USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=24 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 Single : A 1 GLY N :NH3+ -116:sc= 0.0765 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.0729 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00225 K(o=-0.0022,f=-1.3) 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+ -166:sc= -0.192 (180deg=-0.367) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.9! X(o=-1.9!,f=-2.1) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 80:sc= -1.01 USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.192) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 87:sc= 0.543 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.197 USER MOD Single : A 40 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.064) USER MOD Single : A 50 THR OG1 : rot -70:sc= -1.03! 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 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 0.00708 (180deg=0) USER MOD Single : A 70 SER OG : rot -28:sc= 0.564 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=-0.5) USER MOD Single : A 78 SER OG : rot 21:sc= 1.14 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 87 SER OG : rot 15:sc= 0.783 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.444 -21.921 -28.893 1.00 0.00 N ATOM 2 CA GLY A 1 8.660 -20.701 -28.938 1.00 0.00 C ATOM 3 C GLY A 1 9.191 -19.635 -28.002 1.00 0.00 C ATOM 4 O GLY A 1 10.049 -19.908 -27.162 1.00 0.00 O ATOM 0 H1 GLY A 1 9.889 -22.082 -29.819 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.182 -21.833 -28.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.824 -22.724 -28.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.654 -20.315 -29.957 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.626 -20.927 -28.676 1.00 0.00 H new ATOM 8 N SER A 2 8.683 -18.414 -28.145 1.00 0.00 N ATOM 9 CA SER A 2 9.116 -17.302 -27.310 1.00 0.00 C ATOM 10 C SER A 2 7.971 -16.324 -27.069 1.00 0.00 C ATOM 11 O SER A 2 7.069 -16.190 -27.897 1.00 0.00 O ATOM 12 CB SER A 2 10.295 -16.575 -27.961 1.00 0.00 C ATOM 13 OG SER A 2 11.528 -17.166 -27.588 1.00 0.00 O ATOM 0 H SER A 2 7.970 -18.171 -28.833 1.00 0.00 H new ATOM 0 HA SER A 2 9.434 -17.706 -26.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.189 -16.602 -29.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.287 -15.526 -27.666 1.00 0.00 H new ATOM 0 HG SER A 2 11.386 -18.111 -27.373 1.00 0.00 H new ATOM 19 N SER A 3 8.013 -15.641 -25.930 1.00 0.00 N ATOM 20 CA SER A 3 6.977 -14.677 -25.577 1.00 0.00 C ATOM 21 C SER A 3 7.444 -13.767 -24.445 1.00 0.00 C ATOM 22 O SER A 3 8.540 -13.933 -23.913 1.00 0.00 O ATOM 23 CB SER A 3 5.694 -15.403 -25.170 1.00 0.00 C ATOM 24 OG SER A 3 5.871 -16.109 -23.954 1.00 0.00 O ATOM 0 H SER A 3 8.754 -15.737 -25.235 1.00 0.00 H new ATOM 0 HA SER A 3 6.774 -14.061 -26.453 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.884 -14.682 -25.061 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.400 -16.097 -25.957 1.00 0.00 H new ATOM 0 HG SER A 3 5.036 -16.563 -23.715 1.00 0.00 H new ATOM 30 N GLY A 4 6.600 -12.807 -24.079 1.00 0.00 N ATOM 31 CA GLY A 4 6.942 -11.885 -23.012 1.00 0.00 C ATOM 32 C GLY A 4 6.607 -10.448 -23.359 1.00 0.00 C ATOM 33 O GLY A 4 7.122 -9.901 -24.333 1.00 0.00 O ATOM 0 H GLY A 4 5.685 -12.651 -24.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.409 -12.170 -22.105 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.007 -11.964 -22.795 1.00 0.00 H new ATOM 37 N SER A 5 5.740 -9.835 -22.558 1.00 0.00 N ATOM 38 CA SER A 5 5.333 -8.454 -22.787 1.00 0.00 C ATOM 39 C SER A 5 5.354 -7.657 -21.486 1.00 0.00 C ATOM 40 O SER A 5 5.122 -8.204 -20.407 1.00 0.00 O ATOM 41 CB SER A 5 3.933 -8.409 -23.404 1.00 0.00 C ATOM 42 OG SER A 5 2.980 -9.012 -22.547 1.00 0.00 O ATOM 0 H SER A 5 5.307 -10.273 -21.745 1.00 0.00 H new ATOM 0 HA SER A 5 6.043 -8.002 -23.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.650 -7.374 -23.597 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.939 -8.923 -24.365 1.00 0.00 H new ATOM 0 HG SER A 5 2.093 -8.969 -22.962 1.00 0.00 H new ATOM 48 N SER A 6 5.632 -6.363 -21.596 1.00 0.00 N ATOM 49 CA SER A 6 5.688 -5.491 -20.429 1.00 0.00 C ATOM 50 C SER A 6 5.309 -4.061 -20.801 1.00 0.00 C ATOM 51 O SER A 6 5.520 -3.624 -21.931 1.00 0.00 O ATOM 52 CB SER A 6 7.089 -5.516 -19.814 1.00 0.00 C ATOM 53 OG SER A 6 7.036 -5.272 -18.419 1.00 0.00 O ATOM 0 H SER A 6 5.822 -5.894 -22.482 1.00 0.00 H new ATOM 0 HA SER A 6 4.971 -5.860 -19.696 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.554 -6.484 -20.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.715 -4.764 -20.295 1.00 0.00 H new ATOM 0 HG SER A 6 7.943 -5.295 -18.048 1.00 0.00 H new ATOM 59 N GLY A 7 4.748 -3.335 -19.839 1.00 0.00 N ATOM 60 CA GLY A 7 4.347 -1.961 -20.083 1.00 0.00 C ATOM 61 C GLY A 7 3.337 -1.462 -19.069 1.00 0.00 C ATOM 62 O GLY A 7 2.529 -2.236 -18.556 1.00 0.00 O ATOM 0 H GLY A 7 4.564 -3.674 -18.895 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.228 -1.319 -20.060 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.922 -1.882 -21.084 1.00 0.00 H new ATOM 66 N ALA A 8 3.382 -0.167 -18.779 1.00 0.00 N ATOM 67 CA ALA A 8 2.464 0.435 -17.820 1.00 0.00 C ATOM 68 C ALA A 8 1.713 1.607 -18.440 1.00 0.00 C ATOM 69 O ALA A 8 2.018 2.033 -19.555 1.00 0.00 O ATOM 70 CB ALA A 8 3.218 0.885 -16.577 1.00 0.00 C ATOM 0 H ALA A 8 4.045 0.487 -19.195 1.00 0.00 H new ATOM 0 HA ALA A 8 1.732 -0.320 -17.533 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.520 1.333 -15.870 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.702 0.025 -16.114 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.973 1.620 -16.856 1.00 0.00 H new ATOM 76 N TYR A 9 0.731 2.127 -17.712 1.00 0.00 N ATOM 77 CA TYR A 9 -0.066 3.250 -18.192 1.00 0.00 C ATOM 78 C TYR A 9 -0.291 4.271 -17.082 1.00 0.00 C ATOM 79 O TYR A 9 -0.458 3.929 -15.912 1.00 0.00 O ATOM 80 CB TYR A 9 -1.411 2.755 -18.728 1.00 0.00 C ATOM 81 CG TYR A 9 -1.324 2.136 -20.104 1.00 0.00 C ATOM 82 CD1 TYR A 9 -1.397 2.923 -21.248 1.00 0.00 C ATOM 83 CD2 TYR A 9 -1.169 0.765 -20.261 1.00 0.00 C ATOM 84 CE1 TYR A 9 -1.319 2.361 -22.506 1.00 0.00 C ATOM 85 CE2 TYR A 9 -1.089 0.194 -21.517 1.00 0.00 C ATOM 86 CZ TYR A 9 -1.165 0.996 -22.636 1.00 0.00 C ATOM 87 OH TYR A 9 -1.086 0.432 -23.889 1.00 0.00 O ATOM 0 H TYR A 9 0.468 1.789 -16.787 1.00 0.00 H new ATOM 0 HA TYR A 9 0.483 3.735 -19.000 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.821 2.021 -18.034 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.110 3.591 -18.758 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.517 3.992 -21.150 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -1.110 0.134 -19.386 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.378 2.987 -23.384 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.968 -0.874 -21.621 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.978 -0.538 -23.805 1.00 0.00 H new ATOM 97 N PRO A 10 -0.299 5.559 -17.457 1.00 0.00 N ATOM 98 CA PRO A 10 -0.505 6.658 -16.510 1.00 0.00 C ATOM 99 C PRO A 10 -1.933 6.705 -15.976 1.00 0.00 C ATOM 100 O PRO A 10 -2.772 5.886 -16.351 1.00 0.00 O ATOM 101 CB PRO A 10 -0.206 7.906 -17.344 1.00 0.00 C ATOM 102 CG PRO A 10 -0.478 7.496 -18.751 1.00 0.00 C ATOM 103 CD PRO A 10 -0.108 6.041 -18.836 1.00 0.00 C ATOM 0 HA PRO A 10 0.125 6.557 -15.627 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.839 8.742 -17.046 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.828 8.228 -17.218 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.527 7.648 -19.006 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.109 8.090 -19.451 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.744 5.505 -19.541 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.921 5.907 -19.170 1.00 0.00 H new ATOM 111 N ASP A 11 -2.201 7.666 -15.100 1.00 0.00 N ATOM 112 CA ASP A 11 -3.528 7.820 -14.516 1.00 0.00 C ATOM 113 C ASP A 11 -3.661 9.169 -13.818 1.00 0.00 C ATOM 114 O ASP A 11 -2.675 9.738 -13.349 1.00 0.00 O ATOM 115 CB ASP A 11 -3.806 6.689 -13.523 1.00 0.00 C ATOM 116 CG ASP A 11 -2.782 6.635 -12.406 1.00 0.00 C ATOM 117 OD1 ASP A 11 -2.837 7.502 -11.509 1.00 0.00 O ATOM 118 OD2 ASP A 11 -1.925 5.727 -12.429 1.00 0.00 O ATOM 0 H ASP A 11 -1.517 8.351 -14.778 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.260 7.774 -15.322 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.800 6.821 -13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.811 5.737 -14.053 1.00 0.00 H new ATOM 123 N PHE A 12 -4.887 9.677 -13.755 1.00 0.00 N ATOM 124 CA PHE A 12 -5.151 10.962 -13.116 1.00 0.00 C ATOM 125 C PHE A 12 -5.616 10.770 -11.676 1.00 0.00 C ATOM 126 O PHE A 12 -5.931 9.656 -11.259 1.00 0.00 O ATOM 127 CB PHE A 12 -6.207 11.741 -13.904 1.00 0.00 C ATOM 128 CG PHE A 12 -5.831 11.975 -15.340 1.00 0.00 C ATOM 129 CD1 PHE A 12 -4.767 12.802 -15.665 1.00 0.00 C ATOM 130 CD2 PHE A 12 -6.541 11.368 -16.362 1.00 0.00 C ATOM 131 CE1 PHE A 12 -4.421 13.020 -16.986 1.00 0.00 C ATOM 132 CE2 PHE A 12 -6.198 11.582 -17.685 1.00 0.00 C ATOM 133 CZ PHE A 12 -5.137 12.407 -17.996 1.00 0.00 C ATOM 0 H PHE A 12 -5.714 9.219 -14.138 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.221 11.531 -13.106 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.151 11.197 -13.868 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.375 12.703 -13.419 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.203 13.281 -14.879 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.372 10.720 -16.124 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.592 13.669 -17.228 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.760 11.104 -18.473 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.866 12.574 -19.028 1.00 0.00 H new ATOM 143 N ALA A 13 -5.654 11.863 -10.921 1.00 0.00 N ATOM 144 CA ALA A 13 -6.081 11.814 -9.528 1.00 0.00 C ATOM 145 C ALA A 13 -7.581 12.054 -9.405 1.00 0.00 C ATOM 146 O ALA A 13 -8.086 13.142 -9.687 1.00 0.00 O ATOM 147 CB ALA A 13 -5.312 12.836 -8.704 1.00 0.00 C ATOM 0 H ALA A 13 -5.394 12.793 -11.250 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.866 10.817 -9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.641 12.788 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.245 12.618 -8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.498 13.835 -9.098 1.00 0.00 H new ATOM 153 N PRO A 14 -8.314 11.017 -8.976 1.00 0.00 N ATOM 154 CA PRO A 14 -9.769 11.091 -8.807 1.00 0.00 C ATOM 155 C PRO A 14 -10.172 11.985 -7.638 1.00 0.00 C ATOM 156 O PRO A 14 -9.321 12.606 -7.000 1.00 0.00 O ATOM 157 CB PRO A 14 -10.168 9.639 -8.532 1.00 0.00 C ATOM 158 CG PRO A 14 -8.945 9.012 -7.957 1.00 0.00 C ATOM 159 CD PRO A 14 -7.779 9.690 -8.623 1.00 0.00 C ATOM 0 HA PRO A 14 -10.259 11.525 -9.679 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.005 9.584 -7.837 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.479 9.134 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.909 9.147 -6.876 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.932 7.938 -8.145 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.922 9.767 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.446 9.143 -9.505 1.00 0.00 H new ATOM 167 N GLN A 15 -11.470 12.044 -7.365 1.00 0.00 N ATOM 168 CA GLN A 15 -11.985 12.862 -6.273 1.00 0.00 C ATOM 169 C GLN A 15 -11.450 12.375 -4.930 1.00 0.00 C ATOM 170 O GLN A 15 -10.910 11.274 -4.826 1.00 0.00 O ATOM 171 CB GLN A 15 -13.514 12.837 -6.265 1.00 0.00 C ATOM 172 CG GLN A 15 -14.137 13.385 -7.539 1.00 0.00 C ATOM 173 CD GLN A 15 -15.620 13.663 -7.391 1.00 0.00 C ATOM 174 OE1 GLN A 15 -16.193 13.479 -6.317 1.00 0.00 O ATOM 175 NE2 GLN A 15 -16.250 14.111 -8.470 1.00 0.00 N ATOM 0 H GLN A 15 -12.185 11.535 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.647 13.886 -6.429 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.852 11.811 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.874 13.417 -5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.625 14.305 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.984 12.672 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.736 14.249 -9.340 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -17.248 14.317 -8.429 1.00 0.00 H new ATOM 184 N LYS A 16 -11.604 13.203 -3.903 1.00 0.00 N ATOM 185 CA LYS A 16 -11.138 12.859 -2.564 1.00 0.00 C ATOM 186 C LYS A 16 -11.956 11.711 -1.982 1.00 0.00 C ATOM 187 O LYS A 16 -13.151 11.856 -1.723 1.00 0.00 O ATOM 188 CB LYS A 16 -11.222 14.077 -1.643 1.00 0.00 C ATOM 189 CG LYS A 16 -12.586 14.745 -1.640 1.00 0.00 C ATOM 190 CD LYS A 16 -12.631 15.919 -0.675 1.00 0.00 C ATOM 191 CE LYS A 16 -13.862 16.781 -0.904 1.00 0.00 C ATOM 192 NZ LYS A 16 -14.259 17.518 0.329 1.00 0.00 N ATOM 0 H LYS A 16 -12.048 14.118 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.098 12.540 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.975 13.771 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.471 14.805 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.825 15.090 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.348 14.016 -1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.630 15.549 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.733 16.525 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.663 17.493 -1.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.689 16.153 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.102 18.094 0.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.473 16.838 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.479 18.137 0.630 1.00 0.00 H new ATOM 206 N PHE A 17 -11.306 10.571 -1.777 1.00 0.00 N ATOM 207 CA PHE A 17 -11.973 9.398 -1.225 1.00 0.00 C ATOM 208 C PHE A 17 -11.000 8.553 -0.406 1.00 0.00 C ATOM 209 O PHE A 17 -9.798 8.815 -0.385 1.00 0.00 O ATOM 210 CB PHE A 17 -12.579 8.554 -2.348 1.00 0.00 C ATOM 211 CG PHE A 17 -13.672 7.633 -1.883 1.00 0.00 C ATOM 212 CD1 PHE A 17 -14.748 8.124 -1.159 1.00 0.00 C ATOM 213 CD2 PHE A 17 -13.624 6.279 -2.170 1.00 0.00 C ATOM 214 CE1 PHE A 17 -15.755 7.282 -0.732 1.00 0.00 C ATOM 215 CE2 PHE A 17 -14.629 5.431 -1.745 1.00 0.00 C ATOM 216 CZ PHE A 17 -15.696 5.933 -1.024 1.00 0.00 C ATOM 0 H PHE A 17 -10.317 10.434 -1.985 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.771 9.741 -0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.976 9.217 -3.116 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.790 7.963 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -14.799 9.177 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.792 5.881 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.588 7.677 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.581 4.377 -1.976 1.00 0.00 H new ATOM 0 HZ PHE A 17 -16.482 5.272 -0.690 1.00 0.00 H new ATOM 226 N LYS A 18 -11.532 7.539 0.269 1.00 0.00 N ATOM 227 CA LYS A 18 -10.712 6.654 1.089 1.00 0.00 C ATOM 228 C LYS A 18 -10.511 5.307 0.402 1.00 0.00 C ATOM 229 O LYS A 18 -11.442 4.508 0.300 1.00 0.00 O ATOM 230 CB LYS A 18 -11.363 6.449 2.458 1.00 0.00 C ATOM 231 CG LYS A 18 -12.816 6.013 2.383 1.00 0.00 C ATOM 232 CD LYS A 18 -13.450 5.944 3.762 1.00 0.00 C ATOM 233 CE LYS A 18 -14.752 5.157 3.737 1.00 0.00 C ATOM 234 NZ LYS A 18 -15.912 6.017 3.369 1.00 0.00 N ATOM 0 H LYS A 18 -12.526 7.310 0.264 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.737 7.122 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.796 5.701 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.300 7.379 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.374 6.711 1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.879 5.036 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.755 5.478 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.640 6.953 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.667 4.337 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.926 4.711 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.780 5.445 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.009 6.785 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.758 6.422 2.424 1.00 0.00 H new ATOM 248 N GLU A 19 -9.291 5.062 -0.066 1.00 0.00 N ATOM 249 CA GLU A 19 -8.970 3.810 -0.741 1.00 0.00 C ATOM 250 C GLU A 19 -8.463 2.770 0.253 1.00 0.00 C ATOM 251 O GLU A 19 -8.004 1.695 -0.136 1.00 0.00 O ATOM 252 CB GLU A 19 -7.920 4.048 -1.829 1.00 0.00 C ATOM 253 CG GLU A 19 -8.424 4.892 -2.988 1.00 0.00 C ATOM 254 CD GLU A 19 -7.323 5.254 -3.966 1.00 0.00 C ATOM 255 OE1 GLU A 19 -6.436 6.049 -3.594 1.00 0.00 O ATOM 256 OE2 GLU A 19 -7.352 4.742 -5.105 1.00 0.00 O ATOM 0 H GLU A 19 -8.510 5.713 0.010 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.882 3.430 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.053 4.537 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.581 3.085 -2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.209 4.349 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.875 5.805 -2.599 1.00 0.00 H new ATOM 263 N LYS A 20 -8.547 3.097 1.538 1.00 0.00 N ATOM 264 CA LYS A 20 -8.098 2.193 2.590 1.00 0.00 C ATOM 265 C LYS A 20 -9.024 2.263 3.800 1.00 0.00 C ATOM 266 O LYS A 20 -9.658 3.289 4.051 1.00 0.00 O ATOM 267 CB LYS A 20 -6.667 2.536 3.009 1.00 0.00 C ATOM 268 CG LYS A 20 -5.693 2.609 1.846 1.00 0.00 C ATOM 269 CD LYS A 20 -5.050 1.261 1.572 1.00 0.00 C ATOM 270 CE LYS A 20 -4.291 1.262 0.254 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.516 0.005 0.057 1.00 0.00 N ATOM 0 H LYS A 20 -8.923 3.983 1.876 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.121 1.177 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.670 3.493 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.316 1.787 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.216 2.952 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.919 3.345 2.064 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.369 1.010 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.818 0.488 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.994 1.388 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.612 2.115 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.836 0.134 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.003 -0.227 0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.167 -0.771 -0.179 1.00 0.00 H new ATOM 285 N THR A 21 -9.098 1.166 4.547 1.00 0.00 N ATOM 286 CA THR A 21 -9.946 1.103 5.731 1.00 0.00 C ATOM 287 C THR A 21 -9.114 1.147 7.007 1.00 0.00 C ATOM 288 O THR A 21 -7.890 1.012 6.965 1.00 0.00 O ATOM 289 CB THR A 21 -10.809 -0.174 5.737 1.00 0.00 C ATOM 290 OG1 THR A 21 -11.663 -0.182 6.885 1.00 0.00 O ATOM 291 CG2 THR A 21 -9.933 -1.417 5.742 1.00 0.00 C ATOM 0 H THR A 21 -8.581 0.309 4.353 1.00 0.00 H new ATOM 0 HA THR A 21 -10.600 1.974 5.698 1.00 0.00 H new ATOM 0 HB THR A 21 -11.417 -0.180 4.833 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.209 -0.996 6.881 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.563 -2.306 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.304 -1.422 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.303 -1.415 6.632 1.00 0.00 H new ATOM 299 N GLN A 22 -9.783 1.335 8.139 1.00 0.00 N ATOM 300 CA GLN A 22 -9.103 1.396 9.427 1.00 0.00 C ATOM 301 C GLN A 22 -8.331 0.108 9.697 1.00 0.00 C ATOM 302 O GLN A 22 -7.156 0.143 10.063 1.00 0.00 O ATOM 303 CB GLN A 22 -10.113 1.641 10.550 1.00 0.00 C ATOM 304 CG GLN A 22 -11.234 0.614 10.597 1.00 0.00 C ATOM 305 CD GLN A 22 -12.474 1.136 11.294 1.00 0.00 C ATOM 306 OE1 GLN A 22 -13.174 2.007 10.772 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.757 0.606 12.477 1.00 0.00 N ATOM 0 H GLN A 22 -10.795 1.448 8.191 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.395 2.224 9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.589 1.638 11.506 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.546 2.634 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.491 0.316 9.581 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.882 -0.280 11.112 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.150 -0.113 12.872 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.581 0.917 12.991 1.00 0.00 H new ATOM 316 N GLY A 23 -8.997 -1.027 9.511 1.00 0.00 N ATOM 317 CA GLY A 23 -8.356 -2.309 9.738 1.00 0.00 C ATOM 318 C GLY A 23 -7.067 -2.461 8.954 1.00 0.00 C ATOM 319 O GLY A 23 -5.997 -2.634 9.537 1.00 0.00 O ATOM 0 H GLY A 23 -9.969 -1.082 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.146 -2.423 10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.043 -3.109 9.461 1.00 0.00 H new ATOM 323 N GLN A 24 -7.171 -2.398 7.631 1.00 0.00 N ATOM 324 CA GLN A 24 -6.004 -2.532 6.767 1.00 0.00 C ATOM 325 C GLN A 24 -4.923 -1.527 7.152 1.00 0.00 C ATOM 326 O GLN A 24 -3.817 -1.906 7.534 1.00 0.00 O ATOM 327 CB GLN A 24 -6.402 -2.335 5.304 1.00 0.00 C ATOM 328 CG GLN A 24 -7.428 -3.341 4.811 1.00 0.00 C ATOM 329 CD GLN A 24 -7.711 -3.209 3.327 1.00 0.00 C ATOM 330 OE1 GLN A 24 -7.412 -2.184 2.716 1.00 0.00 O ATOM 331 NE2 GLN A 24 -8.291 -4.250 2.740 1.00 0.00 N ATOM 0 H GLN A 24 -8.050 -2.255 7.134 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.602 -3.537 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.802 -1.329 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.510 -2.404 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.072 -4.350 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.356 -3.209 5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.521 -5.080 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.506 -4.219 1.743 1.00 0.00 H new ATOM 340 N VAL A 25 -5.251 -0.243 7.049 1.00 0.00 N ATOM 341 CA VAL A 25 -4.310 0.817 7.388 1.00 0.00 C ATOM 342 C VAL A 25 -3.678 0.576 8.754 1.00 0.00 C ATOM 343 O VAL A 25 -2.477 0.772 8.939 1.00 0.00 O ATOM 344 CB VAL A 25 -4.993 2.197 7.386 1.00 0.00 C ATOM 345 CG1 VAL A 25 -4.016 3.278 7.823 1.00 0.00 C ATOM 346 CG2 VAL A 25 -5.564 2.508 6.011 1.00 0.00 C ATOM 0 H VAL A 25 -6.163 0.088 6.733 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.532 0.805 6.624 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.817 2.175 8.100 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.517 4.246 7.815 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.661 3.061 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.169 3.302 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.043 3.487 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.760 2.511 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.299 1.749 5.742 1.00 0.00 H new ATOM 356 N LYS A 26 -4.496 0.147 9.710 1.00 0.00 N ATOM 357 CA LYS A 26 -4.019 -0.124 11.061 1.00 0.00 C ATOM 358 C LYS A 26 -2.927 -1.188 11.049 1.00 0.00 C ATOM 359 O LYS A 26 -1.970 -1.117 11.821 1.00 0.00 O ATOM 360 CB LYS A 26 -5.177 -0.577 11.952 1.00 0.00 C ATOM 361 CG LYS A 26 -4.775 -0.820 13.396 1.00 0.00 C ATOM 362 CD LYS A 26 -4.580 0.487 14.147 1.00 0.00 C ATOM 363 CE LYS A 26 -3.618 0.320 15.313 1.00 0.00 C ATOM 364 NZ LYS A 26 -3.926 1.261 16.426 1.00 0.00 N ATOM 0 H LYS A 26 -5.493 -0.020 9.574 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.599 0.798 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.962 0.178 11.925 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.602 -1.494 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.541 -1.416 13.893 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.852 -1.399 13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.199 1.247 13.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.542 0.844 14.515 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.667 -0.705 15.680 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.597 0.487 14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.248 1.116 17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.855 2.240 16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.891 1.085 16.772 1.00 0.00 H new ATOM 378 N ILE A 27 -3.075 -2.172 10.169 1.00 0.00 N ATOM 379 CA ILE A 27 -2.100 -3.249 10.056 1.00 0.00 C ATOM 380 C ILE A 27 -0.786 -2.742 9.472 1.00 0.00 C ATOM 381 O ILE A 27 0.295 -3.146 9.903 1.00 0.00 O ATOM 382 CB ILE A 27 -2.630 -4.398 9.177 1.00 0.00 C ATOM 383 CG1 ILE A 27 -3.910 -4.981 9.779 1.00 0.00 C ATOM 384 CG2 ILE A 27 -1.569 -5.479 9.024 1.00 0.00 C ATOM 385 CD1 ILE A 27 -4.739 -5.769 8.790 1.00 0.00 C ATOM 0 H ILE A 27 -3.861 -2.246 9.523 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.926 -3.624 11.064 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.864 -4.003 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.646 -5.628 10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.515 -4.169 10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.957 -6.284 8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.681 -5.054 8.556 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.308 -5.874 10.006 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.631 -6.152 9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.033 -5.121 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.151 -6.603 8.405 1.00 0.00 H new ATOM 397 N LEU A 28 -0.886 -1.854 8.489 1.00 0.00 N ATOM 398 CA LEU A 28 0.295 -1.288 7.846 1.00 0.00 C ATOM 399 C LEU A 28 0.965 -0.256 8.748 1.00 0.00 C ATOM 400 O LEU A 28 2.126 -0.408 9.127 1.00 0.00 O ATOM 401 CB LEU A 28 -0.085 -0.645 6.512 1.00 0.00 C ATOM 402 CG LEU A 28 -0.793 -1.555 5.506 1.00 0.00 C ATOM 403 CD1 LEU A 28 -1.282 -0.751 4.310 1.00 0.00 C ATOM 404 CD2 LEU A 28 0.133 -2.675 5.056 1.00 0.00 C ATOM 0 H LEU A 28 -1.773 -1.510 8.120 1.00 0.00 H new ATOM 0 HA LEU A 28 1.002 -2.098 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.730 0.210 6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.822 -0.258 6.047 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.659 -2.001 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.783 -1.415 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.981 0.014 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.433 -0.275 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.387 -3.312 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.018 -2.248 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.433 -3.269 5.920 1.00 0.00 H new ATOM 416 N GLU A 29 0.223 0.792 9.089 1.00 0.00 N ATOM 417 CA GLU A 29 0.745 1.849 9.949 1.00 0.00 C ATOM 418 C GLU A 29 1.670 1.274 11.018 1.00 0.00 C ATOM 419 O GLU A 29 2.681 1.881 11.373 1.00 0.00 O ATOM 420 CB GLU A 29 -0.403 2.613 10.611 1.00 0.00 C ATOM 421 CG GLU A 29 -0.902 3.793 9.791 1.00 0.00 C ATOM 422 CD GLU A 29 -2.208 4.357 10.314 1.00 0.00 C ATOM 423 OE1 GLU A 29 -2.957 3.606 10.974 1.00 0.00 O ATOM 424 OE2 GLU A 29 -2.480 5.549 10.065 1.00 0.00 O ATOM 0 H GLU A 29 -0.740 0.933 8.784 1.00 0.00 H new ATOM 0 HA GLU A 29 1.319 2.537 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.232 1.927 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.075 2.972 11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.145 4.578 9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.035 3.480 8.755 1.00 0.00 H new ATOM 431 N ASP A 30 1.315 0.100 11.529 1.00 0.00 N ATOM 432 CA ASP A 30 2.113 -0.558 12.556 1.00 0.00 C ATOM 433 C ASP A 30 3.487 -0.942 12.016 1.00 0.00 C ATOM 434 O ASP A 30 4.510 -0.442 12.483 1.00 0.00 O ATOM 435 CB ASP A 30 1.389 -1.802 13.075 1.00 0.00 C ATOM 436 CG ASP A 30 2.095 -2.432 14.260 1.00 0.00 C ATOM 437 OD1 ASP A 30 3.337 -2.555 14.213 1.00 0.00 O ATOM 438 OD2 ASP A 30 1.406 -2.801 15.234 1.00 0.00 O ATOM 0 H ASP A 30 0.480 -0.415 11.249 1.00 0.00 H new ATOM 0 HA ASP A 30 2.250 0.144 13.379 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.372 -1.534 13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.310 -2.534 12.272 1.00 0.00 H new ATOM 443 N SER A 31 3.501 -1.834 11.032 1.00 0.00 N ATOM 444 CA SER A 31 4.749 -2.289 10.431 1.00 0.00 C ATOM 445 C SER A 31 5.568 -1.108 9.919 1.00 0.00 C ATOM 446 O SER A 31 6.792 -1.084 10.049 1.00 0.00 O ATOM 447 CB SER A 31 4.463 -3.261 9.282 1.00 0.00 C ATOM 448 OG SER A 31 4.403 -4.597 9.749 1.00 0.00 O ATOM 0 H SER A 31 2.662 -2.256 10.634 1.00 0.00 H new ATOM 0 HA SER A 31 5.326 -2.804 11.199 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.520 -2.997 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.241 -3.172 8.524 1.00 0.00 H new ATOM 0 HG SER A 31 3.526 -4.763 10.153 1.00 0.00 H new ATOM 454 N PHE A 32 4.885 -0.129 9.337 1.00 0.00 N ATOM 455 CA PHE A 32 5.547 1.057 8.805 1.00 0.00 C ATOM 456 C PHE A 32 6.151 1.892 9.929 1.00 0.00 C ATOM 457 O PHE A 32 7.369 2.065 10.005 1.00 0.00 O ATOM 458 CB PHE A 32 4.558 1.901 8.000 1.00 0.00 C ATOM 459 CG PHE A 32 5.200 3.055 7.282 1.00 0.00 C ATOM 460 CD1 PHE A 32 5.382 4.271 7.923 1.00 0.00 C ATOM 461 CD2 PHE A 32 5.623 2.922 5.970 1.00 0.00 C ATOM 462 CE1 PHE A 32 5.970 5.334 7.265 1.00 0.00 C ATOM 463 CE2 PHE A 32 6.215 3.982 5.308 1.00 0.00 C ATOM 464 CZ PHE A 32 6.390 5.189 5.956 1.00 0.00 C ATOM 0 H PHE A 32 3.872 -0.133 9.221 1.00 0.00 H new ATOM 0 HA PHE A 32 6.352 0.730 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.057 1.263 7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.789 2.283 8.671 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.061 4.388 8.947 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.489 1.980 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.101 6.278 7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.540 3.866 4.285 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.854 6.017 5.441 1.00 0.00 H new ATOM 474 N LEU A 33 5.291 2.410 10.800 1.00 0.00 N ATOM 475 CA LEU A 33 5.739 3.229 11.923 1.00 0.00 C ATOM 476 C LEU A 33 7.088 2.746 12.444 1.00 0.00 C ATOM 477 O LEU A 33 7.973 3.549 12.745 1.00 0.00 O ATOM 478 CB LEU A 33 4.703 3.198 13.047 1.00 0.00 C ATOM 479 CG LEU A 33 3.452 4.052 12.830 1.00 0.00 C ATOM 480 CD1 LEU A 33 2.264 3.452 13.566 1.00 0.00 C ATOM 481 CD2 LEU A 33 3.697 5.483 13.285 1.00 0.00 C ATOM 0 H LEU A 33 4.281 2.278 10.751 1.00 0.00 H new ATOM 0 HA LEU A 33 5.853 4.254 11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.391 2.165 13.199 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.186 3.524 13.968 1.00 0.00 H new ATOM 0 HG LEU A 33 3.224 4.066 11.764 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.383 4.072 13.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.075 2.446 13.192 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.482 3.408 14.633 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.797 6.076 13.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.950 5.489 14.345 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.520 5.911 12.713 1.00 0.00 H new ATOM 493 N LYS A 34 7.240 1.431 12.550 1.00 0.00 N ATOM 494 CA LYS A 34 8.482 0.839 13.033 1.00 0.00 C ATOM 495 C LYS A 34 9.551 0.854 11.945 1.00 0.00 C ATOM 496 O LYS A 34 10.619 1.444 12.118 1.00 0.00 O ATOM 497 CB LYS A 34 8.238 -0.596 13.504 1.00 0.00 C ATOM 498 CG LYS A 34 7.541 -0.685 14.850 1.00 0.00 C ATOM 499 CD LYS A 34 6.037 -0.519 14.710 1.00 0.00 C ATOM 500 CE LYS A 34 5.377 -0.265 16.056 1.00 0.00 C ATOM 501 NZ LYS A 34 3.950 0.134 15.908 1.00 0.00 N ATOM 0 H LYS A 34 6.517 0.753 12.307 1.00 0.00 H new ATOM 0 HA LYS A 34 8.836 1.435 13.874 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.637 -1.117 12.758 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.194 -1.117 13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.760 -1.648 15.312 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.933 0.084 15.515 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.823 0.310 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.611 -1.415 14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.441 -1.165 16.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.920 0.518 16.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.676 0.746 16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.825 0.651 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.351 -0.716 15.903 1.00 0.00 H new ATOM 515 N SER A 35 9.258 0.205 10.824 1.00 0.00 N ATOM 516 CA SER A 35 10.194 0.141 9.709 1.00 0.00 C ATOM 517 C SER A 35 9.520 0.563 8.406 1.00 0.00 C ATOM 518 O SER A 35 8.706 -0.174 7.848 1.00 0.00 O ATOM 519 CB SER A 35 10.758 -1.274 9.568 1.00 0.00 C ATOM 520 OG SER A 35 12.072 -1.249 9.035 1.00 0.00 O ATOM 0 H SER A 35 8.378 -0.285 10.664 1.00 0.00 H new ATOM 0 HA SER A 35 11.011 0.832 9.915 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.766 -1.764 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.110 -1.864 8.920 1.00 0.00 H new ATOM 0 HG SER A 35 12.411 -2.165 8.956 1.00 0.00 H new ATOM 526 N SER A 36 9.861 1.757 7.930 1.00 0.00 N ATOM 527 CA SER A 36 9.286 2.280 6.696 1.00 0.00 C ATOM 528 C SER A 36 9.453 1.284 5.554 1.00 0.00 C ATOM 529 O SER A 36 8.515 1.027 4.798 1.00 0.00 O ATOM 530 CB SER A 36 9.944 3.611 6.328 1.00 0.00 C ATOM 531 OG SER A 36 11.355 3.533 6.443 1.00 0.00 O ATOM 0 H SER A 36 10.532 2.380 8.380 1.00 0.00 H new ATOM 0 HA SER A 36 8.221 2.442 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.674 3.884 5.308 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.566 4.399 6.979 1.00 0.00 H new ATOM 0 HG SER A 36 11.734 3.198 5.604 1.00 0.00 H new ATOM 537 N PHE A 37 10.653 0.726 5.433 1.00 0.00 N ATOM 538 CA PHE A 37 10.945 -0.242 4.382 1.00 0.00 C ATOM 539 C PHE A 37 10.848 -1.669 4.915 1.00 0.00 C ATOM 540 O PHE A 37 11.748 -2.169 5.588 1.00 0.00 O ATOM 541 CB PHE A 37 12.340 0.005 3.805 1.00 0.00 C ATOM 542 CG PHE A 37 12.471 1.324 3.097 1.00 0.00 C ATOM 543 CD1 PHE A 37 12.075 1.458 1.776 1.00 0.00 C ATOM 544 CD2 PHE A 37 12.989 2.429 3.754 1.00 0.00 C ATOM 545 CE1 PHE A 37 12.194 2.670 1.121 1.00 0.00 C ATOM 546 CE2 PHE A 37 13.109 3.643 3.105 1.00 0.00 C ATOM 547 CZ PHE A 37 12.712 3.763 1.787 1.00 0.00 C ATOM 0 H PHE A 37 11.440 0.928 6.050 1.00 0.00 H new ATOM 0 HA PHE A 37 10.205 -0.117 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 37 13.071 -0.039 4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 37 12.584 -0.798 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.669 0.606 1.252 1.00 0.00 H new ATOM 0 HD2 PHE A 37 13.302 2.340 4.784 1.00 0.00 H new ATOM 0 HE1 PHE A 37 11.883 2.761 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.513 4.498 3.628 1.00 0.00 H new ATOM 0 HZ PHE A 37 12.807 4.711 1.278 1.00 0.00 H new ATOM 557 N PRO A 38 9.729 -2.340 4.606 1.00 0.00 N ATOM 558 CA PRO A 38 9.487 -3.719 5.042 1.00 0.00 C ATOM 559 C PRO A 38 10.397 -4.718 4.339 1.00 0.00 C ATOM 560 O PRO A 38 11.251 -4.338 3.536 1.00 0.00 O ATOM 561 CB PRO A 38 8.026 -3.962 4.656 1.00 0.00 C ATOM 562 CG PRO A 38 7.770 -3.020 3.530 1.00 0.00 C ATOM 563 CD PRO A 38 8.614 -1.806 3.806 1.00 0.00 C ATOM 0 HA PRO A 38 9.689 -3.851 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.864 -4.996 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.357 -3.768 5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.037 -3.472 2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.714 -2.757 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.966 -1.344 2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.057 -1.045 4.352 1.00 0.00 H new ATOM 571 N THR A 39 10.212 -5.998 4.644 1.00 0.00 N ATOM 572 CA THR A 39 11.017 -7.054 4.041 1.00 0.00 C ATOM 573 C THR A 39 10.157 -7.989 3.199 1.00 0.00 C ATOM 574 O THR A 39 8.939 -7.829 3.127 1.00 0.00 O ATOM 575 CB THR A 39 11.755 -7.878 5.112 1.00 0.00 C ATOM 576 OG1 THR A 39 10.908 -8.927 5.594 1.00 0.00 O ATOM 577 CG2 THR A 39 12.186 -6.996 6.274 1.00 0.00 C ATOM 0 H THR A 39 9.511 -6.330 5.306 1.00 0.00 H new ATOM 0 HA THR A 39 11.751 -6.565 3.400 1.00 0.00 H new ATOM 0 HB THR A 39 12.645 -8.310 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.386 -9.447 6.274 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.705 -7.601 7.017 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.855 -6.216 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.308 -6.538 6.728 1.00 0.00 H new ATOM 585 N GLN A 40 10.798 -8.965 2.567 1.00 0.00 N ATOM 586 CA GLN A 40 10.090 -9.927 1.729 1.00 0.00 C ATOM 587 C GLN A 40 9.072 -10.714 2.546 1.00 0.00 C ATOM 588 O GLN A 40 8.018 -11.099 2.039 1.00 0.00 O ATOM 589 CB GLN A 40 11.082 -10.885 1.067 1.00 0.00 C ATOM 590 CG GLN A 40 11.928 -10.235 -0.015 1.00 0.00 C ATOM 591 CD GLN A 40 11.147 -9.970 -1.287 1.00 0.00 C ATOM 592 OE1 GLN A 40 11.189 -10.759 -2.231 1.00 0.00 O ATOM 593 NE2 GLN A 40 10.429 -8.854 -1.319 1.00 0.00 N ATOM 0 H GLN A 40 11.806 -9.112 2.618 1.00 0.00 H new ATOM 0 HA GLN A 40 9.558 -9.375 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.740 -11.298 1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.533 -11.721 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.332 -9.295 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.777 -10.879 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.423 -8.228 -0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.883 -8.622 -2.149 1.00 0.00 H new ATOM 602 N ALA A 41 9.392 -10.950 3.814 1.00 0.00 N ATOM 603 CA ALA A 41 8.504 -11.690 4.702 1.00 0.00 C ATOM 604 C ALA A 41 7.408 -10.788 5.257 1.00 0.00 C ATOM 605 O ALA A 41 6.224 -11.109 5.166 1.00 0.00 O ATOM 606 CB ALA A 41 9.298 -12.320 5.837 1.00 0.00 C ATOM 0 H ALA A 41 10.260 -10.639 4.250 1.00 0.00 H new ATOM 0 HA ALA A 41 8.028 -12.482 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.622 -12.869 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.041 -13.004 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.801 -11.539 6.407 1.00 0.00 H new ATOM 612 N GLU A 42 7.811 -9.659 5.833 1.00 0.00 N ATOM 613 CA GLU A 42 6.860 -8.712 6.405 1.00 0.00 C ATOM 614 C GLU A 42 5.694 -8.470 5.451 1.00 0.00 C ATOM 615 O GLU A 42 4.552 -8.828 5.744 1.00 0.00 O ATOM 616 CB GLU A 42 7.556 -7.388 6.723 1.00 0.00 C ATOM 617 CG GLU A 42 6.755 -6.487 7.648 1.00 0.00 C ATOM 618 CD GLU A 42 6.474 -7.130 8.992 1.00 0.00 C ATOM 619 OE1 GLU A 42 7.436 -7.343 9.759 1.00 0.00 O ATOM 620 OE2 GLU A 42 5.293 -7.421 9.276 1.00 0.00 O ATOM 0 H GLU A 42 8.788 -9.378 5.916 1.00 0.00 H new ATOM 0 HA GLU A 42 6.469 -9.140 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.523 -7.596 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.751 -6.857 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.299 -5.555 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.811 -6.229 7.169 1.00 0.00 H new ATOM 627 N LEU A 43 5.988 -7.858 4.310 1.00 0.00 N ATOM 628 CA LEU A 43 4.965 -7.566 3.311 1.00 0.00 C ATOM 629 C LEU A 43 4.040 -8.763 3.113 1.00 0.00 C ATOM 630 O LEU A 43 2.826 -8.656 3.284 1.00 0.00 O ATOM 631 CB LEU A 43 5.616 -7.185 1.980 1.00 0.00 C ATOM 632 CG LEU A 43 6.072 -5.731 1.847 1.00 0.00 C ATOM 633 CD1 LEU A 43 6.963 -5.562 0.627 1.00 0.00 C ATOM 634 CD2 LEU A 43 4.870 -4.802 1.767 1.00 0.00 C ATOM 0 H LEU A 43 6.927 -7.554 4.053 1.00 0.00 H new ATOM 0 HA LEU A 43 4.371 -6.726 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.479 -7.831 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.909 -7.398 1.179 1.00 0.00 H new ATOM 0 HG LEU A 43 6.651 -5.467 2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.278 -4.522 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.841 -6.200 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.410 -5.843 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.212 -3.771 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.265 -5.064 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.271 -4.904 2.672 1.00 0.00 H new ATOM 646 N ASP A 44 4.623 -9.902 2.756 1.00 0.00 N ATOM 647 CA ASP A 44 3.851 -11.121 2.539 1.00 0.00 C ATOM 648 C ASP A 44 2.743 -11.254 3.579 1.00 0.00 C ATOM 649 O ASP A 44 1.649 -11.730 3.276 1.00 0.00 O ATOM 650 CB ASP A 44 4.767 -12.345 2.590 1.00 0.00 C ATOM 651 CG ASP A 44 5.343 -12.694 1.233 1.00 0.00 C ATOM 652 OD1 ASP A 44 5.975 -11.814 0.612 1.00 0.00 O ATOM 653 OD2 ASP A 44 5.162 -13.848 0.792 1.00 0.00 O ATOM 0 H ASP A 44 5.627 -10.007 2.611 1.00 0.00 H new ATOM 0 HA ASP A 44 3.392 -11.062 1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.581 -12.157 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.208 -13.198 2.974 1.00 0.00 H new ATOM 658 N ARG A 45 3.034 -10.833 4.805 1.00 0.00 N ATOM 659 CA ARG A 45 2.063 -10.909 5.889 1.00 0.00 C ATOM 660 C ARG A 45 1.122 -9.708 5.861 1.00 0.00 C ATOM 661 O ARG A 45 -0.052 -9.817 6.216 1.00 0.00 O ATOM 662 CB ARG A 45 2.780 -10.976 7.240 1.00 0.00 C ATOM 663 CG ARG A 45 1.890 -11.447 8.379 1.00 0.00 C ATOM 664 CD ARG A 45 1.196 -10.280 9.063 1.00 0.00 C ATOM 665 NE ARG A 45 2.091 -9.565 9.969 1.00 0.00 N ATOM 666 CZ ARG A 45 2.437 -10.020 11.169 1.00 0.00 C ATOM 667 NH1 ARG A 45 1.968 -11.182 11.602 1.00 0.00 N ATOM 668 NH2 ARG A 45 3.256 -9.314 11.936 1.00 0.00 N ATOM 0 H ARG A 45 3.935 -10.436 5.072 1.00 0.00 H new ATOM 0 HA ARG A 45 1.473 -11.815 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.634 -11.648 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.174 -9.989 7.482 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.143 -12.142 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.489 -11.994 9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.818 -9.590 8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.334 -10.647 9.620 1.00 0.00 H new ATOM 0 HE ARG A 45 2.471 -8.669 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.340 -11.730 11.014 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.235 -11.528 12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.621 -8.421 11.605 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.521 -9.664 12.857 1.00 0.00 H new ATOM 682 N LEU A 46 1.645 -8.562 5.437 1.00 0.00 N ATOM 683 CA LEU A 46 0.853 -7.340 5.363 1.00 0.00 C ATOM 684 C LEU A 46 -0.228 -7.458 4.293 1.00 0.00 C ATOM 685 O LEU A 46 -1.389 -7.120 4.530 1.00 0.00 O ATOM 686 CB LEU A 46 1.754 -6.141 5.064 1.00 0.00 C ATOM 687 CG LEU A 46 2.918 -5.919 6.030 1.00 0.00 C ATOM 688 CD1 LEU A 46 3.733 -4.705 5.614 1.00 0.00 C ATOM 689 CD2 LEU A 46 2.405 -5.757 7.454 1.00 0.00 C ATOM 0 H LEU A 46 2.615 -8.454 5.139 1.00 0.00 H new ATOM 0 HA LEU A 46 0.370 -7.190 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.159 -6.258 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.138 -5.242 5.056 1.00 0.00 H new ATOM 0 HG LEU A 46 3.566 -6.795 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.557 -4.563 6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.131 -4.860 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.096 -3.820 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.247 -5.600 8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.735 -4.899 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.865 -6.656 7.751 1.00 0.00 H new ATOM 701 N ARG A 47 0.159 -7.941 3.118 1.00 0.00 N ATOM 702 CA ARG A 47 -0.778 -8.104 2.012 1.00 0.00 C ATOM 703 C ARG A 47 -1.950 -8.992 2.419 1.00 0.00 C ATOM 704 O ARG A 47 -3.094 -8.542 2.473 1.00 0.00 O ATOM 705 CB ARG A 47 -0.066 -8.702 0.797 1.00 0.00 C ATOM 706 CG ARG A 47 0.829 -7.715 0.066 1.00 0.00 C ATOM 707 CD ARG A 47 1.480 -8.350 -1.153 1.00 0.00 C ATOM 708 NE ARG A 47 2.452 -9.374 -0.784 1.00 0.00 N ATOM 709 CZ ARG A 47 2.808 -10.372 -1.585 1.00 0.00 C ATOM 710 NH1 ARG A 47 2.273 -10.481 -2.793 1.00 0.00 N ATOM 711 NH2 ARG A 47 3.701 -11.266 -1.176 1.00 0.00 N ATOM 0 H ARG A 47 1.115 -8.227 2.906 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.166 -7.120 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.534 -9.552 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.813 -9.085 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.242 -6.850 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.601 -7.351 0.744 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.710 -8.792 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.973 -7.578 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 47 2.882 -9.320 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.586 -9.797 -3.110 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.549 -11.249 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.114 -11.186 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.974 -12.032 -1.791 1.00 0.00 H new ATOM 725 N VAL A 48 -1.655 -10.258 2.701 1.00 0.00 N ATOM 726 CA VAL A 48 -2.684 -11.210 3.103 1.00 0.00 C ATOM 727 C VAL A 48 -3.538 -10.650 4.235 1.00 0.00 C ATOM 728 O VAL A 48 -4.766 -10.704 4.183 1.00 0.00 O ATOM 729 CB VAL A 48 -2.065 -12.547 3.554 1.00 0.00 C ATOM 730 CG1 VAL A 48 -0.899 -12.304 4.498 1.00 0.00 C ATOM 731 CG2 VAL A 48 -3.119 -13.426 4.211 1.00 0.00 C ATOM 0 H VAL A 48 -0.713 -10.647 2.658 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.313 -11.385 2.230 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.686 -13.068 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.475 -13.260 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.136 -11.715 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.249 -11.763 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.665 -14.366 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.529 -12.914 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.919 -13.628 3.499 1.00 0.00 H new ATOM 741 N GLU A 49 -2.879 -10.114 5.257 1.00 0.00 N ATOM 742 CA GLU A 49 -3.579 -9.544 6.403 1.00 0.00 C ATOM 743 C GLU A 49 -4.571 -8.475 5.957 1.00 0.00 C ATOM 744 O GLU A 49 -5.781 -8.614 6.147 1.00 0.00 O ATOM 745 CB GLU A 49 -2.580 -8.947 7.395 1.00 0.00 C ATOM 746 CG GLU A 49 -1.902 -9.983 8.277 1.00 0.00 C ATOM 747 CD GLU A 49 -2.855 -10.612 9.274 1.00 0.00 C ATOM 748 OE1 GLU A 49 -3.654 -9.868 9.881 1.00 0.00 O ATOM 749 OE2 GLU A 49 -2.801 -11.847 9.450 1.00 0.00 O ATOM 0 H GLU A 49 -1.862 -10.062 5.315 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.131 -10.345 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.817 -8.398 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.097 -8.226 8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.471 -10.763 7.650 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.077 -9.514 8.814 1.00 0.00 H new ATOM 756 N THR A 50 -4.052 -7.404 5.364 1.00 0.00 N ATOM 757 CA THR A 50 -4.890 -6.309 4.892 1.00 0.00 C ATOM 758 C THR A 50 -5.653 -6.703 3.632 1.00 0.00 C ATOM 759 O THR A 50 -6.485 -5.945 3.135 1.00 0.00 O ATOM 760 CB THR A 50 -4.055 -5.048 4.599 1.00 0.00 C ATOM 761 OG1 THR A 50 -3.186 -5.284 3.487 1.00 0.00 O ATOM 762 CG2 THR A 50 -3.235 -4.648 5.816 1.00 0.00 C ATOM 0 H THR A 50 -3.054 -7.272 5.199 1.00 0.00 H new ATOM 0 HA THR A 50 -5.600 -6.089 5.689 1.00 0.00 H new ATOM 0 HB THR A 50 -4.738 -4.234 4.358 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.485 -5.917 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.654 -3.755 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.903 -4.440 6.652 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.560 -5.461 6.083 1.00 0.00 H new ATOM 770 N LYS A 51 -5.366 -7.896 3.121 1.00 0.00 N ATOM 771 CA LYS A 51 -6.025 -8.394 1.920 1.00 0.00 C ATOM 772 C LYS A 51 -5.732 -7.492 0.725 1.00 0.00 C ATOM 773 O LYS A 51 -6.632 -7.152 -0.046 1.00 0.00 O ATOM 774 CB LYS A 51 -7.536 -8.485 2.144 1.00 0.00 C ATOM 775 CG LYS A 51 -7.925 -9.391 3.300 1.00 0.00 C ATOM 776 CD LYS A 51 -7.728 -10.857 2.951 1.00 0.00 C ATOM 777 CE LYS A 51 -8.558 -11.761 3.847 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.723 -13.121 3.266 1.00 0.00 N ATOM 0 H LYS A 51 -4.680 -8.536 3.521 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.634 -9.389 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.929 -7.485 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.009 -8.850 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.327 -9.141 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.968 -9.216 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.003 -11.024 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.674 -11.116 3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.082 -11.839 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.539 -11.313 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.295 -13.706 3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.201 -13.049 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.789 -13.560 3.138 1.00 0.00 H new ATOM 792 N LEU A 52 -4.469 -7.107 0.576 1.00 0.00 N ATOM 793 CA LEU A 52 -4.057 -6.245 -0.527 1.00 0.00 C ATOM 794 C LEU A 52 -2.929 -6.888 -1.327 1.00 0.00 C ATOM 795 O LEU A 52 -2.385 -7.919 -0.933 1.00 0.00 O ATOM 796 CB LEU A 52 -3.610 -4.883 0.004 1.00 0.00 C ATOM 797 CG LEU A 52 -4.651 -4.099 0.806 1.00 0.00 C ATOM 798 CD1 LEU A 52 -3.975 -3.059 1.686 1.00 0.00 C ATOM 799 CD2 LEU A 52 -5.657 -3.440 -0.126 1.00 0.00 C ATOM 0 H LEU A 52 -3.713 -7.378 1.205 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.913 -6.106 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.732 -5.031 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.296 -4.271 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.186 -4.797 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.731 -2.512 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.295 -3.555 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.413 -2.364 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.390 -2.887 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.138 -2.755 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.165 -4.205 -0.712 1.00 0.00 H new ATOM 811 N SER A 53 -2.583 -6.269 -2.451 1.00 0.00 N ATOM 812 CA SER A 53 -1.520 -6.782 -3.309 1.00 0.00 C ATOM 813 C SER A 53 -0.265 -5.923 -3.190 1.00 0.00 C ATOM 814 O SER A 53 -0.307 -4.812 -2.661 1.00 0.00 O ATOM 815 CB SER A 53 -1.987 -6.824 -4.766 1.00 0.00 C ATOM 816 OG SER A 53 -2.930 -7.862 -4.969 1.00 0.00 O ATOM 0 H SER A 53 -3.022 -5.413 -2.789 1.00 0.00 H new ATOM 0 HA SER A 53 -1.279 -7.794 -2.983 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.432 -5.866 -5.036 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.129 -6.974 -5.422 1.00 0.00 H new ATOM 0 HG SER A 53 -3.214 -7.867 -5.907 1.00 0.00 H new ATOM 822 N ARG A 54 0.852 -6.446 -3.687 1.00 0.00 N ATOM 823 CA ARG A 54 2.120 -5.728 -3.636 1.00 0.00 C ATOM 824 C ARG A 54 1.950 -4.289 -4.114 1.00 0.00 C ATOM 825 O ARG A 54 2.308 -3.344 -3.410 1.00 0.00 O ATOM 826 CB ARG A 54 3.168 -6.440 -4.493 1.00 0.00 C ATOM 827 CG ARG A 54 3.534 -7.825 -3.982 1.00 0.00 C ATOM 828 CD ARG A 54 4.651 -7.763 -2.954 1.00 0.00 C ATOM 829 NE ARG A 54 5.410 -9.009 -2.893 1.00 0.00 N ATOM 830 CZ ARG A 54 6.659 -9.089 -2.450 1.00 0.00 C ATOM 831 NH1 ARG A 54 7.288 -7.999 -2.029 1.00 0.00 N ATOM 832 NH2 ARG A 54 7.283 -10.261 -2.425 1.00 0.00 N ATOM 0 H ARG A 54 0.904 -7.364 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 54 2.458 -5.711 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.794 -6.526 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.069 -5.827 -4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.656 -8.294 -3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.842 -8.453 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.323 -6.941 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.229 -7.548 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 54 4.955 -9.866 -3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.812 -7.097 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.248 -8.063 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.803 -11.101 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.243 -10.321 -2.084 1.00 0.00 H new ATOM 846 N ARG A 55 1.402 -4.130 -5.314 1.00 0.00 N ATOM 847 CA ARG A 55 1.186 -2.807 -5.886 1.00 0.00 C ATOM 848 C ARG A 55 0.325 -1.949 -4.965 1.00 0.00 C ATOM 849 O ARG A 55 0.629 -0.781 -4.724 1.00 0.00 O ATOM 850 CB ARG A 55 0.522 -2.924 -7.260 1.00 0.00 C ATOM 851 CG ARG A 55 1.333 -3.729 -8.262 1.00 0.00 C ATOM 852 CD ARG A 55 2.485 -2.916 -8.830 1.00 0.00 C ATOM 853 NE ARG A 55 2.073 -2.112 -9.978 1.00 0.00 N ATOM 854 CZ ARG A 55 2.868 -1.237 -10.586 1.00 0.00 C ATOM 855 NH1 ARG A 55 4.109 -1.056 -10.158 1.00 0.00 N ATOM 856 NH2 ARG A 55 2.420 -0.544 -11.625 1.00 0.00 N ATOM 0 H ARG A 55 1.099 -4.901 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 55 2.157 -2.325 -5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.458 -3.387 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.356 -1.924 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.722 -4.625 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.685 -4.060 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.885 -2.263 -8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.290 -3.587 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 55 1.124 -2.228 -10.332 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.456 -1.589 -9.360 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.717 -0.384 -10.626 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.466 -0.683 -11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.030 0.127 -12.091 1.00 0.00 H new ATOM 870 N GLU A 56 -0.752 -2.537 -4.452 1.00 0.00 N ATOM 871 CA GLU A 56 -1.657 -1.827 -3.557 1.00 0.00 C ATOM 872 C GLU A 56 -0.886 -1.143 -2.432 1.00 0.00 C ATOM 873 O GLU A 56 -0.907 0.082 -2.307 1.00 0.00 O ATOM 874 CB GLU A 56 -2.690 -2.790 -2.969 1.00 0.00 C ATOM 875 CG GLU A 56 -3.669 -3.334 -3.996 1.00 0.00 C ATOM 876 CD GLU A 56 -4.356 -2.237 -4.785 1.00 0.00 C ATOM 877 OE1 GLU A 56 -3.797 -1.813 -5.819 1.00 0.00 O ATOM 878 OE2 GLU A 56 -5.450 -1.803 -4.370 1.00 0.00 O ATOM 0 H GLU A 56 -1.018 -3.503 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.173 -1.062 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.170 -3.624 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.247 -2.278 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.139 -3.994 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.422 -3.939 -3.490 1.00 0.00 H new ATOM 885 N ILE A 57 -0.206 -1.942 -1.618 1.00 0.00 N ATOM 886 CA ILE A 57 0.572 -1.414 -0.504 1.00 0.00 C ATOM 887 C ILE A 57 1.657 -0.462 -0.995 1.00 0.00 C ATOM 888 O ILE A 57 1.779 0.662 -0.507 1.00 0.00 O ATOM 889 CB ILE A 57 1.228 -2.546 0.310 1.00 0.00 C ATOM 890 CG1 ILE A 57 0.163 -3.512 0.830 1.00 0.00 C ATOM 891 CG2 ILE A 57 2.035 -1.967 1.463 1.00 0.00 C ATOM 892 CD1 ILE A 57 0.736 -4.771 1.443 1.00 0.00 C ATOM 0 H ILE A 57 -0.178 -2.958 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.122 -0.871 0.137 1.00 0.00 H new ATOM 0 HB ILE A 57 1.905 -3.099 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.447 -3.001 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.499 -3.786 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.493 -2.778 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.814 -1.314 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.377 -1.394 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.077 -5.409 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.323 -5.305 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.375 -4.507 2.286 1.00 0.00 H new ATOM 904 N ASP A 58 2.444 -0.918 -1.965 1.00 0.00 N ATOM 905 CA ASP A 58 3.517 -0.105 -2.525 1.00 0.00 C ATOM 906 C ASP A 58 3.114 1.364 -2.578 1.00 0.00 C ATOM 907 O ASP A 58 3.917 2.250 -2.282 1.00 0.00 O ATOM 908 CB ASP A 58 3.882 -0.599 -3.925 1.00 0.00 C ATOM 909 CG ASP A 58 5.152 0.039 -4.452 1.00 0.00 C ATOM 910 OD1 ASP A 58 6.247 -0.458 -4.116 1.00 0.00 O ATOM 911 OD2 ASP A 58 5.050 1.036 -5.197 1.00 0.00 O ATOM 0 H ASP A 58 2.358 -1.846 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 58 4.388 -0.200 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.005 -1.682 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.060 -0.384 -4.608 1.00 0.00 H new ATOM 916 N SER A 59 1.867 1.617 -2.961 1.00 0.00 N ATOM 917 CA SER A 59 1.358 2.981 -3.058 1.00 0.00 C ATOM 918 C SER A 59 1.354 3.658 -1.691 1.00 0.00 C ATOM 919 O SER A 59 1.919 4.739 -1.520 1.00 0.00 O ATOM 920 CB SER A 59 -0.055 2.980 -3.644 1.00 0.00 C ATOM 921 OG SER A 59 -0.435 4.281 -4.059 1.00 0.00 O ATOM 0 H SER A 59 1.190 0.896 -3.209 1.00 0.00 H new ATOM 0 HA SER A 59 2.017 3.542 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.100 2.297 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.761 2.611 -2.900 1.00 0.00 H new ATOM 0 HG SER A 59 -1.341 4.254 -4.431 1.00 0.00 H new ATOM 927 N TRP A 60 0.712 3.016 -0.722 1.00 0.00 N ATOM 928 CA TRP A 60 0.633 3.556 0.631 1.00 0.00 C ATOM 929 C TRP A 60 2.017 3.931 1.149 1.00 0.00 C ATOM 930 O TRP A 60 2.244 5.063 1.578 1.00 0.00 O ATOM 931 CB TRP A 60 -0.018 2.540 1.571 1.00 0.00 C ATOM 932 CG TRP A 60 -0.450 3.132 2.877 1.00 0.00 C ATOM 933 CD1 TRP A 60 -1.640 3.747 3.145 1.00 0.00 C ATOM 934 CD2 TRP A 60 0.304 3.165 4.095 1.00 0.00 C ATOM 935 NE1 TRP A 60 -1.671 4.162 4.456 1.00 0.00 N ATOM 936 CE2 TRP A 60 -0.490 3.815 5.059 1.00 0.00 C ATOM 937 CE3 TRP A 60 1.572 2.707 4.463 1.00 0.00 C ATOM 938 CZ2 TRP A 60 -0.055 4.020 6.366 1.00 0.00 C ATOM 939 CZ3 TRP A 60 2.002 2.910 5.761 1.00 0.00 C ATOM 940 CH2 TRP A 60 1.190 3.561 6.699 1.00 0.00 C ATOM 0 H TRP A 60 0.239 2.121 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 60 0.020 4.457 0.600 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -0.884 2.100 1.076 1.00 0.00 H new ATOM 0 HB3 TRP A 60 0.686 1.730 1.762 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -2.439 3.887 2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.446 4.649 4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 60 2.204 2.204 3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.678 4.523 7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.980 2.561 6.057 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.554 3.703 7.706 1.00 0.00 H new ATOM 951 N PHE A 61 2.940 2.976 1.103 1.00 0.00 N ATOM 952 CA PHE A 61 4.302 3.207 1.570 1.00 0.00 C ATOM 953 C PHE A 61 4.997 4.263 0.715 1.00 0.00 C ATOM 954 O PHE A 61 5.646 5.171 1.237 1.00 0.00 O ATOM 955 CB PHE A 61 5.102 1.903 1.540 1.00 0.00 C ATOM 956 CG PHE A 61 4.766 0.967 2.665 1.00 0.00 C ATOM 957 CD1 PHE A 61 3.481 0.470 2.808 1.00 0.00 C ATOM 958 CD2 PHE A 61 5.733 0.586 3.580 1.00 0.00 C ATOM 959 CE1 PHE A 61 3.166 -0.392 3.843 1.00 0.00 C ATOM 960 CE2 PHE A 61 5.425 -0.276 4.616 1.00 0.00 C ATOM 961 CZ PHE A 61 4.140 -0.764 4.748 1.00 0.00 C ATOM 0 H PHE A 61 2.770 2.035 0.747 1.00 0.00 H new ATOM 0 HA PHE A 61 4.252 3.570 2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.922 1.397 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.166 2.138 1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.716 0.759 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.739 0.967 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.160 -0.773 3.943 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.189 -0.568 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.897 -1.436 5.558 1.00 0.00 H new ATOM 971 N SER A 62 4.858 4.137 -0.601 1.00 0.00 N ATOM 972 CA SER A 62 5.475 5.078 -1.528 1.00 0.00 C ATOM 973 C SER A 62 5.309 6.512 -1.039 1.00 0.00 C ATOM 974 O SER A 62 6.251 7.303 -1.069 1.00 0.00 O ATOM 975 CB SER A 62 4.864 4.926 -2.922 1.00 0.00 C ATOM 976 OG SER A 62 5.402 5.881 -3.822 1.00 0.00 O ATOM 0 H SER A 62 4.324 3.393 -1.049 1.00 0.00 H new ATOM 0 HA SER A 62 6.540 4.854 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.053 3.921 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.782 5.046 -2.863 1.00 0.00 H new ATOM 0 HG SER A 62 4.997 5.762 -4.706 1.00 0.00 H new ATOM 982 N GLU A 63 4.101 6.841 -0.589 1.00 0.00 N ATOM 983 CA GLU A 63 3.809 8.181 -0.096 1.00 0.00 C ATOM 984 C GLU A 63 4.162 8.304 1.384 1.00 0.00 C ATOM 985 O GLU A 63 4.805 9.268 1.802 1.00 0.00 O ATOM 986 CB GLU A 63 2.331 8.517 -0.308 1.00 0.00 C ATOM 987 CG GLU A 63 2.048 9.207 -1.631 1.00 0.00 C ATOM 988 CD GLU A 63 2.106 10.719 -1.525 1.00 0.00 C ATOM 989 OE1 GLU A 63 1.236 11.298 -0.843 1.00 0.00 O ATOM 990 OE2 GLU A 63 3.022 11.321 -2.124 1.00 0.00 O ATOM 0 H GLU A 63 3.310 6.198 -0.556 1.00 0.00 H new ATOM 0 HA GLU A 63 4.419 8.888 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.747 7.598 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.992 9.158 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.771 8.871 -2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.062 8.909 -1.988 1.00 0.00 H new ATOM 997 N ARG A 64 3.737 7.322 2.172 1.00 0.00 N ATOM 998 CA ARG A 64 4.007 7.320 3.605 1.00 0.00 C ATOM 999 C ARG A 64 5.439 7.762 3.889 1.00 0.00 C ATOM 1000 O ARG A 64 5.703 8.452 4.874 1.00 0.00 O ATOM 1001 CB ARG A 64 3.767 5.926 4.188 1.00 0.00 C ATOM 1002 CG ARG A 64 3.390 5.940 5.661 1.00 0.00 C ATOM 1003 CD ARG A 64 2.083 6.680 5.895 1.00 0.00 C ATOM 1004 NE ARG A 64 1.588 6.498 7.258 1.00 0.00 N ATOM 1005 CZ ARG A 64 0.669 7.279 7.816 1.00 0.00 C ATOM 1006 NH1 ARG A 64 0.148 8.287 7.132 1.00 0.00 N ATOM 1007 NH2 ARG A 64 0.270 7.050 9.061 1.00 0.00 N ATOM 0 H ARG A 64 3.204 6.517 1.842 1.00 0.00 H new ATOM 0 HA ARG A 64 3.326 8.027 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.974 5.436 3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.668 5.326 4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.300 4.916 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.185 6.413 6.237 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.228 7.743 5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.334 6.326 5.187 1.00 0.00 H new ATOM 0 HE ARG A 64 1.969 5.730 7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.452 8.465 6.175 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.557 8.885 7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.669 6.274 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.435 7.650 9.489 1.00 0.00 H new ATOM 1021 N ARG A 65 6.360 7.359 3.020 1.00 0.00 N ATOM 1022 CA ARG A 65 7.766 7.712 3.179 1.00 0.00 C ATOM 1023 C ARG A 65 7.962 9.223 3.079 1.00 0.00 C ATOM 1024 O ARG A 65 8.771 9.803 3.804 1.00 0.00 O ATOM 1025 CB ARG A 65 8.614 7.006 2.119 1.00 0.00 C ATOM 1026 CG ARG A 65 8.968 5.572 2.478 1.00 0.00 C ATOM 1027 CD ARG A 65 10.282 5.496 3.239 1.00 0.00 C ATOM 1028 NE ARG A 65 11.380 6.109 2.496 1.00 0.00 N ATOM 1029 CZ ARG A 65 12.477 6.588 3.072 1.00 0.00 C ATOM 1030 NH1 ARG A 65 12.623 6.524 4.388 1.00 0.00 N ATOM 1031 NH2 ARG A 65 13.434 7.132 2.330 1.00 0.00 N ATOM 0 H ARG A 65 6.158 6.788 2.199 1.00 0.00 H new ATOM 0 HA ARG A 65 8.087 7.386 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.075 7.012 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.534 7.571 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.171 5.140 3.083 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.038 4.975 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.173 5.995 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.522 4.453 3.446 1.00 0.00 H new ATOM 0 HE ARG A 65 11.300 6.173 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.891 6.106 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.467 6.893 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.327 7.182 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.276 7.500 2.773 1.00 0.00 H new ATOM 1045 N LYS A 66 7.218 9.852 2.177 1.00 0.00 N ATOM 1046 CA LYS A 66 7.308 11.294 1.981 1.00 0.00 C ATOM 1047 C LYS A 66 6.916 12.041 3.253 1.00 0.00 C ATOM 1048 O LYS A 66 7.737 12.726 3.862 1.00 0.00 O ATOM 1049 CB LYS A 66 6.408 11.730 0.823 1.00 0.00 C ATOM 1050 CG LYS A 66 6.968 11.383 -0.546 1.00 0.00 C ATOM 1051 CD LYS A 66 5.870 11.303 -1.593 1.00 0.00 C ATOM 1052 CE LYS A 66 6.405 11.607 -2.984 1.00 0.00 C ATOM 1053 NZ LYS A 66 5.640 10.891 -4.041 1.00 0.00 N ATOM 0 H LYS A 66 6.545 9.386 1.569 1.00 0.00 H new ATOM 0 HA LYS A 66 8.343 11.539 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.431 11.260 0.936 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.252 12.807 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.700 12.134 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.493 10.429 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.427 10.307 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.077 12.008 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.357 12.681 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.455 11.321 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.722 11.408 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.024 9.932 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.639 10.832 -3.765 1.00 0.00 H new ATOM 1067 N LEU A 67 5.655 11.901 3.650 1.00 0.00 N ATOM 1068 CA LEU A 67 5.153 12.562 4.850 1.00 0.00 C ATOM 1069 C LEU A 67 5.953 12.139 6.078 1.00 0.00 C ATOM 1070 O LEU A 67 6.172 12.933 6.992 1.00 0.00 O ATOM 1071 CB LEU A 67 3.672 12.238 5.053 1.00 0.00 C ATOM 1072 CG LEU A 67 3.367 11.020 5.925 1.00 0.00 C ATOM 1073 CD1 LEU A 67 3.299 11.417 7.392 1.00 0.00 C ATOM 1074 CD2 LEU A 67 2.064 10.364 5.487 1.00 0.00 C ATOM 0 H LEU A 67 4.962 11.336 3.159 1.00 0.00 H new ATOM 0 HA LEU A 67 5.267 13.638 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.187 13.108 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.217 12.083 4.075 1.00 0.00 H new ATOM 0 HG LEU A 67 4.174 10.298 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.081 10.537 7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.255 11.841 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.512 12.158 7.532 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.862 9.499 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.247 11.080 5.580 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.149 10.044 4.449 1.00 0.00 H new ATOM 1086 N ARG A 68 6.386 10.882 6.091 1.00 0.00 N ATOM 1087 CA ARG A 68 7.161 10.354 7.207 1.00 0.00 C ATOM 1088 C ARG A 68 8.528 11.027 7.287 1.00 0.00 C ATOM 1089 O ARG A 68 8.963 11.447 8.359 1.00 0.00 O ATOM 1090 CB ARG A 68 7.334 8.841 7.064 1.00 0.00 C ATOM 1091 CG ARG A 68 8.172 8.216 8.168 1.00 0.00 C ATOM 1092 CD ARG A 68 9.646 8.180 7.797 1.00 0.00 C ATOM 1093 NE ARG A 68 10.492 7.859 8.944 1.00 0.00 N ATOM 1094 CZ ARG A 68 11.737 7.410 8.835 1.00 0.00 C ATOM 1095 NH1 ARG A 68 12.279 7.230 7.637 1.00 0.00 N ATOM 1096 NH2 ARG A 68 12.443 7.139 9.925 1.00 0.00 N ATOM 0 H ARG A 68 6.213 10.211 5.342 1.00 0.00 H new ATOM 0 HA ARG A 68 6.616 10.566 8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.351 8.371 7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.798 8.626 6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.042 8.783 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.820 7.203 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.804 7.441 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.941 9.147 7.389 1.00 0.00 H new ATOM 0 HE ARG A 68 10.105 7.987 9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.739 7.437 6.797 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.236 6.885 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.030 7.275 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.399 6.794 9.841 1.00 0.00 H new ATOM 1110 N ASP A 69 9.201 11.126 6.146 1.00 0.00 N ATOM 1111 CA ASP A 69 10.518 11.749 6.086 1.00 0.00 C ATOM 1112 C ASP A 69 10.434 13.233 6.426 1.00 0.00 C ATOM 1113 O ASP A 69 11.365 13.804 6.991 1.00 0.00 O ATOM 1114 CB ASP A 69 11.130 11.566 4.696 1.00 0.00 C ATOM 1115 CG ASP A 69 12.622 11.827 4.681 1.00 0.00 C ATOM 1116 OD1 ASP A 69 13.390 10.903 5.025 1.00 0.00 O ATOM 1117 OD2 ASP A 69 13.025 12.954 4.325 1.00 0.00 O ATOM 0 H ASP A 69 8.856 10.783 5.250 1.00 0.00 H new ATOM 0 HA ASP A 69 11.156 11.261 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.938 10.551 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.639 12.241 3.995 1.00 0.00 H new ATOM 1122 N SER A 70 9.310 13.851 6.078 1.00 0.00 N ATOM 1123 CA SER A 70 9.105 15.272 6.342 1.00 0.00 C ATOM 1124 C SER A 70 8.615 15.492 7.770 1.00 0.00 C ATOM 1125 O SER A 70 8.136 16.572 8.113 1.00 0.00 O ATOM 1126 CB SER A 70 8.099 15.857 5.349 1.00 0.00 C ATOM 1127 OG SER A 70 6.783 15.419 5.639 1.00 0.00 O ATOM 0 H SER A 70 8.527 13.391 5.613 1.00 0.00 H new ATOM 0 HA SER A 70 10.061 15.782 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.139 16.946 5.384 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.369 15.561 4.335 1.00 0.00 H new ATOM 0 HG SER A 70 6.819 14.546 6.083 1.00 0.00 H new ATOM 1133 N MET A 71 8.738 14.459 8.598 1.00 0.00 N ATOM 1134 CA MET A 71 8.309 14.541 9.990 1.00 0.00 C ATOM 1135 C MET A 71 9.156 15.546 10.762 1.00 0.00 C ATOM 1136 O MET A 71 10.107 16.113 10.224 1.00 0.00 O ATOM 1137 CB MET A 71 8.396 13.165 10.653 1.00 0.00 C ATOM 1138 CG MET A 71 7.183 12.286 10.393 1.00 0.00 C ATOM 1139 SD MET A 71 7.380 10.619 11.049 1.00 0.00 S ATOM 1140 CE MET A 71 6.633 10.801 12.667 1.00 0.00 C ATOM 0 H MET A 71 9.131 13.557 8.330 1.00 0.00 H new ATOM 0 HA MET A 71 7.273 14.880 10.006 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.289 12.653 10.293 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.515 13.296 11.728 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.303 12.747 10.841 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.003 12.231 9.319 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.678 9.850 13.198 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.173 11.559 13.234 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.592 11.105 12.555 1.00 0.00 H new ATOM 1150 N GLU A 72 8.805 15.761 12.027 1.00 0.00 N ATOM 1151 CA GLU A 72 9.534 16.700 12.873 1.00 0.00 C ATOM 1152 C GLU A 72 11.041 16.551 12.676 1.00 0.00 C ATOM 1153 O GLU A 72 11.778 17.537 12.688 1.00 0.00 O ATOM 1154 CB GLU A 72 9.176 16.481 14.343 1.00 0.00 C ATOM 1155 CG GLU A 72 9.473 15.075 14.839 1.00 0.00 C ATOM 1156 CD GLU A 72 9.584 15.000 16.348 1.00 0.00 C ATOM 1157 OE1 GLU A 72 10.199 15.909 16.946 1.00 0.00 O ATOM 1158 OE2 GLU A 72 9.056 14.032 16.934 1.00 0.00 O ATOM 0 H GLU A 72 8.021 15.298 12.488 1.00 0.00 H new ATOM 0 HA GLU A 72 9.245 17.711 12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.727 17.196 14.953 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.116 16.691 14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.685 14.401 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.404 14.725 14.392 1.00 0.00 H new ATOM 1165 N GLN A 73 11.488 15.312 12.497 1.00 0.00 N ATOM 1166 CA GLN A 73 12.906 15.035 12.300 1.00 0.00 C ATOM 1167 C GLN A 73 13.389 15.584 10.962 1.00 0.00 C ATOM 1168 O GLN A 73 13.109 15.013 9.909 1.00 0.00 O ATOM 1169 CB GLN A 73 13.167 13.529 12.372 1.00 0.00 C ATOM 1170 CG GLN A 73 12.967 12.941 13.759 1.00 0.00 C ATOM 1171 CD GLN A 73 13.334 11.472 13.829 1.00 0.00 C ATOM 1172 OE1 GLN A 73 14.310 11.035 13.218 1.00 0.00 O ATOM 1173 NE2 GLN A 73 12.553 10.701 14.574 1.00 0.00 N ATOM 0 H GLN A 73 10.890 14.486 12.484 1.00 0.00 H new ATOM 0 HA GLN A 73 13.461 15.532 13.096 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.504 13.020 11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 73 14.188 13.330 12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.571 13.497 14.476 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.926 13.066 14.056 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.754 11.105 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.751 9.704 14.658 1.00 0.00 H new ATOM 1182 N ALA A 74 14.113 16.696 11.012 1.00 0.00 N ATOM 1183 CA ALA A 74 14.635 17.323 9.803 1.00 0.00 C ATOM 1184 C ALA A 74 16.003 17.948 10.055 1.00 0.00 C ATOM 1185 O ALA A 74 16.349 18.271 11.191 1.00 0.00 O ATOM 1186 CB ALA A 74 13.661 18.371 9.289 1.00 0.00 C ATOM 0 H ALA A 74 14.352 17.182 11.876 1.00 0.00 H new ATOM 0 HA ALA A 74 14.752 16.549 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.064 18.831 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.706 17.899 9.060 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.514 19.136 10.051 1.00 0.00 H new ATOM 1192 N VAL A 75 16.779 18.113 8.989 1.00 0.00 N ATOM 1193 CA VAL A 75 18.110 18.699 9.095 1.00 0.00 C ATOM 1194 C VAL A 75 18.064 20.037 9.825 1.00 0.00 C ATOM 1195 O VAL A 75 16.991 20.599 10.047 1.00 0.00 O ATOM 1196 CB VAL A 75 18.743 18.906 7.706 1.00 0.00 C ATOM 1197 CG1 VAL A 75 18.931 17.573 7.000 1.00 0.00 C ATOM 1198 CG2 VAL A 75 17.893 19.848 6.868 1.00 0.00 C ATOM 0 H VAL A 75 16.509 17.849 8.041 1.00 0.00 H new ATOM 0 HA VAL A 75 18.721 17.999 9.664 1.00 0.00 H new ATOM 0 HB VAL A 75 19.725 19.361 7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 75 19.379 17.740 6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 75 19.585 16.935 7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 75 17.963 17.086 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 18.355 19.983 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 75 16.896 19.425 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 17.817 20.813 7.369 1.00 0.00 H new ATOM 1208 N LEU A 76 19.236 20.541 10.197 1.00 0.00 N ATOM 1209 CA LEU A 76 19.331 21.813 10.903 1.00 0.00 C ATOM 1210 C LEU A 76 19.256 22.985 9.929 1.00 0.00 C ATOM 1211 O LEU A 76 20.043 23.071 8.986 1.00 0.00 O ATOM 1212 CB LEU A 76 20.635 21.881 11.700 1.00 0.00 C ATOM 1213 CG LEU A 76 21.896 22.207 10.898 1.00 0.00 C ATOM 1214 CD1 LEU A 76 22.064 23.711 10.758 1.00 0.00 C ATOM 1215 CD2 LEU A 76 23.120 21.590 11.556 1.00 0.00 C ATOM 0 H LEU A 76 20.133 20.088 10.021 1.00 0.00 H new ATOM 0 HA LEU A 76 18.488 21.881 11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 76 20.521 22.633 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 76 20.783 20.923 12.198 1.00 0.00 H new ATOM 0 HG LEU A 76 21.791 21.780 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 76 22.966 23.925 10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 21.199 24.127 10.242 1.00 0.00 H new ATOM 0 HD13 LEU A 76 22.148 24.161 11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 76 24.008 21.832 10.972 1.00 0.00 H new ATOM 0 HD22 LEU A 76 23.230 21.987 12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 76 23.001 20.508 11.603 1.00 0.00 H new ATOM 1227 N ASP A 77 18.307 23.884 10.164 1.00 0.00 N ATOM 1228 CA ASP A 77 18.133 25.052 9.308 1.00 0.00 C ATOM 1229 C ASP A 77 17.414 26.171 10.056 1.00 0.00 C ATOM 1230 O ASP A 77 16.768 25.933 11.077 1.00 0.00 O ATOM 1231 CB ASP A 77 17.345 24.677 8.051 1.00 0.00 C ATOM 1232 CG ASP A 77 15.855 24.579 8.308 1.00 0.00 C ATOM 1233 OD1 ASP A 77 15.463 23.913 9.290 1.00 0.00 O ATOM 1234 OD2 ASP A 77 15.079 25.171 7.530 1.00 0.00 O ATOM 0 H ASP A 77 17.647 23.827 10.939 1.00 0.00 H new ATOM 0 HA ASP A 77 19.121 25.408 9.017 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.529 25.421 7.276 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.708 23.723 7.670 1.00 0.00 H new ATOM 1239 N SER A 78 17.535 27.391 9.542 1.00 0.00 N ATOM 1240 CA SER A 78 16.902 28.548 10.165 1.00 0.00 C ATOM 1241 C SER A 78 15.445 28.671 9.730 1.00 0.00 C ATOM 1242 O SER A 78 15.155 29.071 8.603 1.00 0.00 O ATOM 1243 CB SER A 78 17.664 29.826 9.807 1.00 0.00 C ATOM 1244 OG SER A 78 17.544 30.119 8.426 1.00 0.00 O ATOM 0 H SER A 78 18.065 27.604 8.697 1.00 0.00 H new ATOM 0 HA SER A 78 16.928 28.408 11.246 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.279 30.660 10.394 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.716 29.712 10.068 1.00 0.00 H new ATOM 0 HG SER A 78 16.757 29.663 8.062 1.00 0.00 H new ATOM 1250 N MET A 79 14.533 28.323 10.632 1.00 0.00 N ATOM 1251 CA MET A 79 13.106 28.394 10.341 1.00 0.00 C ATOM 1252 C MET A 79 12.377 29.214 11.402 1.00 0.00 C ATOM 1253 O MET A 79 12.727 29.174 12.581 1.00 0.00 O ATOM 1254 CB MET A 79 12.507 26.990 10.265 1.00 0.00 C ATOM 1255 CG MET A 79 11.116 26.952 9.654 1.00 0.00 C ATOM 1256 SD MET A 79 10.613 25.290 9.170 1.00 0.00 S ATOM 1257 CE MET A 79 8.963 25.603 8.548 1.00 0.00 C ATOM 0 H MET A 79 14.757 27.989 11.570 1.00 0.00 H new ATOM 0 HA MET A 79 12.981 28.885 9.376 1.00 0.00 H new ATOM 0 HB2 MET A 79 13.169 26.353 9.679 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.465 26.568 11.269 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.398 27.350 10.371 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.089 27.604 8.781 1.00 0.00 H new ATOM 0 HE1 MET A 79 8.518 24.667 8.209 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.350 26.030 9.342 1.00 0.00 H new ATOM 0 HE3 MET A 79 9.015 26.303 7.714 1.00 0.00 H new ATOM 1267 N GLY A 80 11.358 29.954 10.976 1.00 0.00 N ATOM 1268 CA GLY A 80 10.596 30.772 11.901 1.00 0.00 C ATOM 1269 C GLY A 80 9.538 29.977 12.641 1.00 0.00 C ATOM 1270 O GLY A 80 8.424 29.805 12.149 1.00 0.00 O ATOM 0 H GLY A 80 11.046 30.001 10.006 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.274 31.228 12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.119 31.585 11.354 1.00 0.00 H new ATOM 1274 N SER A 81 9.888 29.488 13.826 1.00 0.00 N ATOM 1275 CA SER A 81 8.963 28.702 14.633 1.00 0.00 C ATOM 1276 C SER A 81 8.297 29.570 15.696 1.00 0.00 C ATOM 1277 O SER A 81 8.660 30.730 15.884 1.00 0.00 O ATOM 1278 CB SER A 81 9.696 27.534 15.296 1.00 0.00 C ATOM 1279 OG SER A 81 10.820 27.989 16.031 1.00 0.00 O ATOM 0 H SER A 81 10.806 29.623 14.249 1.00 0.00 H new ATOM 0 HA SER A 81 8.189 28.308 13.974 1.00 0.00 H new ATOM 0 HB2 SER A 81 9.014 27.002 15.960 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.018 26.824 14.535 1.00 0.00 H new ATOM 0 HG SER A 81 11.271 27.224 16.447 1.00 0.00 H new ATOM 1285 N GLY A 82 7.318 28.997 16.391 1.00 0.00 N ATOM 1286 CA GLY A 82 6.616 29.732 17.427 1.00 0.00 C ATOM 1287 C GLY A 82 5.136 29.410 17.464 1.00 0.00 C ATOM 1288 O GLY A 82 4.298 30.308 17.546 1.00 0.00 O ATOM 0 H GLY A 82 6.999 28.038 16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.059 29.501 18.396 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.748 30.801 17.263 1.00 0.00 H new ATOM 1292 N LYS A 83 4.810 28.122 17.402 1.00 0.00 N ATOM 1293 CA LYS A 83 3.420 27.683 17.429 1.00 0.00 C ATOM 1294 C LYS A 83 2.869 27.706 18.850 1.00 0.00 C ATOM 1295 O LYS A 83 1.931 28.445 19.150 1.00 0.00 O ATOM 1296 CB LYS A 83 3.299 26.273 16.847 1.00 0.00 C ATOM 1297 CG LYS A 83 1.865 25.844 16.584 1.00 0.00 C ATOM 1298 CD LYS A 83 1.222 25.255 17.828 1.00 0.00 C ATOM 1299 CE LYS A 83 -0.221 24.850 17.570 1.00 0.00 C ATOM 1300 NZ LYS A 83 -0.325 23.451 17.075 1.00 0.00 N ATOM 0 H LYS A 83 5.490 27.365 17.333 1.00 0.00 H new ATOM 0 HA LYS A 83 2.835 28.373 16.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.861 26.225 15.914 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.761 25.564 17.534 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.284 26.702 16.244 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.846 25.108 15.780 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.792 24.386 18.157 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.257 25.984 18.637 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.797 24.953 18.490 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.663 25.527 16.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.324 23.214 16.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.203 23.358 16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.073 22.802 17.783 1.00 0.00 H new ATOM 1314 N SER A 84 3.459 26.896 19.722 1.00 0.00 N ATOM 1315 CA SER A 84 3.025 26.822 21.113 1.00 0.00 C ATOM 1316 C SER A 84 3.646 27.948 21.936 1.00 0.00 C ATOM 1317 O SER A 84 4.715 28.460 21.604 1.00 0.00 O ATOM 1318 CB SER A 84 3.400 25.469 21.716 1.00 0.00 C ATOM 1319 OG SER A 84 2.777 25.280 22.974 1.00 0.00 O ATOM 0 H SER A 84 4.239 26.281 19.491 1.00 0.00 H new ATOM 0 HA SER A 84 1.941 26.933 21.135 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.104 24.670 21.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.482 25.406 21.830 1.00 0.00 H new ATOM 0 HG SER A 84 3.032 24.406 23.337 1.00 0.00 H new ATOM 1325 N GLY A 85 2.966 28.329 23.013 1.00 0.00 N ATOM 1326 CA GLY A 85 3.465 29.391 23.868 1.00 0.00 C ATOM 1327 C GLY A 85 3.008 29.241 25.305 1.00 0.00 C ATOM 1328 O GLY A 85 2.812 28.133 25.805 1.00 0.00 O ATOM 0 H GLY A 85 2.079 27.922 23.309 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.554 29.398 23.835 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.128 30.353 23.481 1.00 0.00 H new ATOM 1332 N PRO A 86 2.832 30.378 25.996 1.00 0.00 N ATOM 1333 CA PRO A 86 2.394 30.395 27.395 1.00 0.00 C ATOM 1334 C PRO A 86 0.941 29.959 27.553 1.00 0.00 C ATOM 1335 O PRO A 86 0.165 29.996 26.599 1.00 0.00 O ATOM 1336 CB PRO A 86 2.559 31.862 27.801 1.00 0.00 C ATOM 1337 CG PRO A 86 2.454 32.621 26.523 1.00 0.00 C ATOM 1338 CD PRO A 86 3.046 31.733 25.463 1.00 0.00 C ATOM 0 HA PRO A 86 2.967 29.701 28.010 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.787 32.167 28.507 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.520 32.033 28.286 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.415 32.860 26.296 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.993 33.566 26.585 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.551 31.870 24.502 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.105 31.942 25.309 1.00 0.00 H new ATOM 1346 N SER A 87 0.580 29.546 28.764 1.00 0.00 N ATOM 1347 CA SER A 87 -0.779 29.100 29.045 1.00 0.00 C ATOM 1348 C SER A 87 -1.083 29.192 30.538 1.00 0.00 C ATOM 1349 O SER A 87 -0.221 29.559 31.337 1.00 0.00 O ATOM 1350 CB SER A 87 -0.977 27.662 28.562 1.00 0.00 C ATOM 1351 OG SER A 87 -1.030 27.602 27.147 1.00 0.00 O ATOM 0 H SER A 87 1.210 29.511 29.566 1.00 0.00 H new ATOM 0 HA SER A 87 -1.467 29.754 28.510 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.161 27.037 28.925 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.899 27.258 28.981 1.00 0.00 H new ATOM 0 HG SER A 87 -0.689 28.440 26.771 1.00 0.00 H new ATOM 1357 N SER A 88 -2.315 28.858 30.906 1.00 0.00 N ATOM 1358 CA SER A 88 -2.735 28.906 32.302 1.00 0.00 C ATOM 1359 C SER A 88 -3.820 27.870 32.579 1.00 0.00 C ATOM 1360 O SER A 88 -4.925 27.953 32.045 1.00 0.00 O ATOM 1361 CB SER A 88 -3.249 30.304 32.654 1.00 0.00 C ATOM 1362 OG SER A 88 -2.217 31.269 32.542 1.00 0.00 O ATOM 0 H SER A 88 -3.040 28.551 30.258 1.00 0.00 H new ATOM 0 HA SER A 88 -1.870 28.676 32.924 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.073 30.569 31.992 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.644 30.305 33.670 1.00 0.00 H new ATOM 0 HG SER A 88 -2.571 32.154 32.770 1.00 0.00 H new ATOM 1368 N GLY A 89 -3.495 26.892 33.419 1.00 0.00 N ATOM 1369 CA GLY A 89 -4.450 25.852 33.754 1.00 0.00 C ATOM 1370 C GLY A 89 -5.503 26.326 34.737 1.00 0.00 C ATOM 1371 O GLY A 89 -5.494 27.484 35.154 1.00 0.00 O ATOM 0 H GLY A 89 -2.587 26.801 33.874 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.938 25.504 32.843 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.920 24.999 34.178 1.00 0.00 H new TER 1375 GLY A 89