 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.134 4.282 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.239 5.944 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.180 5.586 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.176 4.466 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.132 3.196 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.229 2.844 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.201 3.557 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.185 5.787 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -17.177 5.114 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.420 5.331 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.271 3.692 1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.310 4.344 2.847 1.00 0.00 H new ATOM 248 N GLU A 19 -10.834 3.608 -0.140 1.00 0.00 N ATOM 249 CA GLU A 19 -10.084 2.529 -0.776 1.00 0.00 C ATOM 250 C GLU A 19 -9.459 1.612 0.272 1.00 0.00 C ATOM 251 O GLU A 19 -8.803 0.624 -0.063 1.00 0.00 O ATOM 252 CB GLU A 19 -8.994 3.101 -1.684 1.00 0.00 C ATOM 253 CG GLU A 19 -9.535 3.775 -2.934 1.00 0.00 C ATOM 254 CD GLU A 19 -10.548 2.918 -3.665 1.00 0.00 C ATOM 255 OE1 GLU A 19 -10.171 1.829 -4.146 1.00 0.00 O ATOM 256 OE2 GLU A 19 -11.723 3.335 -3.754 1.00 0.00 O ATOM 0 H GLU A 19 -10.424 4.534 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.778 1.944 -1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.404 3.822 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.319 2.297 -1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.997 4.723 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.708 4.006 -3.605 1.00 0.00 H new ATOM 263 N LYS A 20 -9.668 1.943 1.540 1.00 0.00 N ATOM 264 CA LYS A 20 -9.127 1.149 2.639 1.00 0.00 C ATOM 265 C LYS A 20 -9.976 1.311 3.896 1.00 0.00 C ATOM 266 O LYS A 20 -10.905 2.117 3.931 1.00 0.00 O ATOM 267 CB LYS A 20 -7.682 1.560 2.927 1.00 0.00 C ATOM 268 CG LYS A 20 -6.694 1.099 1.871 1.00 0.00 C ATOM 269 CD LYS A 20 -5.294 1.618 2.150 1.00 0.00 C ATOM 270 CE LYS A 20 -4.276 1.020 1.191 1.00 0.00 C ATOM 271 NZ LYS A 20 -4.287 1.710 -0.128 1.00 0.00 N ATOM 0 H LYS A 20 -10.209 2.756 1.834 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.147 0.100 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.632 2.646 3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.384 1.153 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.679 0.010 1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.022 1.444 0.890 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.283 2.704 2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.014 1.378 3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.280 1.089 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.489 -0.039 1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.580 1.274 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.230 1.623 -0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.059 2.716 0.005 1.00 0.00 H new ATOM 285 N THR A 21 -9.647 0.541 4.929 1.00 0.00 N ATOM 286 CA THR A 21 -10.377 0.599 6.189 1.00 0.00 C ATOM 287 C THR A 21 -9.424 0.621 7.377 1.00 0.00 C ATOM 288 O THR A 21 -8.312 0.099 7.301 1.00 0.00 O ATOM 289 CB THR A 21 -11.338 -0.596 6.337 1.00 0.00 C ATOM 290 OG1 THR A 21 -12.125 -0.448 7.524 1.00 0.00 O ATOM 291 CG2 THR A 21 -10.565 -1.906 6.396 1.00 0.00 C ATOM 0 H THR A 21 -8.879 -0.130 4.917 1.00 0.00 H new ATOM 0 HA THR A 21 -10.956 1.522 6.176 1.00 0.00 H new ATOM 0 HB THR A 21 -11.994 -0.617 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.734 -1.211 7.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.263 -2.736 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.989 -2.030 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.889 -1.891 7.251 1.00 0.00 H new ATOM 299 N GLN A 22 -9.866 1.229 8.473 1.00 0.00 N ATOM 300 CA GLN A 22 -9.049 1.318 9.678 1.00 0.00 C ATOM 301 C GLN A 22 -8.205 0.061 9.859 1.00 0.00 C ATOM 302 O GLN A 22 -7.021 0.137 10.181 1.00 0.00 O ATOM 303 CB GLN A 22 -9.936 1.532 10.906 1.00 0.00 C ATOM 304 CG GLN A 22 -10.801 2.779 10.821 1.00 0.00 C ATOM 305 CD GLN A 22 -11.611 3.014 12.082 1.00 0.00 C ATOM 306 OE1 GLN A 22 -12.625 2.356 12.315 1.00 0.00 O ATOM 307 NE2 GLN A 22 -11.166 3.958 12.903 1.00 0.00 N ATOM 0 H GLN A 22 -10.784 1.667 8.552 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.378 2.170 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.579 0.662 11.035 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.305 1.597 11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.166 3.645 10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.477 2.691 9.971 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.321 4.479 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.669 4.162 13.766 1.00 0.00 H new ATOM 316 N GLY A 23 -8.824 -1.098 9.648 1.00 0.00 N ATOM 317 CA GLY A 23 -8.116 -2.355 9.793 1.00 0.00 C ATOM 318 C GLY A 23 -6.851 -2.407 8.959 1.00 0.00 C ATOM 319 O GLY A 23 -5.750 -2.542 9.496 1.00 0.00 O ATOM 0 H GLY A 23 -9.804 -1.187 9.379 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.862 -2.507 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.773 -3.174 9.502 1.00 0.00 H new ATOM 323 N GLN A 24 -7.007 -2.300 7.643 1.00 0.00 N ATOM 324 CA GLN A 24 -5.866 -2.339 6.734 1.00 0.00 C ATOM 325 C GLN A 24 -4.827 -1.294 7.123 1.00 0.00 C ATOM 326 O GLN A 24 -3.675 -1.625 7.408 1.00 0.00 O ATOM 327 CB GLN A 24 -6.329 -2.104 5.295 1.00 0.00 C ATOM 328 CG GLN A 24 -7.310 -3.150 4.794 1.00 0.00 C ATOM 329 CD GLN A 24 -7.889 -2.805 3.436 1.00 0.00 C ATOM 330 OE1 GLN A 24 -7.024 -2.700 2.433 1.00 0.00 O flip ATOM 331 NE2 GLN A 24 -9.099 -2.635 3.288 1.00 0.00 N flip ATOM 0 H GLN A 24 -7.910 -2.186 7.183 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.407 -3.325 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.794 -1.120 5.228 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.458 -2.091 4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.807 -4.115 4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.121 -3.256 5.514 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.728 -2.725 4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.473 -2.404 2.368 1.00 0.00 H new ATOM 340 N VAL A 25 -5.236 -0.030 7.130 1.00 0.00 N ATOM 341 CA VAL A 25 -4.340 1.064 7.484 1.00 0.00 C ATOM 342 C VAL A 25 -3.582 0.758 8.772 1.00 0.00 C ATOM 343 O VAL A 25 -2.364 0.919 8.841 1.00 0.00 O ATOM 344 CB VAL A 25 -5.109 2.388 7.656 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.163 3.505 8.070 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.841 2.748 6.372 1.00 0.00 C ATOM 0 H VAL A 25 -6.184 0.262 6.894 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.630 1.170 6.664 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.849 2.259 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.724 4.432 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.687 3.247 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.399 3.637 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.379 3.686 6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.121 2.859 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.548 1.957 6.123 1.00 0.00 H new ATOM 356 N LYS A 26 -4.312 0.317 9.791 1.00 0.00 N ATOM 357 CA LYS A 26 -3.711 -0.013 11.077 1.00 0.00 C ATOM 358 C LYS A 26 -2.583 -1.027 10.906 1.00 0.00 C ATOM 359 O LYS A 26 -1.543 -0.928 11.557 1.00 0.00 O ATOM 360 CB LYS A 26 -4.770 -0.569 12.031 1.00 0.00 C ATOM 361 CG LYS A 26 -4.311 -0.637 13.477 1.00 0.00 C ATOM 362 CD LYS A 26 -5.050 -1.718 14.246 1.00 0.00 C ATOM 363 CE LYS A 26 -4.405 -1.979 15.600 1.00 0.00 C ATOM 364 NZ LYS A 26 -4.830 -3.286 16.174 1.00 0.00 N ATOM 0 H LYS A 26 -5.322 0.180 9.751 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.294 0.901 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.663 0.053 11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.055 -1.568 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.239 -0.833 13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.474 0.328 13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.089 -1.420 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.060 -2.639 13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.320 -1.964 15.494 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.669 -1.177 16.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.369 -3.427 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.862 -3.291 16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.555 -4.054 15.529 1.00 0.00 H new ATOM 378 N ILE A 27 -2.797 -1.999 10.026 1.00 0.00 N ATOM 379 CA ILE A 27 -1.797 -3.029 9.769 1.00 0.00 C ATOM 380 C ILE A 27 -0.555 -2.437 9.111 1.00 0.00 C ATOM 381 O ILE A 27 0.572 -2.820 9.430 1.00 0.00 O ATOM 382 CB ILE A 27 -2.358 -4.145 8.868 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.585 -4.788 9.520 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.288 -5.192 8.594 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.464 -5.538 8.544 1.00 0.00 C ATOM 0 H ILE A 27 -3.653 -2.095 9.479 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.526 -3.454 10.735 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.662 -3.707 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.254 -5.474 10.300 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.176 -4.012 10.007 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.699 -5.974 7.956 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.440 -4.724 8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.957 -5.629 9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.314 -5.967 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.824 -4.852 7.777 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.888 -6.336 8.075 1.00 0.00 H new ATOM 397 N LEU A 28 -0.768 -1.500 8.194 1.00 0.00 N ATOM 398 CA LEU A 28 0.335 -0.851 7.492 1.00 0.00 C ATOM 399 C LEU A 28 1.114 0.065 8.431 1.00 0.00 C ATOM 400 O LEU A 28 2.337 -0.023 8.523 1.00 0.00 O ATOM 401 CB LEU A 28 -0.194 -0.051 6.302 1.00 0.00 C ATOM 402 CG LEU A 28 -1.000 -0.838 5.267 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.600 0.100 4.232 1.00 0.00 C ATOM 404 CD2 LEU A 28 -0.125 -1.886 4.595 1.00 0.00 C ATOM 0 H LEU A 28 -1.694 -1.172 7.919 1.00 0.00 H new ATOM 0 HA LEU A 28 1.010 -1.626 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.820 0.756 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.653 0.413 5.797 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.815 -1.348 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.170 -0.478 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.260 0.813 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.801 0.639 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.715 -2.436 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.710 -1.396 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.257 -2.577 5.346 1.00 0.00 H new ATOM 416 N GLU A 29 0.396 0.941 9.125 1.00 0.00 N ATOM 417 CA GLU A 29 1.021 1.873 10.057 1.00 0.00 C ATOM 418 C GLU A 29 1.961 1.140 11.009 1.00 0.00 C ATOM 419 O GLU A 29 3.114 1.537 11.190 1.00 0.00 O ATOM 420 CB GLU A 29 -0.047 2.623 10.856 1.00 0.00 C ATOM 421 CG GLU A 29 -0.494 3.922 10.203 1.00 0.00 C ATOM 422 CD GLU A 29 -1.607 4.606 10.970 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.313 3.917 11.736 1.00 0.00 O ATOM 424 OE2 GLU A 29 -1.774 5.834 10.805 1.00 0.00 O ATOM 0 H GLU A 29 -0.618 1.025 9.060 1.00 0.00 H new ATOM 0 HA GLU A 29 1.603 2.591 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.913 1.975 10.987 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.341 2.841 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.358 4.598 10.126 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.831 3.717 9.187 1.00 0.00 H new ATOM 431 N ASP A 30 1.462 0.069 11.617 1.00 0.00 N ATOM 432 CA ASP A 30 2.257 -0.720 12.551 1.00 0.00 C ATOM 433 C ASP A 30 3.557 -1.185 11.900 1.00 0.00 C ATOM 434 O ASP A 30 4.620 -1.150 12.521 1.00 0.00 O ATOM 435 CB ASP A 30 1.458 -1.930 13.040 1.00 0.00 C ATOM 436 CG ASP A 30 2.167 -2.683 14.147 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.297 -3.160 13.911 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.592 -2.796 15.250 1.00 0.00 O ATOM 0 H ASP A 30 0.511 -0.273 11.480 1.00 0.00 H new ATOM 0 HA ASP A 30 2.503 -0.087 13.404 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.483 -1.598 13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.278 -2.605 12.203 1.00 0.00 H new ATOM 443 N SER A 31 3.464 -1.618 10.648 1.00 0.00 N ATOM 444 CA SER A 31 4.632 -2.094 9.916 1.00 0.00 C ATOM 445 C SER A 31 5.592 -0.946 9.619 1.00 0.00 C ATOM 446 O SER A 31 6.776 -1.008 9.953 1.00 0.00 O ATOM 447 CB SER A 31 4.202 -2.766 8.609 1.00 0.00 C ATOM 448 OG SER A 31 5.128 -3.766 8.223 1.00 0.00 O ATOM 0 H SER A 31 2.593 -1.649 10.119 1.00 0.00 H new ATOM 0 HA SER A 31 5.148 -2.824 10.539 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.214 -3.209 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.120 -2.017 7.821 1.00 0.00 H new ATOM 0 HG SER A 31 5.499 -3.546 7.343 1.00 0.00 H new ATOM 454 N PHE A 32 5.072 0.102 8.989 1.00 0.00 N ATOM 455 CA PHE A 32 5.882 1.267 8.646 1.00 0.00 C ATOM 456 C PHE A 32 6.510 1.880 9.894 1.00 0.00 C ATOM 457 O PHE A 32 7.731 1.872 10.058 1.00 0.00 O ATOM 458 CB PHE A 32 5.031 2.311 7.923 1.00 0.00 C ATOM 459 CG PHE A 32 5.839 3.391 7.261 1.00 0.00 C ATOM 460 CD1 PHE A 32 6.523 3.138 6.083 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.916 4.657 7.818 1.00 0.00 C ATOM 462 CE1 PHE A 32 7.268 4.130 5.471 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.659 5.651 7.212 1.00 0.00 C ATOM 464 CZ PHE A 32 7.337 5.388 6.037 1.00 0.00 C ATOM 0 H PHE A 32 4.095 0.169 8.705 1.00 0.00 H new ATOM 0 HA PHE A 32 6.682 0.939 7.983 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.421 1.812 7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.346 2.767 8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.474 2.155 5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.389 4.869 8.737 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.795 3.921 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.710 6.634 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.919 6.164 5.563 1.00 0.00 H new ATOM 474 N LEU A 33 5.667 2.413 10.772 1.00 0.00 N ATOM 475 CA LEU A 33 6.137 3.033 12.005 1.00 0.00 C ATOM 476 C LEU A 33 7.370 2.312 12.541 1.00 0.00 C ATOM 477 O LEU A 33 8.281 2.937 13.084 1.00 0.00 O ATOM 478 CB LEU A 33 5.029 3.022 13.059 1.00 0.00 C ATOM 479 CG LEU A 33 3.878 4.002 12.833 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.735 3.715 13.795 1.00 0.00 C ATOM 481 CD2 LEU A 33 4.362 5.437 12.989 1.00 0.00 C ATOM 0 H LEU A 33 4.654 2.428 10.652 1.00 0.00 H new ATOM 0 HA LEU A 33 6.409 4.065 11.783 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.617 2.015 13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.476 3.236 14.030 1.00 0.00 H new ATOM 0 HG LEU A 33 3.510 3.872 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.925 4.423 13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.371 2.700 13.635 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.089 3.816 14.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.530 6.122 12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.757 5.580 13.995 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.146 5.638 12.259 1.00 0.00 H new ATOM 493 N LYS A 34 7.394 0.992 12.382 1.00 0.00 N ATOM 494 CA LYS A 34 8.517 0.185 12.845 1.00 0.00 C ATOM 495 C LYS A 34 9.690 0.276 11.874 1.00 0.00 C ATOM 496 O LYS A 34 10.805 0.621 12.263 1.00 0.00 O ATOM 497 CB LYS A 34 8.088 -1.274 13.009 1.00 0.00 C ATOM 498 CG LYS A 34 7.361 -1.551 14.314 1.00 0.00 C ATOM 499 CD LYS A 34 7.003 -3.021 14.451 1.00 0.00 C ATOM 500 CE LYS A 34 8.223 -3.862 14.794 1.00 0.00 C ATOM 501 NZ LYS A 34 7.925 -5.321 14.747 1.00 0.00 N ATOM 0 H LYS A 34 6.648 0.459 11.936 1.00 0.00 H new ATOM 0 HA LYS A 34 8.838 0.574 13.811 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.441 -1.549 12.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.970 -1.912 12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.988 -1.249 15.152 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.454 -0.949 14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.247 -3.142 15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.564 -3.378 13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.029 -3.634 14.096 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.579 -3.596 15.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.782 -5.858 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.174 -5.544 15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.610 -5.580 13.790 1.00 0.00 H new ATOM 515 N SER A 35 9.428 -0.035 10.608 1.00 0.00 N ATOM 516 CA SER A 35 10.463 0.008 9.581 1.00 0.00 C ATOM 517 C SER A 35 9.897 0.520 8.261 1.00 0.00 C ATOM 518 O SER A 35 9.122 -0.167 7.596 1.00 0.00 O ATOM 519 CB SER A 35 11.073 -1.381 9.383 1.00 0.00 C ATOM 520 OG SER A 35 11.847 -1.762 10.507 1.00 0.00 O ATOM 0 H SER A 35 8.509 -0.319 10.269 1.00 0.00 H new ATOM 0 HA SER A 35 11.242 0.695 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.280 -2.110 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.697 -1.384 8.490 1.00 0.00 H new ATOM 0 HG SER A 35 12.225 -2.654 10.357 1.00 0.00 H new ATOM 526 N SER A 36 10.288 1.735 7.886 1.00 0.00 N ATOM 527 CA SER A 36 9.818 2.342 6.648 1.00 0.00 C ATOM 528 C SER A 36 9.805 1.322 5.513 1.00 0.00 C ATOM 529 O SER A 36 8.819 1.196 4.787 1.00 0.00 O ATOM 530 CB SER A 36 10.702 3.531 6.270 1.00 0.00 C ATOM 531 OG SER A 36 12.070 3.165 6.252 1.00 0.00 O ATOM 0 H SER A 36 10.930 2.318 8.424 1.00 0.00 H new ATOM 0 HA SER A 36 8.799 2.693 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.410 3.908 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.549 4.342 6.982 1.00 0.00 H new ATOM 0 HG SER A 36 12.318 2.871 5.351 1.00 0.00 H new ATOM 537 N PHE A 37 10.909 0.595 5.366 1.00 0.00 N ATOM 538 CA PHE A 37 11.025 -0.413 4.320 1.00 0.00 C ATOM 539 C PHE A 37 10.874 -1.817 4.898 1.00 0.00 C ATOM 540 O PHE A 37 11.796 -2.371 5.499 1.00 0.00 O ATOM 541 CB PHE A 37 12.375 -0.286 3.609 1.00 0.00 C ATOM 542 CG PHE A 37 12.775 1.136 3.333 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.023 1.927 2.477 1.00 0.00 C ATOM 544 CD2 PHE A 37 13.901 1.681 3.926 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.388 3.235 2.221 1.00 0.00 C ATOM 546 CE2 PHE A 37 14.271 2.988 3.674 1.00 0.00 C ATOM 547 CZ PHE A 37 13.514 3.766 2.820 1.00 0.00 C ATOM 0 H PHE A 37 11.735 0.686 5.958 1.00 0.00 H new ATOM 0 HA PHE A 37 10.224 -0.247 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.144 -0.760 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.334 -0.833 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.143 1.516 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 37 14.497 1.077 4.594 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.794 3.841 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 37 15.151 3.401 4.144 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.802 4.788 2.621 1.00 0.00 H new ATOM 557 N PRO A 38 9.684 -2.407 4.713 1.00 0.00 N ATOM 558 CA PRO A 38 9.383 -3.754 5.210 1.00 0.00 C ATOM 559 C PRO A 38 10.146 -4.835 4.452 1.00 0.00 C ATOM 560 O PRO A 38 10.678 -4.591 3.368 1.00 0.00 O ATOM 561 CB PRO A 38 7.877 -3.892 4.966 1.00 0.00 C ATOM 562 CG PRO A 38 7.588 -2.956 3.844 1.00 0.00 C ATOM 563 CD PRO A 38 8.541 -1.806 4.007 1.00 0.00 C ATOM 0 HA PRO A 38 9.674 -3.879 6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.610 -4.916 4.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.306 -3.630 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.730 -3.446 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.554 -2.613 3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.837 -1.390 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.096 -0.994 4.582 1.00 0.00 H new ATOM 571 N THR A 39 10.197 -6.032 5.028 1.00 0.00 N ATOM 572 CA THR A 39 10.896 -7.150 4.408 1.00 0.00 C ATOM 573 C THR A 39 9.915 -8.110 3.744 1.00 0.00 C ATOM 574 O THR A 39 8.736 -8.145 4.091 1.00 0.00 O ATOM 575 CB THR A 39 11.740 -7.925 5.437 1.00 0.00 C ATOM 576 OG1 THR A 39 12.599 -8.855 4.766 1.00 0.00 O ATOM 577 CG2 THR A 39 10.847 -8.670 6.419 1.00 0.00 C ATOM 0 H THR A 39 9.762 -6.252 5.924 1.00 0.00 H new ATOM 0 HA THR A 39 11.558 -6.729 3.651 1.00 0.00 H new ATOM 0 HB THR A 39 12.344 -7.207 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.133 -9.342 5.427 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.466 -9.210 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.215 -7.957 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.220 -9.377 5.876 1.00 0.00 H new ATOM 585 N GLN A 40 10.413 -8.889 2.789 1.00 0.00 N ATOM 586 CA GLN A 40 9.579 -9.851 2.077 1.00 0.00 C ATOM 587 C GLN A 40 8.643 -10.576 3.037 1.00 0.00 C ATOM 588 O GLN A 40 7.460 -10.757 2.749 1.00 0.00 O ATOM 589 CB GLN A 40 10.453 -10.864 1.335 1.00 0.00 C ATOM 590 CG GLN A 40 11.328 -10.241 0.259 1.00 0.00 C ATOM 591 CD GLN A 40 10.582 -10.018 -1.042 1.00 0.00 C ATOM 592 OE1 GLN A 40 10.179 -10.969 -1.710 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.398 -8.755 -1.409 1.00 0.00 N ATOM 0 H GLN A 40 11.388 -8.873 2.491 1.00 0.00 H new ATOM 0 HA GLN A 40 8.974 -9.304 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.089 -11.379 2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.812 -11.619 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.717 -9.288 0.619 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.187 -10.887 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.750 -7.997 -0.824 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.905 -8.543 -2.276 1.00 0.00 H new ATOM 602 N ALA A 41 9.180 -10.988 4.180 1.00 0.00 N ATOM 603 CA ALA A 41 8.392 -11.693 5.185 1.00 0.00 C ATOM 604 C ALA A 41 7.254 -10.819 5.701 1.00 0.00 C ATOM 605 O ALA A 41 6.100 -11.242 5.731 1.00 0.00 O ATOM 606 CB ALA A 41 9.280 -12.140 6.335 1.00 0.00 C ATOM 0 H ALA A 41 10.158 -10.846 4.434 1.00 0.00 H new ATOM 0 HA ALA A 41 7.955 -12.574 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.678 -12.665 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.055 -12.808 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.745 -11.268 6.796 1.00 0.00 H new ATOM 612 N GLU A 42 7.590 -9.598 6.108 1.00 0.00 N ATOM 613 CA GLU A 42 6.595 -8.666 6.625 1.00 0.00 C ATOM 614 C GLU A 42 5.517 -8.387 5.582 1.00 0.00 C ATOM 615 O GLU A 42 4.361 -8.778 5.748 1.00 0.00 O ATOM 616 CB GLU A 42 7.263 -7.355 7.046 1.00 0.00 C ATOM 617 CG GLU A 42 6.429 -6.531 8.013 1.00 0.00 C ATOM 618 CD GLU A 42 6.432 -7.099 9.419 1.00 0.00 C ATOM 619 OE1 GLU A 42 6.723 -8.305 9.571 1.00 0.00 O ATOM 620 OE2 GLU A 42 6.142 -6.340 10.366 1.00 0.00 O ATOM 0 H GLU A 42 8.542 -9.232 6.090 1.00 0.00 H new ATOM 0 HA GLU A 42 6.125 -9.123 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.225 -7.579 7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.468 -6.759 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.811 -5.510 8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.403 -6.479 7.649 1.00 0.00 H new ATOM 627 N LEU A 43 5.902 -7.707 4.508 1.00 0.00 N ATOM 628 CA LEU A 43 4.969 -7.373 3.438 1.00 0.00 C ATOM 629 C LEU A 43 4.064 -8.559 3.116 1.00 0.00 C ATOM 630 O LEU A 43 2.839 -8.443 3.144 1.00 0.00 O ATOM 631 CB LEU A 43 5.733 -6.947 2.183 1.00 0.00 C ATOM 632 CG LEU A 43 6.045 -5.455 2.062 1.00 0.00 C ATOM 633 CD1 LEU A 43 7.048 -5.206 0.946 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.768 -4.661 1.822 1.00 0.00 C ATOM 0 H LEU A 43 6.855 -7.376 4.355 1.00 0.00 H new ATOM 0 HA LEU A 43 4.347 -6.544 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.673 -7.498 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.155 -7.249 1.310 1.00 0.00 H new ATOM 0 HG LEU A 43 6.488 -5.119 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.257 -4.138 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.972 -5.743 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.635 -5.558 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.009 -3.601 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.297 -5.000 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.083 -4.813 2.656 1.00 0.00 H new ATOM 646 N ASP A 44 4.676 -9.699 2.813 1.00 0.00 N ATOM 647 CA ASP A 44 3.925 -10.907 2.490 1.00 0.00 C ATOM 648 C ASP A 44 2.755 -11.092 3.449 1.00 0.00 C ATOM 649 O ASP A 44 1.655 -11.464 3.037 1.00 0.00 O ATOM 650 CB ASP A 44 4.841 -12.130 2.541 1.00 0.00 C ATOM 651 CG ASP A 44 4.083 -13.428 2.345 1.00 0.00 C ATOM 652 OD1 ASP A 44 3.009 -13.587 2.962 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.565 -14.287 1.576 1.00 0.00 O ATOM 0 H ASP A 44 5.689 -9.812 2.784 1.00 0.00 H new ATOM 0 HA ASP A 44 3.529 -10.801 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.607 -12.040 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.356 -12.155 3.501 1.00 0.00 H new ATOM 658 N ARG A 45 2.997 -10.831 4.728 1.00 0.00 N ATOM 659 CA ARG A 45 1.963 -10.971 5.747 1.00 0.00 C ATOM 660 C ARG A 45 0.927 -9.857 5.626 1.00 0.00 C ATOM 661 O ARG A 45 -0.272 -10.091 5.782 1.00 0.00 O ATOM 662 CB ARG A 45 2.588 -10.952 7.144 1.00 0.00 C ATOM 663 CG ARG A 45 1.797 -11.743 8.174 1.00 0.00 C ATOM 664 CD ARG A 45 2.677 -12.184 9.332 1.00 0.00 C ATOM 665 NE ARG A 45 3.311 -13.476 9.077 1.00 0.00 N ATOM 666 CZ ARG A 45 2.664 -14.634 9.132 1.00 0.00 C ATOM 667 NH1 ARG A 45 1.373 -14.664 9.431 1.00 0.00 N ATOM 668 NH2 ARG A 45 3.309 -15.768 8.887 1.00 0.00 N ATOM 0 H ARG A 45 3.901 -10.521 5.085 1.00 0.00 H new ATOM 0 HA ARG A 45 1.463 -11.927 5.593 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.599 -11.355 7.086 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.675 -9.919 7.480 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.976 -11.133 8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.352 -12.618 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.446 -11.432 9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.077 -12.248 10.240 1.00 0.00 H new ATOM 0 HE ARG A 45 4.304 -13.489 8.844 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.873 -13.795 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.880 -15.556 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.302 -15.750 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.811 -16.657 8.929 1.00 0.00 H new ATOM 682 N LEU A 46 1.397 -8.647 5.348 1.00 0.00 N ATOM 683 CA LEU A 46 0.512 -7.497 5.206 1.00 0.00 C ATOM 684 C LEU A 46 -0.568 -7.765 4.163 1.00 0.00 C ATOM 685 O LEU A 46 -1.755 -7.818 4.485 1.00 0.00 O ATOM 686 CB LEU A 46 1.315 -6.253 4.818 1.00 0.00 C ATOM 687 CG LEU A 46 2.541 -5.950 5.680 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.274 -4.725 5.154 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.134 -5.747 7.132 1.00 0.00 C ATOM 0 H LEU A 46 2.386 -8.436 5.216 1.00 0.00 H new ATOM 0 HA LEU A 46 0.028 -7.323 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.641 -6.364 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.650 -5.390 4.852 1.00 0.00 H new ATOM 0 HG LEU A 46 3.218 -6.803 5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.144 -4.525 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.599 -4.907 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.606 -3.864 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.019 -5.532 7.731 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.437 -4.912 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.654 -6.652 7.505 1.00 0.00 H new ATOM 701 N ARG A 47 -0.148 -7.937 2.915 1.00 0.00 N ATOM 702 CA ARG A 47 -1.079 -8.200 1.824 1.00 0.00 C ATOM 703 C ARG A 47 -2.235 -9.076 2.297 1.00 0.00 C ATOM 704 O ARG A 47 -3.395 -8.818 1.974 1.00 0.00 O ATOM 705 CB ARG A 47 -0.355 -8.879 0.660 1.00 0.00 C ATOM 706 CG ARG A 47 0.672 -7.989 -0.021 1.00 0.00 C ATOM 707 CD ARG A 47 1.244 -8.647 -1.266 1.00 0.00 C ATOM 708 NE ARG A 47 0.197 -9.044 -2.203 1.00 0.00 N ATOM 709 CZ ARG A 47 0.397 -9.878 -3.218 1.00 0.00 C ATOM 710 NH1 ARG A 47 1.599 -10.399 -3.426 1.00 0.00 N ATOM 711 NH2 ARG A 47 -0.606 -10.191 -4.029 1.00 0.00 N ATOM 0 H ARG A 47 0.832 -7.899 2.633 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.482 -7.246 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.141 -9.777 1.027 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.091 -9.200 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.210 -7.039 -0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.479 -7.764 0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.929 -7.957 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.825 -9.523 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.739 -8.660 -2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.373 -10.160 -2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.749 -11.039 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.531 -9.791 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.451 -10.831 -4.808 1.00 0.00 H new ATOM 725 N VAL A 48 -1.911 -10.112 3.064 1.00 0.00 N ATOM 726 CA VAL A 48 -2.922 -11.026 3.582 1.00 0.00 C ATOM 727 C VAL A 48 -3.892 -10.303 4.510 1.00 0.00 C ATOM 728 O VAL A 48 -5.065 -10.130 4.184 1.00 0.00 O ATOM 729 CB VAL A 48 -2.280 -12.200 4.344 1.00 0.00 C ATOM 730 CG1 VAL A 48 -3.196 -13.415 4.324 1.00 0.00 C ATOM 731 CG2 VAL A 48 -0.920 -12.538 3.752 1.00 0.00 C ATOM 0 H VAL A 48 -0.956 -10.339 3.340 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.467 -11.415 2.722 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.135 -11.901 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.725 -14.234 4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.145 -13.163 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.375 -13.719 3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.480 -13.370 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.038 -12.818 2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.266 -11.669 3.824 1.00 0.00 H new ATOM 741 N GLU A 49 -3.394 -9.883 5.669 1.00 0.00 N ATOM 742 CA GLU A 49 -4.216 -9.177 6.644 1.00 0.00 C ATOM 743 C GLU A 49 -4.969 -8.023 5.988 1.00 0.00 C ATOM 744 O GLU A 49 -6.191 -7.919 6.100 1.00 0.00 O ATOM 745 CB GLU A 49 -3.351 -8.652 7.790 1.00 0.00 C ATOM 746 CG GLU A 49 -2.768 -9.749 8.666 1.00 0.00 C ATOM 747 CD GLU A 49 -3.731 -10.211 9.740 1.00 0.00 C ATOM 748 OE1 GLU A 49 -4.793 -10.766 9.388 1.00 0.00 O ATOM 749 OE2 GLU A 49 -3.423 -10.019 10.935 1.00 0.00 O ATOM 0 H GLU A 49 -2.425 -10.020 5.955 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.945 -9.882 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.536 -8.058 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.950 -7.984 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.491 -10.599 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.853 -9.387 9.135 1.00 0.00 H new ATOM 756 N THR A 50 -4.229 -7.155 5.305 1.00 0.00 N ATOM 757 CA THR A 50 -4.823 -6.007 4.632 1.00 0.00 C ATOM 758 C THR A 50 -5.539 -6.427 3.354 1.00 0.00 C ATOM 759 O THR A 50 -6.267 -5.640 2.750 1.00 0.00 O ATOM 760 CB THR A 50 -3.761 -4.946 4.288 1.00 0.00 C ATOM 761 OG1 THR A 50 -2.856 -5.460 3.305 1.00 0.00 O ATOM 762 CG2 THR A 50 -2.987 -4.531 5.529 1.00 0.00 C ATOM 0 H THR A 50 -3.217 -7.226 5.204 1.00 0.00 H new ATOM 0 HA THR A 50 -5.546 -5.575 5.324 1.00 0.00 H new ATOM 0 HB THR A 50 -4.272 -4.070 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.519 -6.333 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.243 -3.781 5.260 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.675 -4.113 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.487 -5.401 5.954 1.00 0.00 H new ATOM 770 N LYS A 51 -5.327 -7.674 2.945 1.00 0.00 N ATOM 771 CA LYS A 51 -5.953 -8.202 1.739 1.00 0.00 C ATOM 772 C LYS A 51 -5.684 -7.292 0.545 1.00 0.00 C ATOM 773 O LYS A 51 -6.598 -6.948 -0.204 1.00 0.00 O ATOM 774 CB LYS A 51 -7.461 -8.353 1.948 1.00 0.00 C ATOM 775 CG LYS A 51 -7.831 -9.436 2.948 1.00 0.00 C ATOM 776 CD LYS A 51 -7.750 -10.821 2.325 1.00 0.00 C ATOM 777 CE LYS A 51 -8.014 -11.910 3.353 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.466 -12.047 3.654 1.00 0.00 N ATOM 0 H LYS A 51 -4.725 -8.338 3.432 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.521 -9.181 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.869 -7.401 2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.931 -8.578 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.163 -9.383 3.807 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.841 -9.261 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.475 -10.900 1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.764 -10.966 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.628 -12.860 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.473 -11.682 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.605 -12.799 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.829 -11.148 4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.980 -12.290 2.783 1.00 0.00 H new ATOM 792 N LEU A 52 -4.424 -6.909 0.371 1.00 0.00 N ATOM 793 CA LEU A 52 -4.033 -6.041 -0.734 1.00 0.00 C ATOM 794 C LEU A 52 -2.956 -6.701 -1.591 1.00 0.00 C ATOM 795 O LEU A 52 -2.443 -7.765 -1.248 1.00 0.00 O ATOM 796 CB LEU A 52 -3.524 -4.700 -0.200 1.00 0.00 C ATOM 797 CG LEU A 52 -4.527 -3.878 0.611 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.815 -2.768 1.370 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.602 -3.300 -0.298 1.00 0.00 C ATOM 0 H LEU A 52 -3.655 -7.186 0.981 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.911 -5.868 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.650 -4.888 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.190 -4.098 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.007 -4.536 1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.543 -2.193 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.083 -3.204 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.308 -2.111 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.307 -2.718 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.139 -2.656 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.132 -4.112 -0.797 1.00 0.00 H new ATOM 811 N SER A 53 -2.620 -6.061 -2.706 1.00 0.00 N ATOM 812 CA SER A 53 -1.607 -6.587 -3.613 1.00 0.00 C ATOM 813 C SER A 53 -0.253 -5.934 -3.352 1.00 0.00 C ATOM 814 O SER A 53 -0.128 -5.058 -2.494 1.00 0.00 O ATOM 815 CB SER A 53 -2.023 -6.355 -5.067 1.00 0.00 C ATOM 816 OG SER A 53 -2.780 -7.448 -5.560 1.00 0.00 O ATOM 0 H SER A 53 -3.034 -5.178 -3.003 1.00 0.00 H new ATOM 0 HA SER A 53 -1.517 -7.658 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.610 -5.439 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.136 -6.214 -5.685 1.00 0.00 H new ATOM 0 HG SER A 53 -3.036 -7.276 -6.490 1.00 0.00 H new ATOM 822 N ARG A 54 0.760 -6.367 -4.095 1.00 0.00 N ATOM 823 CA ARG A 54 2.105 -5.827 -3.943 1.00 0.00 C ATOM 824 C ARG A 54 2.155 -4.362 -4.368 1.00 0.00 C ATOM 825 O ARG A 54 2.810 -3.541 -3.727 1.00 0.00 O ATOM 826 CB ARG A 54 3.101 -6.643 -4.770 1.00 0.00 C ATOM 827 CG ARG A 54 3.627 -7.874 -4.049 1.00 0.00 C ATOM 828 CD ARG A 54 4.580 -7.496 -2.926 1.00 0.00 C ATOM 829 NE ARG A 54 5.959 -7.381 -3.395 1.00 0.00 N ATOM 830 CZ ARG A 54 6.730 -8.427 -3.672 1.00 0.00 C ATOM 831 NH1 ARG A 54 6.260 -9.659 -3.531 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.975 -8.242 -4.094 1.00 0.00 N ATOM 0 H ARG A 54 0.674 -7.091 -4.809 1.00 0.00 H new ATOM 0 HA ARG A 54 2.378 -5.891 -2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.621 -6.953 -5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.942 -6.005 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.791 -8.444 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.139 -8.522 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.266 -6.549 -2.487 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.527 -8.246 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 54 6.351 -6.447 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.303 -9.806 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.855 -10.459 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.340 -7.296 -4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.566 -9.046 -4.306 1.00 0.00 H new ATOM 846 N ARG A 55 1.458 -4.043 -5.454 1.00 0.00 N ATOM 847 CA ARG A 55 1.423 -2.678 -5.966 1.00 0.00 C ATOM 848 C ARG A 55 0.666 -1.759 -5.012 1.00 0.00 C ATOM 849 O ARG A 55 1.126 -0.663 -4.697 1.00 0.00 O ATOM 850 CB ARG A 55 0.770 -2.646 -7.349 1.00 0.00 C ATOM 851 CG ARG A 55 0.556 -1.241 -7.889 1.00 0.00 C ATOM 852 CD ARG A 55 -0.451 -1.230 -9.028 1.00 0.00 C ATOM 853 NE ARG A 55 -0.897 0.122 -9.352 1.00 0.00 N ATOM 854 CZ ARG A 55 -1.571 0.430 -10.454 1.00 0.00 C ATOM 855 NH1 ARG A 55 -1.878 -0.514 -11.334 1.00 0.00 N ATOM 856 NH2 ARG A 55 -1.942 1.683 -10.678 1.00 0.00 N ATOM 0 H ARG A 55 0.910 -4.711 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 55 2.450 -2.321 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.392 -3.204 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.191 -3.158 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.207 -0.591 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.506 -0.835 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.004 -1.685 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.312 -1.840 -8.756 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.679 0.872 -8.695 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.596 -1.480 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.396 -0.274 -12.179 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.710 2.412 -10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.460 1.918 -11.525 1.00 0.00 H new ATOM 870 N GLU A 56 -0.498 -2.215 -4.559 1.00 0.00 N ATOM 871 CA GLU A 56 -1.319 -1.432 -3.643 1.00 0.00 C ATOM 872 C GLU A 56 -0.473 -0.854 -2.512 1.00 0.00 C ATOM 873 O GLU A 56 -0.345 0.363 -2.377 1.00 0.00 O ATOM 874 CB GLU A 56 -2.443 -2.295 -3.065 1.00 0.00 C ATOM 875 CG GLU A 56 -3.507 -2.670 -4.082 1.00 0.00 C ATOM 876 CD GLU A 56 -4.369 -1.490 -4.488 1.00 0.00 C ATOM 877 OE1 GLU A 56 -4.897 -0.803 -3.587 1.00 0.00 O ATOM 878 OE2 GLU A 56 -4.513 -1.252 -5.705 1.00 0.00 O ATOM 0 H GLU A 56 -0.893 -3.121 -4.811 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.757 -0.606 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.013 -3.206 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.913 -1.759 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.027 -3.086 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.142 -3.453 -3.666 1.00 0.00 H new ATOM 885 N ILE A 57 0.102 -1.737 -1.700 1.00 0.00 N ATOM 886 CA ILE A 57 0.935 -1.315 -0.582 1.00 0.00 C ATOM 887 C ILE A 57 2.086 -0.434 -1.055 1.00 0.00 C ATOM 888 O ILE A 57 2.285 0.670 -0.549 1.00 0.00 O ATOM 889 CB ILE A 57 1.508 -2.524 0.179 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.375 -3.411 0.702 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.395 -2.058 1.325 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.847 -4.752 1.216 1.00 0.00 C ATOM 0 H ILE A 57 0.005 -2.748 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 57 0.296 -0.742 0.090 1.00 0.00 H new ATOM 0 HB ILE A 57 2.116 -3.112 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.146 -2.887 1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.349 -3.571 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.792 -2.925 1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.219 -1.465 0.929 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.809 -1.450 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.008 -5.327 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.342 -5.296 0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.548 -4.601 2.037 1.00 0.00 H new ATOM 904 N ASP A 58 2.839 -0.928 -2.031 1.00 0.00 N ATOM 905 CA ASP A 58 3.970 -0.185 -2.577 1.00 0.00 C ATOM 906 C ASP A 58 3.669 1.311 -2.615 1.00 0.00 C ATOM 907 O ASP A 58 4.522 2.134 -2.286 1.00 0.00 O ATOM 908 CB ASP A 58 4.307 -0.685 -3.982 1.00 0.00 C ATOM 909 CG ASP A 58 5.249 0.247 -4.718 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.477 0.101 -4.552 1.00 0.00 O ATOM 911 OD2 ASP A 58 4.757 1.122 -5.459 1.00 0.00 O ATOM 0 H ASP A 58 2.687 -1.840 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 58 4.829 -0.349 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.759 -1.674 -3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.387 -0.794 -4.556 1.00 0.00 H new ATOM 916 N SER A 59 2.451 1.653 -3.020 1.00 0.00 N ATOM 917 CA SER A 59 2.038 3.050 -3.105 1.00 0.00 C ATOM 918 C SER A 59 1.873 3.654 -1.715 1.00 0.00 C ATOM 919 O SER A 59 2.466 4.687 -1.403 1.00 0.00 O ATOM 920 CB SER A 59 0.727 3.169 -3.884 1.00 0.00 C ATOM 921 OG SER A 59 0.605 4.448 -4.486 1.00 0.00 O ATOM 0 H SER A 59 1.732 0.983 -3.295 1.00 0.00 H new ATOM 0 HA SER A 59 2.817 3.602 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.685 2.397 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.115 2.997 -3.213 1.00 0.00 H new ATOM 0 HG SER A 59 -0.240 4.498 -4.979 1.00 0.00 H new ATOM 927 N TRP A 60 1.066 3.003 -0.886 1.00 0.00 N ATOM 928 CA TRP A 60 0.824 3.476 0.472 1.00 0.00 C ATOM 929 C TRP A 60 2.122 3.920 1.135 1.00 0.00 C ATOM 930 O TRP A 60 2.239 5.054 1.598 1.00 0.00 O ATOM 931 CB TRP A 60 0.160 2.378 1.306 1.00 0.00 C ATOM 932 CG TRP A 60 -0.366 2.868 2.621 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.653 3.224 2.906 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.381 3.054 3.827 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.752 3.622 4.218 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.517 3.526 4.805 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.720 2.866 4.178 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.116 3.813 6.108 1.00 0.00 C ATOM 939 CZ3 TRP A 60 2.117 3.154 5.470 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.202 3.622 6.422 1.00 0.00 C ATOM 0 H TRP A 60 0.568 2.147 -1.130 1.00 0.00 H new ATOM 0 HA TRP A 60 0.155 4.335 0.416 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.660 1.943 0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.882 1.581 1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.473 3.197 2.204 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.605 3.937 4.679 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.432 2.502 3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.820 4.173 6.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.151 3.016 5.751 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.544 3.836 7.424 1.00 0.00 H new ATOM 951 N PHE A 61 3.098 3.019 1.177 1.00 0.00 N ATOM 952 CA PHE A 61 4.390 3.318 1.784 1.00 0.00 C ATOM 953 C PHE A 61 5.088 4.454 1.045 1.00 0.00 C ATOM 954 O PHE A 61 5.480 5.454 1.647 1.00 0.00 O ATOM 955 CB PHE A 61 5.279 2.072 1.784 1.00 0.00 C ATOM 956 CG PHE A 61 4.930 1.088 2.862 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.667 0.520 2.919 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.866 0.729 3.820 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.344 -0.389 3.910 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.548 -0.178 4.812 1.00 0.00 C ATOM 961 CZ PHE A 61 4.285 -0.737 4.859 1.00 0.00 C ATOM 0 H PHE A 61 3.019 2.075 0.798 1.00 0.00 H new ATOM 0 HA PHE A 61 4.215 3.631 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.201 1.580 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.319 2.377 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.926 0.790 2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.854 1.163 3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.357 -0.826 3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.287 -0.450 5.551 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.035 -1.444 5.636 1.00 0.00 H new ATOM 971 N SER A 62 5.241 4.295 -0.267 1.00 0.00 N ATOM 972 CA SER A 62 5.896 5.304 -1.090 1.00 0.00 C ATOM 973 C SER A 62 5.490 6.709 -0.652 1.00 0.00 C ATOM 974 O SER A 62 6.340 7.560 -0.395 1.00 0.00 O ATOM 975 CB SER A 62 5.546 5.096 -2.564 1.00 0.00 C ATOM 976 OG SER A 62 6.357 4.090 -3.144 1.00 0.00 O ATOM 0 H SER A 62 4.919 3.476 -0.782 1.00 0.00 H new ATOM 0 HA SER A 62 6.973 5.199 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.496 4.819 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.677 6.032 -3.108 1.00 0.00 H new ATOM 0 HG SER A 62 5.946 3.213 -2.997 1.00 0.00 H new ATOM 982 N GLU A 63 4.184 6.942 -0.568 1.00 0.00 N ATOM 983 CA GLU A 63 3.664 8.242 -0.163 1.00 0.00 C ATOM 984 C GLU A 63 3.922 8.492 1.321 1.00 0.00 C ATOM 985 O GLU A 63 4.489 9.517 1.699 1.00 0.00 O ATOM 986 CB GLU A 63 2.164 8.331 -0.453 1.00 0.00 C ATOM 987 CG GLU A 63 1.842 8.863 -1.840 1.00 0.00 C ATOM 988 CD GLU A 63 1.809 7.770 -2.891 1.00 0.00 C ATOM 989 OE1 GLU A 63 2.845 7.101 -3.084 1.00 0.00 O ATOM 990 OE2 GLU A 63 0.745 7.584 -3.518 1.00 0.00 O ATOM 0 H GLU A 63 3.467 6.247 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 63 4.183 9.008 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.722 7.341 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.696 8.975 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.876 9.368 -1.816 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.585 9.609 -2.120 1.00 0.00 H new ATOM 997 N ARG A 64 3.500 7.548 2.156 1.00 0.00 N ATOM 998 CA ARG A 64 3.684 7.666 3.597 1.00 0.00 C ATOM 999 C ARG A 64 5.085 8.174 3.928 1.00 0.00 C ATOM 1000 O ARG A 64 5.265 8.974 4.845 1.00 0.00 O ATOM 1001 CB ARG A 64 3.445 6.316 4.275 1.00 0.00 C ATOM 1002 CG ARG A 64 3.356 6.402 5.790 1.00 0.00 C ATOM 1003 CD ARG A 64 2.059 7.058 6.236 1.00 0.00 C ATOM 1004 NE ARG A 64 1.867 6.969 7.681 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.745 7.326 8.297 1.00 0.00 C ATOM 1006 NH1 ARG A 64 -0.279 7.792 7.597 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.647 7.215 9.615 1.00 0.00 N ATOM 0 H ARG A 64 3.029 6.694 1.859 1.00 0.00 H new ATOM 0 HA ARG A 64 2.958 8.387 3.973 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.522 5.884 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.253 5.635 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.424 5.401 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.203 6.971 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.061 8.106 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.220 6.582 5.729 1.00 0.00 H new ATOM 0 HE ARG A 64 2.636 6.613 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.207 7.877 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.139 8.065 8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.433 6.855 10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.215 7.489 10.087 1.00 0.00 H new ATOM 1021 N ARG A 65 6.072 7.700 3.175 1.00 0.00 N ATOM 1022 CA ARG A 65 7.457 8.103 3.388 1.00 0.00 C ATOM 1023 C ARG A 65 7.610 9.616 3.252 1.00 0.00 C ATOM 1024 O ARG A 65 8.288 10.257 4.055 1.00 0.00 O ATOM 1025 CB ARG A 65 8.377 7.394 2.392 1.00 0.00 C ATOM 1026 CG ARG A 65 8.565 5.914 2.685 1.00 0.00 C ATOM 1027 CD ARG A 65 9.782 5.356 1.965 1.00 0.00 C ATOM 1028 NE ARG A 65 11.026 5.692 2.650 1.00 0.00 N ATOM 1029 CZ ARG A 65 11.756 6.766 2.366 1.00 0.00 C ATOM 1030 NH1 ARG A 65 11.367 7.603 1.415 1.00 0.00 N ATOM 1031 NH2 ARG A 65 12.876 7.005 3.035 1.00 0.00 N ATOM 0 H ARG A 65 5.938 7.036 2.412 1.00 0.00 H new ATOM 0 HA ARG A 65 7.741 7.816 4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.968 7.508 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.351 7.884 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.676 5.765 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.675 5.365 2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.692 4.272 1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.812 5.746 0.948 1.00 0.00 H new ATOM 0 HE ARG A 65 11.353 5.068 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.506 7.424 0.899 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.929 8.426 1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.178 6.364 3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.435 7.830 2.816 1.00 0.00 H new ATOM 1045 N LYS A 66 6.975 10.179 2.228 1.00 0.00 N ATOM 1046 CA LYS A 66 7.038 11.615 1.986 1.00 0.00 C ATOM 1047 C LYS A 66 6.585 12.395 3.215 1.00 0.00 C ATOM 1048 O LYS A 66 7.175 13.418 3.567 1.00 0.00 O ATOM 1049 CB LYS A 66 6.172 11.988 0.782 1.00 0.00 C ATOM 1050 CG LYS A 66 6.902 11.898 -0.547 1.00 0.00 C ATOM 1051 CD LYS A 66 7.197 10.457 -0.924 1.00 0.00 C ATOM 1052 CE LYS A 66 7.332 10.291 -2.430 1.00 0.00 C ATOM 1053 NZ LYS A 66 6.024 9.983 -3.072 1.00 0.00 N ATOM 0 H LYS A 66 6.411 9.662 1.553 1.00 0.00 H new ATOM 0 HA LYS A 66 8.075 11.878 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.302 11.331 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.800 13.004 0.914 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.299 12.363 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.835 12.458 -0.489 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.117 10.134 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.398 9.813 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.742 11.204 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.040 9.491 -2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.157 9.877 -4.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.644 9.098 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.356 10.758 -2.888 1.00 0.00 H new ATOM 1067 N LEU A 67 5.534 11.907 3.865 1.00 0.00 N ATOM 1068 CA LEU A 67 5.002 12.559 5.057 1.00 0.00 C ATOM 1069 C LEU A 67 6.056 12.627 6.157 1.00 0.00 C ATOM 1070 O LEU A 67 6.391 13.708 6.642 1.00 0.00 O ATOM 1071 CB LEU A 67 3.768 11.808 5.563 1.00 0.00 C ATOM 1072 CG LEU A 67 2.696 11.498 4.519 1.00 0.00 C ATOM 1073 CD1 LEU A 67 1.650 10.554 5.092 1.00 0.00 C ATOM 1074 CD2 LEU A 67 2.045 12.781 4.023 1.00 0.00 C ATOM 0 H LEU A 67 5.034 11.063 3.587 1.00 0.00 H new ATOM 0 HA LEU A 67 4.718 13.577 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.096 10.868 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.312 12.395 6.360 1.00 0.00 H new ATOM 0 HG LEU A 67 3.174 11.007 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.895 10.345 4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.128 9.622 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.177 11.018 5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.285 12.540 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.581 13.301 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.802 13.422 3.572 1.00 0.00 H new ATOM 1086 N ARG A 68 6.577 11.469 6.543 1.00 0.00 N ATOM 1087 CA ARG A 68 7.595 11.397 7.585 1.00 0.00 C ATOM 1088 C ARG A 68 8.749 12.350 7.284 1.00 0.00 C ATOM 1089 O ARG A 68 9.163 13.130 8.141 1.00 0.00 O ATOM 1090 CB ARG A 68 8.122 9.967 7.718 1.00 0.00 C ATOM 1091 CG ARG A 68 9.237 9.822 8.740 1.00 0.00 C ATOM 1092 CD ARG A 68 9.586 8.361 8.978 1.00 0.00 C ATOM 1093 NE ARG A 68 10.246 8.158 10.265 1.00 0.00 N ATOM 1094 CZ ARG A 68 11.484 8.561 10.527 1.00 0.00 C ATOM 1095 NH1 ARG A 68 12.193 9.186 9.596 1.00 0.00 N ATOM 1096 NH2 ARG A 68 12.016 8.342 11.722 1.00 0.00 N ATOM 0 H ARG A 68 6.312 10.566 6.150 1.00 0.00 H new ATOM 0 HA ARG A 68 7.135 11.695 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.298 9.310 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.485 9.631 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.121 10.357 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.933 10.283 9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.677 7.760 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.237 8.009 8.178 1.00 0.00 H new ATOM 0 HE ARG A 68 9.728 7.681 11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.787 9.358 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.144 9.494 9.800 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.474 7.863 12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.967 8.652 11.921 1.00 0.00 H new ATOM 1110 N ASP A 69 9.262 12.280 6.060 1.00 0.00 N ATOM 1111 CA ASP A 69 10.368 13.135 5.646 1.00 0.00 C ATOM 1112 C ASP A 69 10.017 14.608 5.835 1.00 0.00 C ATOM 1113 O ASP A 69 10.831 15.393 6.321 1.00 0.00 O ATOM 1114 CB ASP A 69 10.726 12.869 4.183 1.00 0.00 C ATOM 1115 CG ASP A 69 11.801 13.806 3.669 1.00 0.00 C ATOM 1116 OD1 ASP A 69 12.778 14.049 4.406 1.00 0.00 O ATOM 1117 OD2 ASP A 69 11.663 14.299 2.530 1.00 0.00 O ATOM 0 H ASP A 69 8.930 11.641 5.338 1.00 0.00 H new ATOM 0 HA ASP A 69 11.229 12.901 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.066 11.839 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.832 12.975 3.568 1.00 0.00 H new ATOM 1122 N SER A 70 8.799 14.976 5.448 1.00 0.00 N ATOM 1123 CA SER A 70 8.342 16.353 5.571 1.00 0.00 C ATOM 1124 C SER A 70 9.202 17.289 4.725 1.00 0.00 C ATOM 1125 O SER A 70 9.561 18.382 5.161 1.00 0.00 O ATOM 1126 CB SER A 70 8.375 16.796 7.035 1.00 0.00 C ATOM 1127 OG SER A 70 7.167 16.462 7.697 1.00 0.00 O ATOM 0 H SER A 70 8.112 14.338 5.047 1.00 0.00 H new ATOM 0 HA SER A 70 7.316 16.402 5.207 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.215 16.321 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.537 17.873 7.089 1.00 0.00 H new ATOM 0 HG SER A 70 6.871 15.573 7.409 1.00 0.00 H new ATOM 1133 N MET A 71 9.527 16.850 3.515 1.00 0.00 N ATOM 1134 CA MET A 71 10.342 17.647 2.606 1.00 0.00 C ATOM 1135 C MET A 71 9.793 19.065 2.483 1.00 0.00 C ATOM 1136 O MET A 71 10.473 20.035 2.816 1.00 0.00 O ATOM 1137 CB MET A 71 10.401 16.989 1.227 1.00 0.00 C ATOM 1138 CG MET A 71 11.360 17.674 0.267 1.00 0.00 C ATOM 1139 SD MET A 71 13.038 17.778 0.917 1.00 0.00 S ATOM 1140 CE MET A 71 13.819 16.412 0.063 1.00 0.00 C ATOM 0 H MET A 71 9.239 15.946 3.140 1.00 0.00 H new ATOM 0 HA MET A 71 11.350 17.701 3.017 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.699 15.947 1.343 1.00 0.00 H new ATOM 0 HB3 MET A 71 9.402 16.988 0.791 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.373 17.129 -0.677 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.996 18.678 0.051 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.865 16.347 0.362 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.309 15.483 0.320 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.758 16.573 -1.013 1.00 0.00 H new ATOM 1150 N GLU A 72 8.557 19.176 2.002 1.00 0.00 N ATOM 1151 CA GLU A 72 7.919 20.476 1.835 1.00 0.00 C ATOM 1152 C GLU A 72 7.875 21.235 3.158 1.00 0.00 C ATOM 1153 O GLU A 72 7.529 20.673 4.196 1.00 0.00 O ATOM 1154 CB GLU A 72 6.500 20.304 1.286 1.00 0.00 C ATOM 1155 CG GLU A 72 5.565 19.575 2.235 1.00 0.00 C ATOM 1156 CD GLU A 72 4.378 18.955 1.522 1.00 0.00 C ATOM 1157 OE1 GLU A 72 3.589 19.710 0.917 1.00 0.00 O ATOM 1158 OE2 GLU A 72 4.239 17.715 1.570 1.00 0.00 O ATOM 0 H GLU A 72 7.980 18.383 1.722 1.00 0.00 H new ATOM 0 HA GLU A 72 8.510 21.054 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.084 21.287 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.548 19.757 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.119 18.795 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.206 20.272 2.992 1.00 0.00 H new ATOM 1165 N GLN A 73 8.231 22.516 3.109 1.00 0.00 N ATOM 1166 CA GLN A 73 8.233 23.352 4.304 1.00 0.00 C ATOM 1167 C GLN A 73 6.820 23.530 4.847 1.00 0.00 C ATOM 1168 O GLN A 73 5.847 23.499 4.094 1.00 0.00 O ATOM 1169 CB GLN A 73 8.851 24.717 3.996 1.00 0.00 C ATOM 1170 CG GLN A 73 7.973 25.597 3.119 1.00 0.00 C ATOM 1171 CD GLN A 73 8.236 27.075 3.328 1.00 0.00 C ATOM 1172 OE1 GLN A 73 9.375 27.490 3.548 1.00 0.00 O ATOM 1173 NE2 GLN A 73 7.181 27.879 3.264 1.00 0.00 N ATOM 0 H GLN A 73 8.521 22.996 2.257 1.00 0.00 H new ATOM 0 HA GLN A 73 8.833 22.853 5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.051 25.236 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.812 24.569 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.144 25.346 2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.925 25.385 3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.255 27.492 3.079 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.296 28.883 3.399 1.00 0.00 H new ATOM 1182 N ALA A 74 6.714 23.718 6.157 1.00 0.00 N ATOM 1183 CA ALA A 74 5.419 23.904 6.801 1.00 0.00 C ATOM 1184 C ALA A 74 5.495 24.967 7.892 1.00 0.00 C ATOM 1185 O ALA A 74 6.583 25.391 8.285 1.00 0.00 O ATOM 1186 CB ALA A 74 4.922 22.587 7.379 1.00 0.00 C ATOM 0 H ALA A 74 7.510 23.746 6.795 1.00 0.00 H new ATOM 0 HA ALA A 74 4.712 24.246 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.954 22.741 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.819 21.854 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.636 22.221 8.116 1.00 0.00 H new ATOM 1192 N VAL A 75 4.334 25.394 8.378 1.00 0.00 N ATOM 1193 CA VAL A 75 4.270 26.408 9.425 1.00 0.00 C ATOM 1194 C VAL A 75 4.488 25.790 10.801 1.00 0.00 C ATOM 1195 O VAL A 75 3.915 24.747 11.123 1.00 0.00 O ATOM 1196 CB VAL A 75 2.916 27.142 9.412 1.00 0.00 C ATOM 1197 CG1 VAL A 75 2.852 28.165 10.536 1.00 0.00 C ATOM 1198 CG2 VAL A 75 2.685 27.807 8.063 1.00 0.00 C ATOM 0 H VAL A 75 3.425 25.054 8.064 1.00 0.00 H new ATOM 0 HA VAL A 75 5.065 27.125 9.222 1.00 0.00 H new ATOM 0 HB VAL A 75 2.124 26.410 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.888 28.673 10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.971 27.660 11.495 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.651 28.895 10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.724 28.321 8.071 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.480 28.527 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.685 27.050 7.279 1.00 0.00 H new ATOM 1208 N LEU A 76 5.316 26.441 11.611 1.00 0.00 N ATOM 1209 CA LEU A 76 5.609 25.955 12.955 1.00 0.00 C ATOM 1210 C LEU A 76 4.376 26.047 13.848 1.00 0.00 C ATOM 1211 O LEU A 76 3.626 27.022 13.791 1.00 0.00 O ATOM 1212 CB LEU A 76 6.757 26.759 13.570 1.00 0.00 C ATOM 1213 CG LEU A 76 7.229 26.306 14.952 1.00 0.00 C ATOM 1214 CD1 LEU A 76 8.168 25.117 14.832 1.00 0.00 C ATOM 1215 CD2 LEU A 76 7.909 27.454 15.685 1.00 0.00 C ATOM 0 H LEU A 76 5.796 27.306 11.361 1.00 0.00 H new ATOM 0 HA LEU A 76 5.904 24.908 12.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.606 26.722 12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.448 27.802 13.638 1.00 0.00 H new ATOM 0 HG LEU A 76 6.358 25.997 15.530 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.493 24.809 15.826 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.648 24.290 14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.037 25.398 14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.239 27.114 16.667 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.771 27.793 15.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.205 28.278 15.804 1.00 0.00 H new ATOM 1227 N ASP A 77 4.172 25.026 14.673 1.00 0.00 N ATOM 1228 CA ASP A 77 3.032 24.992 15.582 1.00 0.00 C ATOM 1229 C ASP A 77 3.490 25.071 17.034 1.00 0.00 C ATOM 1230 O ASP A 77 4.675 24.919 17.330 1.00 0.00 O ATOM 1231 CB ASP A 77 2.214 23.718 15.360 1.00 0.00 C ATOM 1232 CG ASP A 77 0.871 23.761 16.062 1.00 0.00 C ATOM 1233 OD1 ASP A 77 0.074 24.673 15.760 1.00 0.00 O ATOM 1234 OD2 ASP A 77 0.620 22.884 16.915 1.00 0.00 O ATOM 0 H ASP A 77 4.782 24.210 14.731 1.00 0.00 H new ATOM 0 HA ASP A 77 2.405 25.859 15.371 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.057 23.572 14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.781 22.859 15.719 1.00 0.00 H new ATOM 1239 N SER A 78 2.544 25.311 17.935 1.00 0.00 N ATOM 1240 CA SER A 78 2.852 25.415 19.358 1.00 0.00 C ATOM 1241 C SER A 78 3.356 24.083 19.903 1.00 0.00 C ATOM 1242 O SER A 78 3.151 23.033 19.295 1.00 0.00 O ATOM 1243 CB SER A 78 1.615 25.863 20.137 1.00 0.00 C ATOM 1244 OG SER A 78 1.845 25.812 21.533 1.00 0.00 O ATOM 0 H SER A 78 1.558 25.437 17.706 1.00 0.00 H new ATOM 0 HA SER A 78 3.639 26.159 19.481 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.347 26.879 19.846 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.769 25.224 19.881 1.00 0.00 H new ATOM 0 HG SER A 78 1.039 26.105 22.008 1.00 0.00 H new ATOM 1250 N MET A 79 4.016 24.134 21.055 1.00 0.00 N ATOM 1251 CA MET A 79 4.549 22.932 21.685 1.00 0.00 C ATOM 1252 C MET A 79 3.713 22.538 22.898 1.00 0.00 C ATOM 1253 O MET A 79 3.100 23.386 23.544 1.00 0.00 O ATOM 1254 CB MET A 79 6.004 23.150 22.103 1.00 0.00 C ATOM 1255 CG MET A 79 7.009 22.800 21.018 1.00 0.00 C ATOM 1256 SD MET A 79 8.650 22.450 21.678 1.00 0.00 S ATOM 1257 CE MET A 79 8.512 20.697 22.018 1.00 0.00 C ATOM 0 H MET A 79 4.195 24.995 21.571 1.00 0.00 H new ATOM 0 HA MET A 79 4.506 22.122 20.957 1.00 0.00 H new ATOM 0 HB2 MET A 79 6.139 24.193 22.388 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.213 22.548 22.988 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.652 21.932 20.464 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.075 23.626 20.309 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.452 20.332 22.432 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.709 20.528 22.735 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.291 20.163 21.094 1.00 0.00 H new ATOM 1267 N GLY A 80 3.692 21.243 23.201 1.00 0.00 N ATOM 1268 CA GLY A 80 2.926 20.759 24.336 1.00 0.00 C ATOM 1269 C GLY A 80 3.624 19.629 25.066 1.00 0.00 C ATOM 1270 O GLY A 80 4.432 19.866 25.964 1.00 0.00 O ATOM 0 H GLY A 80 4.191 20.521 22.681 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.750 21.582 25.029 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.950 20.417 23.993 1.00 0.00 H new ATOM 1274 N SER A 81 3.311 18.396 24.682 1.00 0.00 N ATOM 1275 CA SER A 81 3.911 17.224 25.310 1.00 0.00 C ATOM 1276 C SER A 81 4.619 16.355 24.275 1.00 0.00 C ATOM 1277 O SER A 81 4.286 16.384 23.092 1.00 0.00 O ATOM 1278 CB SER A 81 2.840 16.404 26.033 1.00 0.00 C ATOM 1279 OG SER A 81 3.424 15.353 26.784 1.00 0.00 O ATOM 0 H SER A 81 2.646 18.182 23.939 1.00 0.00 H new ATOM 0 HA SER A 81 4.648 17.568 26.035 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.266 17.053 26.695 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.141 15.991 25.306 1.00 0.00 H new ATOM 0 HG SER A 81 2.720 14.845 27.238 1.00 0.00 H new ATOM 1285 N GLY A 82 5.600 15.582 24.733 1.00 0.00 N ATOM 1286 CA GLY A 82 6.340 14.716 23.835 1.00 0.00 C ATOM 1287 C GLY A 82 7.131 13.654 24.574 1.00 0.00 C ATOM 1288 O GLY A 82 8.252 13.902 25.022 1.00 0.00 O ATOM 0 H GLY A 82 5.894 15.541 25.709 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.646 14.234 23.146 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.020 15.318 23.233 1.00 0.00 H new ATOM 1292 N LYS A 83 6.546 12.468 24.705 1.00 0.00 N ATOM 1293 CA LYS A 83 7.202 11.365 25.398 1.00 0.00 C ATOM 1294 C LYS A 83 7.153 10.091 24.558 1.00 0.00 C ATOM 1295 O LYS A 83 6.110 9.741 24.006 1.00 0.00 O ATOM 1296 CB LYS A 83 6.539 11.119 26.755 1.00 0.00 C ATOM 1297 CG LYS A 83 6.575 12.327 27.676 1.00 0.00 C ATOM 1298 CD LYS A 83 7.919 12.454 28.375 1.00 0.00 C ATOM 1299 CE LYS A 83 7.879 13.512 29.469 1.00 0.00 C ATOM 1300 NZ LYS A 83 7.309 12.975 30.736 1.00 0.00 N ATOM 0 H LYS A 83 5.620 12.246 24.341 1.00 0.00 H new ATOM 0 HA LYS A 83 8.246 11.637 25.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.502 10.825 26.595 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.036 10.282 27.247 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.376 13.231 27.100 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.783 12.242 28.420 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.199 11.493 28.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.687 12.712 27.646 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.887 13.884 29.653 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.283 14.360 29.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.298 13.725 31.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.338 12.643 30.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.892 12.182 31.070 1.00 0.00 H new ATOM 1314 N SER A 84 8.286 9.403 24.468 1.00 0.00 N ATOM 1315 CA SER A 84 8.372 8.170 23.696 1.00 0.00 C ATOM 1316 C SER A 84 8.518 6.961 24.614 1.00 0.00 C ATOM 1317 O SER A 84 9.477 6.859 25.378 1.00 0.00 O ATOM 1318 CB SER A 84 9.554 8.231 22.726 1.00 0.00 C ATOM 1319 OG SER A 84 10.780 8.351 23.425 1.00 0.00 O ATOM 0 H SER A 84 9.158 9.679 24.920 1.00 0.00 H new ATOM 0 HA SER A 84 7.448 8.064 23.128 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.570 7.332 22.109 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.432 9.078 22.051 1.00 0.00 H new ATOM 0 HG SER A 84 10.687 7.960 24.319 1.00 0.00 H new ATOM 1325 N GLY A 85 7.556 6.046 24.536 1.00 0.00 N ATOM 1326 CA GLY A 85 7.593 4.855 25.365 1.00 0.00 C ATOM 1327 C GLY A 85 8.990 4.278 25.486 1.00 0.00 C ATOM 1328 O GLY A 85 9.790 4.331 24.552 1.00 0.00 O ATOM 0 H GLY A 85 6.751 6.109 23.913 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.215 5.095 26.359 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.927 4.102 24.944 1.00 0.00 H new ATOM 1332 N PRO A 86 9.301 3.711 26.661 1.00 0.00 N ATOM 1333 CA PRO A 86 10.611 3.111 26.930 1.00 0.00 C ATOM 1334 C PRO A 86 10.832 1.826 26.140 1.00 0.00 C ATOM 1335 O PRO A 86 9.933 1.348 25.448 1.00 0.00 O ATOM 1336 CB PRO A 86 10.564 2.816 28.431 1.00 0.00 C ATOM 1337 CG PRO A 86 9.116 2.670 28.745 1.00 0.00 C ATOM 1338 CD PRO A 86 8.396 3.612 27.819 1.00 0.00 C ATOM 0 HA PRO A 86 11.429 3.769 26.637 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.115 1.907 28.673 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.014 3.624 29.007 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.785 1.643 28.592 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.915 2.918 29.787 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.418 3.225 27.533 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.230 4.584 28.284 1.00 0.00 H new ATOM 1346 N SER A 87 12.035 1.270 26.248 1.00 0.00 N ATOM 1347 CA SER A 87 12.375 0.041 25.541 1.00 0.00 C ATOM 1348 C SER A 87 13.299 -0.833 26.384 1.00 0.00 C ATOM 1349 O SER A 87 14.169 -0.330 27.096 1.00 0.00 O ATOM 1350 CB SER A 87 13.042 0.366 24.203 1.00 0.00 C ATOM 1351 OG SER A 87 14.198 1.164 24.390 1.00 0.00 O ATOM 0 H SER A 87 12.790 1.651 26.818 1.00 0.00 H new ATOM 0 HA SER A 87 11.453 -0.510 25.355 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.313 -0.559 23.694 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.336 0.889 23.558 1.00 0.00 H new ATOM 0 HG SER A 87 14.607 1.356 23.520 1.00 0.00 H new ATOM 1357 N SER A 88 13.104 -2.145 26.298 1.00 0.00 N ATOM 1358 CA SER A 88 13.917 -3.090 27.054 1.00 0.00 C ATOM 1359 C SER A 88 14.426 -4.211 26.155 1.00 0.00 C ATOM 1360 O SER A 88 13.879 -4.457 25.081 1.00 0.00 O ATOM 1361 CB SER A 88 13.107 -3.677 28.211 1.00 0.00 C ATOM 1362 OG SER A 88 13.956 -4.285 29.172 1.00 0.00 O ATOM 0 H SER A 88 12.390 -2.578 25.712 1.00 0.00 H new ATOM 0 HA SER A 88 14.776 -2.553 27.455 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.521 -2.890 28.685 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.400 -4.413 27.828 1.00 0.00 H new ATOM 0 HG SER A 88 13.414 -4.651 29.902 1.00 0.00 H new ATOM 1368 N GLY A 89 15.480 -4.889 26.603 1.00 0.00 N ATOM 1369 CA GLY A 89 16.047 -5.975 25.825 1.00 0.00 C ATOM 1370 C GLY A 89 15.914 -7.315 26.522 1.00 0.00 C ATOM 1371 O GLY A 89 15.397 -7.395 27.635 1.00 0.00 O ATOM 0 H GLY A 89 15.950 -4.705 27.489 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.551 -6.022 24.856 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.101 -5.770 25.634 1.00 0.00 H new TER 1375 GLY A 89