USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 577 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 7:sc= 0.366 USER MOD Single : A 20 THR OG1 : rot -3:sc= 1.12 USER MOD Single : A 22 HIS : no HD1:sc= -9.36! C(o=-9.4!,f=-21!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= -0.238 (180deg=-1.61!) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.01) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 91:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.755 7.965 0.775 1.00 0.00 N ATOM 14 CA ILE A 2 -6.297 7.988 1.081 1.00 0.00 C ATOM 15 C ILE A 2 -5.501 7.895 -0.222 1.00 0.00 C ATOM 16 O ILE A 2 -5.788 7.082 -1.079 1.00 0.00 O ATOM 17 CB ILE A 2 -5.945 6.803 1.980 1.00 0.00 C ATOM 18 CG1 ILE A 2 -6.473 5.512 1.350 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.585 6.997 3.356 1.00 0.00 C ATOM 20 CD1 ILE A 2 -5.303 4.577 1.041 1.00 0.00 C ATOM 0 HA ILE A 2 -6.048 8.918 1.593 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.862 6.739 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.173 5.024 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.022 5.739 0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.334 6.152 3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.210 7.917 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.668 7.061 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.680 3.658 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.620 5.066 0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.774 4.340 1.964 1.00 0.00 H new ATOM 32 N ASP A 3 -4.501 8.719 -0.380 1.00 0.00 N ATOM 33 CA ASP A 3 -3.689 8.675 -1.628 1.00 0.00 C ATOM 34 C ASP A 3 -2.673 7.534 -1.535 1.00 0.00 C ATOM 35 O ASP A 3 -1.999 7.369 -0.538 1.00 0.00 O ATOM 36 CB ASP A 3 -2.949 10.003 -1.801 1.00 0.00 C ATOM 37 CG ASP A 3 -2.429 10.114 -3.235 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.617 9.287 -3.615 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.852 11.024 -3.929 1.00 0.00 O ATOM 0 H ASP A 3 -4.212 9.421 0.302 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.345 8.510 -2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.617 10.835 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.120 10.064 -1.096 1.00 0.00 H new ATOM 44 N ILE A 4 -2.558 6.744 -2.567 1.00 0.00 N ATOM 45 CA ILE A 4 -1.587 5.615 -2.537 1.00 0.00 C ATOM 46 C ILE A 4 -0.286 6.044 -3.220 1.00 0.00 C ATOM 47 O ILE A 4 -0.222 6.183 -4.425 1.00 0.00 O ATOM 48 CB ILE A 4 -2.178 4.414 -3.277 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.620 4.191 -2.814 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.347 3.167 -2.973 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.173 2.920 -3.461 1.00 0.00 C ATOM 0 H ILE A 4 -3.095 6.832 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.382 5.340 -1.503 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.165 4.606 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.655 4.104 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.237 5.048 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.769 2.311 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.320 3.325 -3.301 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.360 2.974 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.200 2.761 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.152 3.025 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.562 2.067 -3.168 1.00 0.00 H new ATOM 63 N LYS A 5 0.753 6.254 -2.458 1.00 0.00 N ATOM 64 CA LYS A 5 2.048 6.674 -3.064 1.00 0.00 C ATOM 65 C LYS A 5 3.131 5.652 -2.711 1.00 0.00 C ATOM 66 O LYS A 5 2.910 4.743 -1.936 1.00 0.00 O ATOM 67 CB LYS A 5 2.445 8.047 -2.518 1.00 0.00 C ATOM 68 CG LYS A 5 1.277 9.021 -2.684 1.00 0.00 C ATOM 69 CD LYS A 5 1.742 10.439 -2.346 1.00 0.00 C ATOM 70 CE LYS A 5 0.745 11.088 -1.384 1.00 0.00 C ATOM 71 NZ LYS A 5 0.502 12.499 -1.799 1.00 0.00 N ATOM 0 H LYS A 5 0.761 6.153 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 5 1.941 6.731 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.718 7.966 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.322 8.421 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.902 8.984 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.453 8.732 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.733 10.410 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.824 11.033 -3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.192 10.531 -1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.133 11.059 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.176 12.941 -1.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.398 13.026 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.114 12.515 -2.764 1.00 0.00 H new ATOM 85 N ALA A 6 4.300 5.795 -3.272 1.00 0.00 N ATOM 86 CA ALA A 6 5.395 4.831 -2.967 1.00 0.00 C ATOM 87 C ALA A 6 5.969 5.133 -1.581 1.00 0.00 C ATOM 88 O ALA A 6 5.976 6.268 -1.148 1.00 0.00 O ATOM 89 CB ALA A 6 6.499 4.966 -4.018 1.00 0.00 C ATOM 0 H ALA A 6 4.544 6.537 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 6 5.001 3.815 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.301 4.262 -3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.090 4.751 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.894 5.982 -4.002 1.00 0.00 H new ATOM 95 N PRO A 7 6.435 4.101 -0.925 1.00 0.00 N ATOM 96 CA PRO A 7 7.023 4.214 0.422 1.00 0.00 C ATOM 97 C PRO A 7 8.452 4.758 0.336 1.00 0.00 C ATOM 98 O PRO A 7 9.236 4.344 -0.494 1.00 0.00 O ATOM 99 CB PRO A 7 7.016 2.773 0.938 1.00 0.00 C ATOM 100 CG PRO A 7 6.966 1.862 -0.311 1.00 0.00 C ATOM 101 CD PRO A 7 6.421 2.726 -1.465 1.00 0.00 C ATOM 0 HA PRO A 7 6.478 4.897 1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.907 2.569 1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.155 2.596 1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.958 1.477 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.323 0.999 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.044 2.641 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.414 2.420 -1.751 1.00 0.00 H new ATOM 109 N THR A 8 8.797 5.683 1.190 1.00 0.00 N ATOM 110 CA THR A 8 10.173 6.252 1.157 1.00 0.00 C ATOM 111 C THR A 8 11.196 5.123 1.309 1.00 0.00 C ATOM 112 O THR A 8 11.300 4.504 2.348 1.00 0.00 O ATOM 113 CB THR A 8 10.341 7.249 2.306 1.00 0.00 C ATOM 114 OG1 THR A 8 11.700 7.657 2.382 1.00 0.00 O ATOM 115 CG2 THR A 8 9.931 6.588 3.623 1.00 0.00 C ATOM 0 H THR A 8 8.185 6.069 1.909 1.00 0.00 H new ATOM 0 HA THR A 8 10.332 6.762 0.207 1.00 0.00 H new ATOM 0 HB THR A 8 9.709 8.119 2.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.809 8.297 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.051 7.299 4.440 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.888 6.276 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.561 5.717 3.805 1.00 0.00 H new ATOM 123 N PHE A 9 11.950 4.851 0.279 1.00 0.00 N ATOM 124 CA PHE A 9 12.963 3.762 0.365 1.00 0.00 C ATOM 125 C PHE A 9 14.062 4.165 1.354 1.00 0.00 C ATOM 126 O PHE A 9 14.261 5.335 1.613 1.00 0.00 O ATOM 127 CB PHE A 9 13.579 3.529 -1.015 1.00 0.00 C ATOM 128 CG PHE A 9 12.519 3.707 -2.077 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.582 2.690 -2.308 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.471 4.887 -2.829 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.599 2.854 -3.292 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.488 5.052 -3.812 1.00 0.00 C ATOM 133 CZ PHE A 9 10.551 4.036 -4.044 1.00 0.00 C ATOM 0 H PHE A 9 11.908 5.336 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 9 12.484 2.845 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.398 4.229 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.001 2.526 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.618 1.780 -1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.193 5.670 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.878 2.070 -3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.452 5.962 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.792 4.164 -4.802 1.00 0.00 H new ATOM 143 N PRO A 10 14.743 3.176 1.874 1.00 0.00 N ATOM 144 CA PRO A 10 15.835 3.387 2.841 1.00 0.00 C ATOM 145 C PRO A 10 17.109 3.835 2.119 1.00 0.00 C ATOM 146 O PRO A 10 17.066 4.325 1.009 1.00 0.00 O ATOM 147 CB PRO A 10 16.023 2.005 3.475 1.00 0.00 C ATOM 148 CG PRO A 10 15.450 0.981 2.466 1.00 0.00 C ATOM 149 CD PRO A 10 14.489 1.758 1.547 1.00 0.00 C ATOM 0 HA PRO A 10 15.615 4.162 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.077 1.808 3.672 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.503 1.942 4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.250 0.518 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.926 0.178 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.688 1.550 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.450 1.486 1.735 1.00 0.00 H new ATOM 157 N GLU A 11 18.243 3.673 2.744 1.00 0.00 N ATOM 158 CA GLU A 11 19.518 4.089 2.094 1.00 0.00 C ATOM 159 C GLU A 11 19.959 3.014 1.099 1.00 0.00 C ATOM 160 O GLU A 11 20.061 3.257 -0.087 1.00 0.00 O ATOM 161 CB GLU A 11 20.599 4.270 3.162 1.00 0.00 C ATOM 162 CG GLU A 11 21.781 5.038 2.566 1.00 0.00 C ATOM 163 CD GLU A 11 23.086 4.324 2.923 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.041 3.429 3.752 1.00 0.00 O ATOM 165 OE2 GLU A 11 24.108 4.682 2.361 1.00 0.00 O ATOM 0 H GLU A 11 18.342 3.271 3.676 1.00 0.00 H new ATOM 0 HA GLU A 11 19.366 5.031 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.194 4.811 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.930 3.298 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.676 5.106 1.483 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.796 6.058 2.949 1.00 0.00 H new ATOM 172 N SER A 12 20.223 1.827 1.573 1.00 0.00 N ATOM 173 CA SER A 12 20.659 0.736 0.660 1.00 0.00 C ATOM 174 C SER A 12 19.808 0.759 -0.612 1.00 0.00 C ATOM 175 O SER A 12 20.318 0.694 -1.713 1.00 0.00 O ATOM 176 CB SER A 12 20.491 -0.613 1.360 1.00 0.00 C ATOM 177 OG SER A 12 21.405 -1.549 0.803 1.00 0.00 O ATOM 0 H SER A 12 20.155 1.566 2.557 1.00 0.00 H new ATOM 0 HA SER A 12 21.707 0.882 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.670 -0.505 2.430 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.468 -0.972 1.242 1.00 0.00 H new ATOM 0 HG SER A 12 21.301 -2.414 1.251 1.00 0.00 H new ATOM 183 N ILE A 13 18.514 0.851 -0.470 1.00 0.00 N ATOM 184 CA ILE A 13 17.633 0.877 -1.671 1.00 0.00 C ATOM 185 C ILE A 13 17.231 2.322 -1.976 1.00 0.00 C ATOM 186 O ILE A 13 16.786 3.049 -1.111 1.00 0.00 O ATOM 187 CB ILE A 13 16.378 0.046 -1.401 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.786 -1.359 -0.953 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.544 -0.050 -2.681 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.546 -2.254 -0.889 1.00 0.00 C ATOM 0 H ILE A 13 18.029 0.909 0.426 1.00 0.00 H new ATOM 0 HA ILE A 13 18.168 0.460 -2.524 1.00 0.00 H new ATOM 0 HB ILE A 13 15.788 0.522 -0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.514 -1.777 -1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.267 -1.315 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.649 -0.642 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.255 0.950 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.133 -0.527 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.836 -3.255 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 13 14.834 -1.838 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.084 -2.307 -1.875 1.00 0.00 H new ATOM 202 N ALA A 14 17.385 2.743 -3.202 1.00 0.00 N ATOM 203 CA ALA A 14 17.013 4.141 -3.562 1.00 0.00 C ATOM 204 C ALA A 14 15.908 4.116 -4.621 1.00 0.00 C ATOM 205 O ALA A 14 15.784 5.021 -5.422 1.00 0.00 O ATOM 206 CB ALA A 14 18.238 4.868 -4.118 1.00 0.00 C ATOM 0 H ALA A 14 17.752 2.180 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 14 16.655 4.663 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.966 5.890 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.025 4.885 -3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.598 4.348 -5.006 1.00 0.00 H new ATOM 212 N ASP A 15 15.106 3.087 -4.631 1.00 0.00 N ATOM 213 CA ASP A 15 14.011 3.006 -5.639 1.00 0.00 C ATOM 214 C ASP A 15 13.281 1.670 -5.491 1.00 0.00 C ATOM 215 O ASP A 15 13.497 0.934 -4.549 1.00 0.00 O ATOM 216 CB ASP A 15 14.603 3.113 -7.045 1.00 0.00 C ATOM 217 CG ASP A 15 15.979 2.443 -7.072 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.042 1.254 -6.809 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.945 3.132 -7.356 1.00 0.00 O ATOM 0 H ASP A 15 15.161 2.299 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 15 13.308 3.823 -5.479 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.940 2.636 -7.767 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.691 4.160 -7.335 1.00 0.00 H new ATOM 224 N GLY A 16 12.418 1.350 -6.416 1.00 0.00 N ATOM 225 CA GLY A 16 11.675 0.060 -6.328 1.00 0.00 C ATOM 226 C GLY A 16 11.031 -0.253 -7.678 1.00 0.00 C ATOM 227 O GLY A 16 11.253 0.431 -8.658 1.00 0.00 O ATOM 0 H GLY A 16 12.195 1.925 -7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.354 -0.744 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.910 0.121 -5.554 1.00 0.00 H new ATOM 231 N THR A 17 10.233 -1.285 -7.741 1.00 0.00 N ATOM 232 CA THR A 17 9.574 -1.641 -9.029 1.00 0.00 C ATOM 233 C THR A 17 8.226 -2.306 -8.744 1.00 0.00 C ATOM 234 O THR A 17 8.149 -3.307 -8.060 1.00 0.00 O ATOM 235 CB THR A 17 10.468 -2.612 -9.806 1.00 0.00 C ATOM 236 OG1 THR A 17 11.602 -1.913 -10.302 1.00 0.00 O ATOM 237 CG2 THR A 17 9.683 -3.207 -10.975 1.00 0.00 C ATOM 0 H THR A 17 10.010 -1.896 -6.956 1.00 0.00 H new ATOM 0 HA THR A 17 9.416 -0.739 -9.620 1.00 0.00 H new ATOM 0 HB THR A 17 10.794 -3.415 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.610 -1.003 -9.939 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.320 -3.898 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.813 -3.742 -10.594 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.355 -2.406 -11.638 1.00 0.00 H new ATOM 245 N VAL A 18 7.162 -1.759 -9.266 1.00 0.00 N ATOM 246 CA VAL A 18 5.820 -2.360 -9.024 1.00 0.00 C ATOM 247 C VAL A 18 5.906 -3.879 -9.188 1.00 0.00 C ATOM 248 O VAL A 18 6.785 -4.393 -9.850 1.00 0.00 O ATOM 249 CB VAL A 18 4.820 -1.794 -10.034 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.426 -2.350 -9.736 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.794 -0.268 -9.923 1.00 0.00 C ATOM 0 H VAL A 18 7.164 -0.922 -9.849 1.00 0.00 H new ATOM 0 HA VAL A 18 5.490 -2.121 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 18 5.118 -2.081 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.712 -1.947 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.444 -3.437 -9.812 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.127 -2.062 -8.728 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.082 0.137 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.494 0.018 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.787 0.129 -10.133 1.00 0.00 H new ATOM 261 N ALA A 19 4.999 -4.602 -8.588 1.00 0.00 N ATOM 262 CA ALA A 19 5.031 -6.086 -8.709 1.00 0.00 C ATOM 263 C ALA A 19 3.911 -6.546 -9.646 1.00 0.00 C ATOM 264 O ALA A 19 4.148 -6.916 -10.779 1.00 0.00 O ATOM 265 CB ALA A 19 4.831 -6.715 -7.329 1.00 0.00 C ATOM 0 H ALA A 19 4.238 -4.229 -8.020 1.00 0.00 H new ATOM 0 HA ALA A 19 5.994 -6.396 -9.114 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.854 -7.801 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.628 -6.388 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.868 -6.405 -6.924 1.00 0.00 H new ATOM 271 N THR A 20 2.691 -6.526 -9.181 1.00 0.00 N ATOM 272 CA THR A 20 1.558 -6.963 -10.046 1.00 0.00 C ATOM 273 C THR A 20 0.252 -6.373 -9.510 1.00 0.00 C ATOM 274 O THR A 20 -0.011 -6.398 -8.324 1.00 0.00 O ATOM 275 CB THR A 20 1.471 -8.491 -10.039 1.00 0.00 C ATOM 276 OG1 THR A 20 2.557 -9.029 -10.779 1.00 0.00 O ATOM 277 CG2 THR A 20 0.150 -8.931 -10.673 1.00 0.00 C ATOM 0 H THR A 20 2.430 -6.227 -8.241 1.00 0.00 H new ATOM 0 HA THR A 20 1.722 -6.614 -11.066 1.00 0.00 H new ATOM 0 HB THR A 20 1.517 -8.854 -9.012 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.087 -8.298 -11.160 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.089 -10.019 -10.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.682 -8.518 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.101 -8.570 -11.700 1.00 0.00 H new ATOM 285 N TRP A 21 -0.569 -5.842 -10.374 1.00 0.00 N ATOM 286 CA TRP A 21 -1.851 -5.252 -9.923 1.00 0.00 C ATOM 287 C TRP A 21 -2.941 -6.326 -9.933 1.00 0.00 C ATOM 288 O TRP A 21 -3.686 -6.457 -10.885 1.00 0.00 O ATOM 289 CB TRP A 21 -2.232 -4.127 -10.879 1.00 0.00 C ATOM 290 CG TRP A 21 -1.671 -2.834 -10.381 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.510 -2.275 -10.800 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.222 -1.929 -9.381 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.317 -1.086 -10.118 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.342 -0.832 -9.237 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.388 -1.953 -8.592 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.603 0.204 -8.348 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.657 -0.907 -7.690 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.764 0.170 -7.570 1.00 0.00 C ATOM 0 H TRP A 21 -0.401 -5.794 -11.379 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.746 -4.861 -8.911 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.850 -4.340 -11.878 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.317 -4.057 -10.960 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.155 -2.689 -11.543 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.487 -0.473 -10.252 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.079 -2.778 -8.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.913 1.030 -8.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.553 -0.933 -7.088 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.974 0.971 -6.877 1.00 0.00 H new ATOM 309 N HIS A 22 -3.037 -7.097 -8.884 1.00 0.00 N ATOM 310 CA HIS A 22 -4.086 -8.169 -8.839 1.00 0.00 C ATOM 311 C HIS A 22 -5.405 -7.611 -9.376 1.00 0.00 C ATOM 312 O HIS A 22 -5.918 -8.062 -10.382 1.00 0.00 O ATOM 313 CB HIS A 22 -4.299 -8.657 -7.398 1.00 0.00 C ATOM 314 CG HIS A 22 -3.007 -8.573 -6.643 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.572 -7.391 -6.074 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.021 -9.495 -6.399 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.371 -7.621 -5.531 1.00 0.00 C ATOM 318 NE2 HIS A 22 -0.984 -8.891 -5.695 1.00 0.00 N ATOM 0 H HIS A 22 -2.441 -7.036 -8.059 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.754 -9.007 -9.452 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.059 -8.050 -6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.664 -9.684 -7.401 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.046 -10.530 -6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.784 -6.871 -5.021 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.117 -9.323 -5.374 1.00 0.00 H new ATOM 326 N LYS A 23 -5.960 -6.633 -8.715 1.00 0.00 N ATOM 327 CA LYS A 23 -7.245 -6.047 -9.188 1.00 0.00 C ATOM 328 C LYS A 23 -6.957 -4.855 -10.102 1.00 0.00 C ATOM 329 O LYS A 23 -5.826 -4.597 -10.464 1.00 0.00 O ATOM 330 CB LYS A 23 -8.066 -5.580 -7.984 1.00 0.00 C ATOM 331 CG LYS A 23 -9.148 -6.614 -7.670 1.00 0.00 C ATOM 332 CD LYS A 23 -8.607 -7.631 -6.664 1.00 0.00 C ATOM 333 CE LYS A 23 -9.565 -8.821 -6.574 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.775 -8.426 -5.799 1.00 0.00 N ATOM 0 H LYS A 23 -5.578 -6.214 -7.867 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.806 -6.801 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.417 -5.444 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.523 -4.613 -8.195 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.031 -6.120 -7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.458 -7.121 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.617 -7.970 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.496 -7.166 -5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.851 -9.148 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.070 -9.664 -6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.427 -9.234 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.494 -8.134 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.250 -7.634 -6.277 1.00 0.00 H new ATOM 348 N LYS A 24 -7.972 -4.126 -10.479 1.00 0.00 N ATOM 349 CA LYS A 24 -7.756 -2.951 -11.371 1.00 0.00 C ATOM 350 C LYS A 24 -8.587 -1.769 -10.867 1.00 0.00 C ATOM 351 O LYS A 24 -9.488 -1.941 -10.070 1.00 0.00 O ATOM 352 CB LYS A 24 -8.184 -3.307 -12.798 1.00 0.00 C ATOM 353 CG LYS A 24 -9.357 -4.288 -12.751 1.00 0.00 C ATOM 354 CD LYS A 24 -8.841 -5.713 -12.954 1.00 0.00 C ATOM 355 CE LYS A 24 -8.954 -6.092 -14.431 1.00 0.00 C ATOM 356 NZ LYS A 24 -10.124 -6.994 -14.624 1.00 0.00 N ATOM 0 H LYS A 24 -8.941 -4.293 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.700 -2.680 -11.367 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.472 -2.405 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.348 -3.749 -13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.872 -4.210 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.083 -4.040 -13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.804 -5.785 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.416 -6.410 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.068 -5.195 -15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.041 -6.587 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.201 -7.252 -15.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.997 -7.855 -14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.992 -6.506 -14.324 1.00 0.00 H new ATOM 370 N PRO A 25 -8.259 -0.598 -11.352 1.00 0.00 N ATOM 371 CA PRO A 25 -8.956 0.643 -10.974 1.00 0.00 C ATOM 372 C PRO A 25 -10.297 0.746 -11.708 1.00 0.00 C ATOM 373 O PRO A 25 -10.380 1.283 -12.795 1.00 0.00 O ATOM 374 CB PRO A 25 -7.997 1.747 -11.427 1.00 0.00 C ATOM 375 CG PRO A 25 -7.099 1.122 -12.521 1.00 0.00 C ATOM 376 CD PRO A 25 -7.160 -0.403 -12.321 1.00 0.00 C ATOM 0 HA PRO A 25 -9.187 0.699 -9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.547 2.603 -11.818 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.397 2.108 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.451 1.397 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.074 1.484 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.360 -0.920 -13.259 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.217 -0.792 -11.937 1.00 0.00 H new ATOM 384 N GLY A 26 -11.345 0.236 -11.122 1.00 0.00 N ATOM 385 CA GLY A 26 -12.678 0.304 -11.785 1.00 0.00 C ATOM 386 C GLY A 26 -13.607 -0.744 -11.170 1.00 0.00 C ATOM 387 O GLY A 26 -14.815 -0.624 -11.224 1.00 0.00 O ATOM 0 H GLY A 26 -11.336 -0.225 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.105 1.300 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.573 0.129 -12.856 1.00 0.00 H new ATOM 391 N GLU A 27 -13.052 -1.771 -10.586 1.00 0.00 N ATOM 392 CA GLU A 27 -13.903 -2.826 -9.968 1.00 0.00 C ATOM 393 C GLU A 27 -14.088 -2.525 -8.480 1.00 0.00 C ATOM 394 O GLU A 27 -13.697 -1.481 -7.995 1.00 0.00 O ATOM 395 CB GLU A 27 -13.227 -4.188 -10.132 1.00 0.00 C ATOM 396 CG GLU A 27 -12.790 -4.369 -11.588 1.00 0.00 C ATOM 397 CD GLU A 27 -14.023 -4.579 -12.468 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.012 -5.078 -11.959 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.956 -4.236 -13.638 1.00 0.00 O ATOM 0 H GLU A 27 -12.046 -1.925 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.876 -2.842 -10.460 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.364 -4.259 -9.470 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.915 -4.984 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.235 -3.493 -11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.119 -5.224 -11.674 1.00 0.00 H new ATOM 406 N ALA A 28 -14.682 -3.429 -7.751 1.00 0.00 N ATOM 407 CA ALA A 28 -14.891 -3.192 -6.294 1.00 0.00 C ATOM 408 C ALA A 28 -13.896 -4.034 -5.492 1.00 0.00 C ATOM 409 O ALA A 28 -13.500 -5.105 -5.906 1.00 0.00 O ATOM 410 CB ALA A 28 -16.318 -3.589 -5.912 1.00 0.00 C ATOM 0 H ALA A 28 -15.032 -4.321 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.736 -2.136 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.471 -3.416 -4.847 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.027 -2.990 -6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.474 -4.645 -6.134 1.00 0.00 H new ATOM 416 N VAL A 29 -13.489 -3.558 -4.348 1.00 0.00 N ATOM 417 CA VAL A 29 -12.520 -4.331 -3.521 1.00 0.00 C ATOM 418 C VAL A 29 -13.144 -4.636 -2.158 1.00 0.00 C ATOM 419 O VAL A 29 -14.235 -4.198 -1.851 1.00 0.00 O ATOM 420 CB VAL A 29 -11.245 -3.508 -3.326 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.671 -3.125 -4.691 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.575 -2.238 -2.539 1.00 0.00 C ATOM 0 H VAL A 29 -13.785 -2.667 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.275 -5.265 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.512 -4.098 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.763 -2.539 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.437 -4.029 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.404 -2.534 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.668 -1.651 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.308 -1.648 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.985 -2.509 -1.566 1.00 0.00 H new ATOM 432 N LYS A 30 -12.460 -5.385 -1.336 1.00 0.00 N ATOM 433 CA LYS A 30 -13.015 -5.718 0.006 1.00 0.00 C ATOM 434 C LYS A 30 -11.991 -5.357 1.084 1.00 0.00 C ATOM 435 O LYS A 30 -10.833 -5.714 0.998 1.00 0.00 O ATOM 436 CB LYS A 30 -13.322 -7.215 0.075 1.00 0.00 C ATOM 437 CG LYS A 30 -14.200 -7.501 1.295 1.00 0.00 C ATOM 438 CD LYS A 30 -13.427 -8.369 2.289 1.00 0.00 C ATOM 439 CE LYS A 30 -14.118 -9.726 2.428 1.00 0.00 C ATOM 440 NZ LYS A 30 -13.464 -10.712 1.521 1.00 0.00 N ATOM 0 H LYS A 30 -11.541 -5.780 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.932 -5.152 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.830 -7.535 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.395 -7.784 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.499 -6.566 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.114 -8.009 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.401 -8.505 1.948 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.377 -7.873 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.060 -10.071 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.176 -9.634 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.934 -11.635 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.541 -10.383 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.460 -10.807 1.777 1.00 0.00 H new ATOM 454 N ARG A 31 -12.409 -4.649 2.099 1.00 0.00 N ATOM 455 CA ARG A 31 -11.464 -4.262 3.181 1.00 0.00 C ATOM 456 C ARG A 31 -10.574 -5.456 3.538 1.00 0.00 C ATOM 457 O ARG A 31 -11.019 -6.586 3.566 1.00 0.00 O ATOM 458 CB ARG A 31 -12.254 -3.829 4.418 1.00 0.00 C ATOM 459 CG ARG A 31 -11.307 -3.704 5.613 1.00 0.00 C ATOM 460 CD ARG A 31 -12.010 -2.953 6.745 1.00 0.00 C ATOM 461 NE ARG A 31 -10.990 -2.365 7.658 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.018 -2.644 8.933 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.710 -1.897 9.748 1.00 0.00 N ATOM 464 NH2 ARG A 31 -10.354 -3.668 9.392 1.00 0.00 N ATOM 0 H ARG A 31 -13.367 -4.322 2.224 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.841 -3.436 2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.748 -2.876 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.036 -4.556 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.002 -4.693 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.401 -3.174 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.644 -2.166 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.660 -3.631 7.297 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.270 -1.745 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.229 -1.096 9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.732 -2.114 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.812 -4.252 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.376 -3.885 10.388 1.00 0.00 H new ATOM 478 N ASP A 32 -9.322 -5.214 3.811 1.00 0.00 N ATOM 479 CA ASP A 32 -8.406 -6.334 4.166 1.00 0.00 C ATOM 480 C ASP A 32 -8.237 -7.257 2.956 1.00 0.00 C ATOM 481 O ASP A 32 -8.299 -8.465 3.072 1.00 0.00 O ATOM 482 CB ASP A 32 -8.998 -7.127 5.332 1.00 0.00 C ATOM 483 CG ASP A 32 -7.868 -7.760 6.146 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.179 -8.609 5.605 1.00 0.00 O ATOM 485 OD2 ASP A 32 -7.711 -7.386 7.297 1.00 0.00 O ATOM 0 H ASP A 32 -8.893 -4.289 3.804 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.435 -5.932 4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.594 -6.471 5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.667 -7.901 4.956 1.00 0.00 H new ATOM 490 N GLU A 33 -8.021 -6.697 1.798 1.00 0.00 N ATOM 491 CA GLU A 33 -7.847 -7.543 0.583 1.00 0.00 C ATOM 492 C GLU A 33 -6.680 -7.008 -0.249 1.00 0.00 C ATOM 493 O GLU A 33 -6.649 -5.851 -0.618 1.00 0.00 O ATOM 494 CB GLU A 33 -9.129 -7.505 -0.253 1.00 0.00 C ATOM 495 CG GLU A 33 -9.089 -8.620 -1.299 1.00 0.00 C ATOM 496 CD GLU A 33 -10.493 -9.201 -1.481 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.839 -10.102 -0.736 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.196 -8.733 -2.361 1.00 0.00 O ATOM 0 H GLU A 33 -7.957 -5.691 1.640 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.638 -8.570 0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.000 -7.627 0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.228 -6.536 -0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.720 -8.230 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.398 -9.403 -0.985 1.00 0.00 H new ATOM 505 N LEU A 34 -5.719 -7.841 -0.543 1.00 0.00 N ATOM 506 CA LEU A 34 -4.553 -7.384 -1.349 1.00 0.00 C ATOM 507 C LEU A 34 -5.040 -6.509 -2.506 1.00 0.00 C ATOM 508 O LEU A 34 -6.140 -6.671 -2.997 1.00 0.00 O ATOM 509 CB LEU A 34 -3.810 -8.599 -1.905 1.00 0.00 C ATOM 510 CG LEU A 34 -2.574 -8.133 -2.676 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.668 -7.323 -1.748 1.00 0.00 C ATOM 512 CD2 LEU A 34 -1.810 -9.354 -3.196 1.00 0.00 C ATOM 0 H LEU A 34 -5.692 -8.820 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.880 -6.805 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.516 -9.262 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.466 -9.171 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.882 -7.510 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.787 -6.991 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.212 -6.455 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.358 -7.945 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.928 -9.025 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.502 -9.976 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.455 -9.932 -3.857 1.00 0.00 H new ATOM 524 N ILE A 35 -4.231 -5.585 -2.945 1.00 0.00 N ATOM 525 CA ILE A 35 -4.650 -4.702 -4.071 1.00 0.00 C ATOM 526 C ILE A 35 -3.468 -4.486 -5.018 1.00 0.00 C ATOM 527 O ILE A 35 -3.624 -4.452 -6.223 1.00 0.00 O ATOM 528 CB ILE A 35 -5.112 -3.353 -3.516 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.433 -3.539 -2.765 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.317 -2.370 -4.670 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.036 -2.170 -2.448 1.00 0.00 C ATOM 0 H ILE A 35 -3.299 -5.403 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.470 -5.172 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.357 -2.961 -2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.128 -4.123 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.265 -4.096 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.646 -1.409 -4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.378 -2.239 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.073 -2.761 -5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.977 -2.302 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.343 -1.602 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.219 -1.629 -3.377 1.00 0.00 H new ATOM 543 N VAL A 36 -2.286 -4.341 -4.485 1.00 0.00 N ATOM 544 CA VAL A 36 -1.097 -4.127 -5.357 1.00 0.00 C ATOM 545 C VAL A 36 0.161 -4.608 -4.632 1.00 0.00 C ATOM 546 O VAL A 36 0.397 -4.272 -3.488 1.00 0.00 O ATOM 547 CB VAL A 36 -0.963 -2.638 -5.680 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.596 -1.869 -4.409 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.136 -2.442 -6.728 1.00 0.00 C ATOM 0 H VAL A 36 -2.092 -4.361 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.219 -4.690 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.910 -2.265 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.501 -0.808 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.377 -2.009 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.351 -2.242 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.233 -1.381 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.082 -2.816 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.124 -2.989 -7.634 1.00 0.00 H new ATOM 559 N ASP A 37 0.973 -5.392 -5.287 1.00 0.00 N ATOM 560 CA ASP A 37 2.214 -5.893 -4.634 1.00 0.00 C ATOM 561 C ASP A 37 3.395 -5.009 -5.039 1.00 0.00 C ATOM 562 O ASP A 37 3.404 -4.416 -6.099 1.00 0.00 O ATOM 563 CB ASP A 37 2.480 -7.334 -5.079 1.00 0.00 C ATOM 564 CG ASP A 37 1.680 -8.296 -4.198 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.350 -7.915 -3.087 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.411 -9.396 -4.651 1.00 0.00 O ATOM 0 H ASP A 37 0.830 -5.707 -6.247 1.00 0.00 H new ATOM 0 HA ASP A 37 2.092 -5.864 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.198 -7.461 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.544 -7.558 -5.007 1.00 0.00 H new ATOM 571 N ILE A 38 4.391 -4.915 -4.202 1.00 0.00 N ATOM 572 CA ILE A 38 5.570 -4.068 -4.540 1.00 0.00 C ATOM 573 C ILE A 38 6.813 -4.952 -4.671 1.00 0.00 C ATOM 574 O ILE A 38 6.954 -5.946 -3.987 1.00 0.00 O ATOM 575 CB ILE A 38 5.793 -3.037 -3.432 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.445 -2.456 -2.999 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.688 -1.913 -3.952 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.676 -1.289 -2.038 1.00 0.00 C ATOM 0 H ILE A 38 4.440 -5.387 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 38 5.388 -3.554 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 38 6.274 -3.518 -2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.886 -2.117 -3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.844 -3.226 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.846 -1.179 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.648 -2.326 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.209 -1.431 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.716 -0.876 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.217 -1.642 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.260 -0.516 -2.538 1.00 0.00 H new ATOM 590 N GLU A 39 7.714 -4.597 -5.545 1.00 0.00 N ATOM 591 CA GLU A 39 8.946 -5.418 -5.717 1.00 0.00 C ATOM 592 C GLU A 39 10.164 -4.612 -5.263 1.00 0.00 C ATOM 593 O GLU A 39 10.544 -3.639 -5.884 1.00 0.00 O ATOM 594 CB GLU A 39 9.105 -5.795 -7.192 1.00 0.00 C ATOM 595 CG GLU A 39 9.731 -7.186 -7.299 1.00 0.00 C ATOM 596 CD GLU A 39 11.195 -7.057 -7.724 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.900 -6.268 -7.116 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.587 -7.749 -8.650 1.00 0.00 O ATOM 0 H GLU A 39 7.651 -3.776 -6.147 1.00 0.00 H new ATOM 0 HA GLU A 39 8.866 -6.324 -5.116 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.135 -5.782 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.732 -5.062 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.664 -7.701 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.183 -7.788 -8.024 1.00 0.00 H new ATOM 605 N THR A 40 10.780 -5.007 -4.182 1.00 0.00 N ATOM 606 CA THR A 40 11.971 -4.262 -3.689 1.00 0.00 C ATOM 607 C THR A 40 13.236 -5.082 -3.969 1.00 0.00 C ATOM 608 O THR A 40 13.275 -5.882 -4.883 1.00 0.00 O ATOM 609 CB THR A 40 11.827 -4.014 -2.181 1.00 0.00 C ATOM 610 OG1 THR A 40 12.708 -2.972 -1.786 1.00 0.00 O ATOM 611 CG2 THR A 40 12.162 -5.291 -1.407 1.00 0.00 C ATOM 0 H THR A 40 10.509 -5.814 -3.620 1.00 0.00 H new ATOM 0 HA THR A 40 12.046 -3.304 -4.203 1.00 0.00 H new ATOM 0 HB THR A 40 10.799 -3.725 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.615 -2.812 -0.824 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.057 -5.106 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.480 -6.087 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.187 -5.590 -1.625 1.00 0.00 H new ATOM 619 N ASP A 41 14.267 -4.889 -3.194 1.00 0.00 N ATOM 620 CA ASP A 41 15.525 -5.654 -3.418 1.00 0.00 C ATOM 621 C ASP A 41 15.191 -7.120 -3.706 1.00 0.00 C ATOM 622 O ASP A 41 15.323 -7.590 -4.818 1.00 0.00 O ATOM 623 CB ASP A 41 16.404 -5.568 -2.168 1.00 0.00 C ATOM 624 CG ASP A 41 17.837 -5.218 -2.575 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.070 -4.071 -2.917 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.674 -6.104 -2.537 1.00 0.00 O ATOM 0 H ASP A 41 14.292 -4.233 -2.413 1.00 0.00 H new ATOM 0 HA ASP A 41 16.059 -5.230 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.013 -4.812 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.388 -6.518 -1.633 1.00 0.00 H new ATOM 631 N LYS A 42 14.757 -7.846 -2.711 1.00 0.00 N ATOM 632 CA LYS A 42 14.415 -9.280 -2.930 1.00 0.00 C ATOM 633 C LYS A 42 13.206 -9.654 -2.071 1.00 0.00 C ATOM 634 O LYS A 42 13.120 -10.746 -1.545 1.00 0.00 O ATOM 635 CB LYS A 42 15.609 -10.154 -2.536 1.00 0.00 C ATOM 636 CG LYS A 42 16.858 -9.678 -3.280 1.00 0.00 C ATOM 637 CD LYS A 42 17.880 -10.815 -3.343 1.00 0.00 C ATOM 638 CE LYS A 42 18.844 -10.701 -2.160 1.00 0.00 C ATOM 639 NZ LYS A 42 19.535 -9.382 -2.209 1.00 0.00 N ATOM 0 H LYS A 42 14.625 -7.508 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 42 14.177 -9.440 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 42 15.772 -10.102 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.405 -11.197 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.594 -9.356 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.289 -8.815 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.370 -11.778 -3.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.432 -10.770 -4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.299 -10.804 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.575 -11.508 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.505 -9.485 -1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.564 -9.042 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.018 -8.697 -1.621 1.00 0.00 H new ATOM 653 N VAL A 43 12.271 -8.755 -1.924 1.00 0.00 N ATOM 654 CA VAL A 43 11.068 -9.061 -1.098 1.00 0.00 C ATOM 655 C VAL A 43 9.851 -8.342 -1.684 1.00 0.00 C ATOM 656 O VAL A 43 9.955 -7.250 -2.207 1.00 0.00 O ATOM 657 CB VAL A 43 11.300 -8.583 0.336 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.390 -9.363 1.288 1.00 0.00 C ATOM 659 CG2 VAL A 43 12.761 -8.821 0.722 1.00 0.00 C ATOM 0 H VAL A 43 12.288 -7.824 -2.339 1.00 0.00 H new ATOM 0 HA VAL A 43 10.890 -10.136 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 43 11.073 -7.519 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.555 -9.022 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.348 -9.196 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.617 -10.427 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.927 -8.481 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 43 12.987 -9.885 0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.411 -8.267 0.045 1.00 0.00 H new ATOM 669 N VAL A 44 8.697 -8.946 -1.600 1.00 0.00 N ATOM 670 CA VAL A 44 7.475 -8.296 -2.152 1.00 0.00 C ATOM 671 C VAL A 44 6.565 -7.862 -1.001 1.00 0.00 C ATOM 672 O VAL A 44 6.315 -8.611 -0.078 1.00 0.00 O ATOM 673 CB VAL A 44 6.729 -9.289 -3.046 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.301 -10.501 -2.218 1.00 0.00 C ATOM 675 CG2 VAL A 44 5.489 -8.611 -3.634 1.00 0.00 C ATOM 0 H VAL A 44 8.548 -9.860 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 44 7.761 -7.423 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 44 7.385 -9.615 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.770 -11.208 -2.855 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.183 -10.984 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.645 -10.177 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.956 -9.317 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 44 4.834 -8.286 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.793 -7.747 -4.225 1.00 0.00 H new ATOM 685 N MET A 45 6.067 -6.657 -1.049 1.00 0.00 N ATOM 686 CA MET A 45 5.174 -6.175 0.043 1.00 0.00 C ATOM 687 C MET A 45 3.727 -6.159 -0.452 1.00 0.00 C ATOM 688 O MET A 45 3.417 -5.584 -1.476 1.00 0.00 O ATOM 689 CB MET A 45 5.588 -4.761 0.454 1.00 0.00 C ATOM 690 CG MET A 45 6.646 -4.839 1.557 1.00 0.00 C ATOM 691 SD MET A 45 6.481 -3.409 2.654 1.00 0.00 S ATOM 692 CE MET A 45 8.248 -3.106 2.899 1.00 0.00 C ATOM 0 H MET A 45 6.240 -5.985 -1.797 1.00 0.00 H new ATOM 0 HA MET A 45 5.257 -6.842 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.984 -4.222 -0.407 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.720 -4.205 0.807 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.527 -5.762 2.125 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.643 -4.861 1.118 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.382 -2.249 3.558 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.709 -3.985 3.349 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.719 -2.901 1.937 1.00 0.00 H new ATOM 702 N GLU A 46 2.836 -6.787 0.267 1.00 0.00 N ATOM 703 CA GLU A 46 1.410 -6.806 -0.163 1.00 0.00 C ATOM 704 C GLU A 46 0.732 -5.501 0.261 1.00 0.00 C ATOM 705 O GLU A 46 0.841 -5.073 1.394 1.00 0.00 O ATOM 706 CB GLU A 46 0.695 -7.989 0.494 1.00 0.00 C ATOM 707 CG GLU A 46 1.650 -9.182 0.575 1.00 0.00 C ATOM 708 CD GLU A 46 0.873 -10.430 0.999 1.00 0.00 C ATOM 709 OE1 GLU A 46 -0.037 -10.809 0.281 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.202 -10.986 2.034 1.00 0.00 O ATOM 0 H GLU A 46 3.035 -7.287 1.133 1.00 0.00 H new ATOM 0 HA GLU A 46 1.359 -6.907 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.355 -7.713 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.191 -8.257 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.125 -9.347 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.446 -8.976 1.290 1.00 0.00 H new ATOM 717 N VAL A 47 0.034 -4.865 -0.638 1.00 0.00 N ATOM 718 CA VAL A 47 -0.649 -3.589 -0.286 1.00 0.00 C ATOM 719 C VAL A 47 -2.163 -3.768 -0.413 1.00 0.00 C ATOM 720 O VAL A 47 -2.711 -3.754 -1.498 1.00 0.00 O ATOM 721 CB VAL A 47 -0.186 -2.482 -1.235 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.923 -1.183 -0.905 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.320 -2.269 -1.069 1.00 0.00 C ATOM 0 H VAL A 47 -0.093 -5.174 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.400 -3.316 0.739 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.404 -2.770 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.592 -0.395 -1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.996 -1.334 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.706 -0.893 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.653 -1.481 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.535 -1.980 -0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.846 -3.194 -1.304 1.00 0.00 H new ATOM 733 N LEU A 48 -2.845 -3.936 0.687 1.00 0.00 N ATOM 734 CA LEU A 48 -4.317 -4.115 0.633 1.00 0.00 C ATOM 735 C LEU A 48 -5.003 -2.810 1.041 1.00 0.00 C ATOM 736 O LEU A 48 -4.396 -1.936 1.628 1.00 0.00 O ATOM 737 CB LEU A 48 -4.742 -5.234 1.590 1.00 0.00 C ATOM 738 CG LEU A 48 -3.671 -5.476 2.658 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.554 -4.243 3.554 1.00 0.00 C ATOM 740 CD2 LEU A 48 -4.066 -6.686 3.509 1.00 0.00 C ATOM 0 H LEU A 48 -2.441 -3.957 1.623 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.609 -4.382 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.685 -4.970 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.915 -6.152 1.028 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.713 -5.666 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.792 -4.416 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.275 -3.380 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.512 -4.053 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.305 -6.860 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.024 -6.494 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.150 -7.567 2.872 1.00 0.00 H new ATOM 752 N ALA A 49 -6.264 -2.670 0.737 1.00 0.00 N ATOM 753 CA ALA A 49 -6.987 -1.422 1.108 1.00 0.00 C ATOM 754 C ALA A 49 -7.378 -1.479 2.587 1.00 0.00 C ATOM 755 O ALA A 49 -7.738 -2.517 3.103 1.00 0.00 O ATOM 756 CB ALA A 49 -8.248 -1.290 0.253 1.00 0.00 C ATOM 0 H ALA A 49 -6.825 -3.367 0.247 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.339 -0.562 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.778 -0.377 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.971 -1.250 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.896 -2.150 0.425 1.00 0.00 H new ATOM 762 N GLU A 50 -7.307 -0.371 3.272 1.00 0.00 N ATOM 763 CA GLU A 50 -7.674 -0.362 4.715 1.00 0.00 C ATOM 764 C GLU A 50 -9.194 -0.242 4.856 1.00 0.00 C ATOM 765 O GLU A 50 -9.714 -0.066 5.940 1.00 0.00 O ATOM 766 CB GLU A 50 -7.003 0.826 5.406 1.00 0.00 C ATOM 767 CG GLU A 50 -6.027 0.315 6.468 1.00 0.00 C ATOM 768 CD GLU A 50 -4.926 1.353 6.692 1.00 0.00 C ATOM 769 OE1 GLU A 50 -4.612 2.067 5.753 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.415 1.417 7.798 1.00 0.00 O ATOM 0 H GLU A 50 -7.010 0.529 2.894 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.338 -1.289 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.473 1.435 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.756 1.465 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.556 0.124 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.590 -0.631 6.150 1.00 0.00 H new ATOM 777 N ALA A 51 -9.909 -0.335 3.769 1.00 0.00 N ATOM 778 CA ALA A 51 -11.393 -0.225 3.841 1.00 0.00 C ATOM 779 C ALA A 51 -11.990 -0.440 2.449 1.00 0.00 C ATOM 780 O ALA A 51 -11.445 -0.003 1.456 1.00 0.00 O ATOM 781 CB ALA A 51 -11.779 1.165 4.352 1.00 0.00 C ATOM 0 H ALA A 51 -9.530 -0.482 2.834 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.779 -0.983 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.865 1.245 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.356 1.318 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.392 1.923 3.671 1.00 0.00 H new ATOM 787 N ASP A 52 -13.106 -1.112 2.368 1.00 0.00 N ATOM 788 CA ASP A 52 -13.734 -1.354 1.040 1.00 0.00 C ATOM 789 C ASP A 52 -14.012 -0.011 0.359 1.00 0.00 C ATOM 790 O ASP A 52 -13.882 1.041 0.951 1.00 0.00 O ATOM 791 CB ASP A 52 -15.040 -2.148 1.235 1.00 0.00 C ATOM 792 CG ASP A 52 -16.064 -1.808 0.145 1.00 0.00 C ATOM 793 OD1 ASP A 52 -15.975 -2.386 -0.925 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.919 -0.977 0.403 1.00 0.00 O ATOM 0 H ASP A 52 -13.609 -1.503 3.164 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.063 -1.933 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.825 -3.216 1.215 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.461 -1.925 2.215 1.00 0.00 H new ATOM 799 N GLY A 53 -14.393 -0.049 -0.886 1.00 0.00 N ATOM 800 CA GLY A 53 -14.681 1.216 -1.620 1.00 0.00 C ATOM 801 C GLY A 53 -14.445 1.004 -3.116 1.00 0.00 C ATOM 802 O GLY A 53 -14.694 -0.059 -3.649 1.00 0.00 O ATOM 0 H GLY A 53 -14.518 -0.903 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.712 1.524 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.041 2.017 -1.250 1.00 0.00 H new ATOM 806 N VAL A 54 -13.967 2.009 -3.798 1.00 0.00 N ATOM 807 CA VAL A 54 -13.716 1.863 -5.260 1.00 0.00 C ATOM 808 C VAL A 54 -12.387 2.533 -5.618 1.00 0.00 C ATOM 809 O VAL A 54 -12.171 3.694 -5.335 1.00 0.00 O ATOM 810 CB VAL A 54 -14.849 2.530 -6.041 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.459 2.640 -7.516 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.119 1.685 -5.913 1.00 0.00 C ATOM 0 H VAL A 54 -13.740 2.923 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.671 0.805 -5.517 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.030 3.527 -5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.267 3.116 -8.072 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.553 3.239 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.278 1.644 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.928 2.158 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.936 0.689 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.399 1.605 -4.862 1.00 0.00 H new ATOM 822 N ILE A 55 -11.496 1.809 -6.239 1.00 0.00 N ATOM 823 CA ILE A 55 -10.183 2.404 -6.614 1.00 0.00 C ATOM 824 C ILE A 55 -10.411 3.621 -7.513 1.00 0.00 C ATOM 825 O ILE A 55 -11.468 3.791 -8.087 1.00 0.00 O ATOM 826 CB ILE A 55 -9.348 1.365 -7.359 1.00 0.00 C ATOM 827 CG1 ILE A 55 -8.874 0.304 -6.361 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.140 2.050 -8.003 1.00 0.00 C ATOM 829 CD1 ILE A 55 -7.713 -0.491 -6.959 1.00 0.00 C ATOM 0 H ILE A 55 -11.621 0.832 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.654 2.715 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.946 0.893 -8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.560 0.780 -5.432 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.696 -0.367 -6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.543 1.310 -8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.484 2.811 -8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.532 2.518 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.381 -1.244 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.042 -0.981 -7.875 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.888 0.184 -7.185 1.00 0.00 H new ATOM 841 N ALA A 56 -9.427 4.470 -7.639 1.00 0.00 N ATOM 842 CA ALA A 56 -9.588 5.674 -8.501 1.00 0.00 C ATOM 843 C ALA A 56 -8.972 5.405 -9.875 1.00 0.00 C ATOM 844 O ALA A 56 -9.661 5.334 -10.873 1.00 0.00 O ATOM 845 CB ALA A 56 -8.883 6.865 -7.850 1.00 0.00 C ATOM 0 H ALA A 56 -8.519 4.381 -7.182 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.648 5.898 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.000 7.746 -8.480 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.323 7.058 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.823 6.641 -7.734 1.00 0.00 H new ATOM 851 N GLU A 57 -7.677 5.253 -9.935 1.00 0.00 N ATOM 852 CA GLU A 57 -7.018 4.988 -11.245 1.00 0.00 C ATOM 853 C GLU A 57 -5.526 4.729 -11.022 1.00 0.00 C ATOM 854 O GLU A 57 -4.882 5.392 -10.233 1.00 0.00 O ATOM 855 CB GLU A 57 -7.193 6.202 -12.160 1.00 0.00 C ATOM 856 CG GLU A 57 -7.092 5.759 -13.620 1.00 0.00 C ATOM 857 CD GLU A 57 -7.815 6.771 -14.511 1.00 0.00 C ATOM 858 OE1 GLU A 57 -7.730 7.954 -14.222 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.442 6.348 -15.469 1.00 0.00 O ATOM 0 H GLU A 57 -7.047 5.301 -9.134 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.474 4.114 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.159 6.672 -11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.429 6.948 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.046 5.680 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.533 4.770 -13.742 1.00 0.00 H new ATOM 866 N ILE A 58 -4.972 3.770 -11.710 1.00 0.00 N ATOM 867 CA ILE A 58 -3.522 3.470 -11.537 1.00 0.00 C ATOM 868 C ILE A 58 -2.737 4.066 -12.707 1.00 0.00 C ATOM 869 O ILE A 58 -2.957 3.727 -13.853 1.00 0.00 O ATOM 870 CB ILE A 58 -3.316 1.954 -11.503 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.207 1.342 -10.421 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.850 1.645 -11.191 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.048 2.133 -9.121 1.00 0.00 C ATOM 0 H ILE A 58 -5.460 3.181 -12.385 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.168 3.905 -10.602 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.579 1.530 -12.472 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.249 1.355 -10.742 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.937 0.298 -10.260 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.703 0.565 -11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.214 2.081 -11.962 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.587 2.069 -10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.683 1.697 -8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.008 2.097 -8.798 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.340 3.170 -9.288 1.00 0.00 H new ATOM 885 N VAL A 59 -1.821 4.953 -12.428 1.00 0.00 N ATOM 886 CA VAL A 59 -1.023 5.570 -13.525 1.00 0.00 C ATOM 887 C VAL A 59 0.230 4.729 -13.777 1.00 0.00 C ATOM 888 O VAL A 59 0.849 4.817 -14.820 1.00 0.00 O ATOM 889 CB VAL A 59 -0.612 6.987 -13.122 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.027 7.693 -14.319 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.850 7.768 -12.674 1.00 0.00 C ATOM 0 H VAL A 59 -1.591 5.277 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.624 5.611 -14.433 1.00 0.00 H new ATOM 0 HB VAL A 59 0.105 6.938 -12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.320 8.703 -14.032 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.908 7.138 -14.641 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.691 7.742 -15.138 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.559 8.778 -12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.566 7.817 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.308 7.266 -11.822 1.00 0.00 H new ATOM 901 N LYS A 60 0.608 3.913 -12.832 1.00 0.00 N ATOM 902 CA LYS A 60 1.820 3.067 -13.018 1.00 0.00 C ATOM 903 C LYS A 60 1.400 1.667 -13.472 1.00 0.00 C ATOM 904 O LYS A 60 0.516 1.059 -12.900 1.00 0.00 O ATOM 905 CB LYS A 60 2.581 2.968 -11.695 1.00 0.00 C ATOM 906 CG LYS A 60 3.971 3.584 -11.857 1.00 0.00 C ATOM 907 CD LYS A 60 3.921 5.065 -11.478 1.00 0.00 C ATOM 908 CE LYS A 60 4.136 5.921 -12.727 1.00 0.00 C ATOM 909 NZ LYS A 60 3.738 7.328 -12.440 1.00 0.00 N ATOM 0 H LYS A 60 0.130 3.796 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 60 2.464 3.516 -13.774 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.032 3.485 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.667 1.925 -11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.688 3.060 -11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.312 3.473 -12.886 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.959 5.302 -11.023 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.688 5.287 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.182 5.883 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.548 5.527 -13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.557 7.827 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.875 7.333 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.504 7.807 -11.925 1.00 0.00 H new ATOM 923 N ASN A 61 2.025 1.152 -14.494 1.00 0.00 N ATOM 924 CA ASN A 61 1.660 -0.208 -14.982 1.00 0.00 C ATOM 925 C ASN A 61 2.634 -1.236 -14.403 1.00 0.00 C ATOM 926 O ASN A 61 3.747 -0.913 -14.035 1.00 0.00 O ATOM 927 CB ASN A 61 1.734 -0.239 -16.509 1.00 0.00 C ATOM 928 CG ASN A 61 0.471 0.394 -17.096 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.573 -0.228 -17.134 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.521 1.613 -17.558 1.00 0.00 N ATOM 0 H ASN A 61 2.772 1.613 -15.012 1.00 0.00 H new ATOM 0 HA ASN A 61 0.646 -0.448 -14.663 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.617 0.301 -16.852 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.834 -1.267 -16.858 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.316 2.044 -17.951 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.397 2.135 -17.526 1.00 0.00 H new ATOM 937 N GLU A 62 2.225 -2.472 -14.318 1.00 0.00 N ATOM 938 CA GLU A 62 3.129 -3.518 -13.762 1.00 0.00 C ATOM 939 C GLU A 62 4.480 -3.458 -14.476 1.00 0.00 C ATOM 940 O GLU A 62 4.565 -3.106 -15.637 1.00 0.00 O ATOM 941 CB GLU A 62 2.501 -4.898 -13.975 1.00 0.00 C ATOM 942 CG GLU A 62 1.134 -4.949 -13.291 1.00 0.00 C ATOM 943 CD GLU A 62 0.529 -6.344 -13.462 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.219 -7.307 -13.168 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.613 -6.425 -13.882 1.00 0.00 O ATOM 0 H GLU A 62 1.305 -2.803 -14.609 1.00 0.00 H new ATOM 0 HA GLU A 62 3.274 -3.344 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.394 -5.100 -15.041 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.152 -5.672 -13.568 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.237 -4.713 -12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.472 -4.198 -13.722 1.00 0.00 H new ATOM 952 N GLY A 63 5.538 -3.795 -13.793 1.00 0.00 N ATOM 953 CA GLY A 63 6.883 -3.756 -14.433 1.00 0.00 C ATOM 954 C GLY A 63 7.356 -2.305 -14.542 1.00 0.00 C ATOM 955 O GLY A 63 8.229 -1.983 -15.323 1.00 0.00 O ATOM 0 H GLY A 63 5.530 -4.096 -12.818 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.594 -4.338 -13.846 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.840 -4.211 -15.423 1.00 0.00 H new ATOM 959 N ASP A 64 6.785 -1.426 -13.764 1.00 0.00 N ATOM 960 CA ASP A 64 7.202 0.003 -13.824 1.00 0.00 C ATOM 961 C ASP A 64 8.150 0.302 -12.660 1.00 0.00 C ATOM 962 O ASP A 64 8.334 -0.502 -11.768 1.00 0.00 O ATOM 963 CB ASP A 64 5.950 0.899 -13.753 1.00 0.00 C ATOM 964 CG ASP A 64 6.266 2.241 -13.081 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.535 2.235 -11.891 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.232 3.247 -13.769 1.00 0.00 O ATOM 0 H ASP A 64 6.049 -1.636 -13.090 1.00 0.00 H new ATOM 0 HA ASP A 64 7.724 0.205 -14.759 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.567 1.074 -14.758 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.164 0.387 -13.197 1.00 0.00 H new ATOM 971 N THR A 65 8.750 1.457 -12.670 1.00 0.00 N ATOM 972 CA THR A 65 9.689 1.824 -11.572 1.00 0.00 C ATOM 973 C THR A 65 9.031 2.866 -10.665 1.00 0.00 C ATOM 974 O THR A 65 8.457 3.831 -11.127 1.00 0.00 O ATOM 975 CB THR A 65 10.972 2.405 -12.171 1.00 0.00 C ATOM 976 OG1 THR A 65 11.625 1.409 -12.945 1.00 0.00 O ATOM 977 CG2 THR A 65 11.898 2.867 -11.044 1.00 0.00 C ATOM 0 H THR A 65 8.631 2.167 -13.393 1.00 0.00 H new ATOM 0 HA THR A 65 9.931 0.936 -10.988 1.00 0.00 H new ATOM 0 HB THR A 65 10.725 3.255 -12.807 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.446 1.780 -13.331 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.812 3.281 -11.470 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.396 3.631 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.147 2.018 -10.407 1.00 0.00 H new ATOM 985 N VAL A 66 9.111 2.678 -9.376 1.00 0.00 N ATOM 986 CA VAL A 66 8.490 3.658 -8.441 1.00 0.00 C ATOM 987 C VAL A 66 9.572 4.582 -7.879 1.00 0.00 C ATOM 988 O VAL A 66 10.749 4.295 -7.959 1.00 0.00 O ATOM 989 CB VAL A 66 7.812 2.908 -7.293 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.767 1.945 -7.857 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.863 2.117 -6.511 1.00 0.00 C ATOM 0 H VAL A 66 9.579 1.889 -8.930 1.00 0.00 H new ATOM 0 HA VAL A 66 7.748 4.251 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 66 7.325 3.623 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.285 1.411 -7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.018 2.507 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.252 1.229 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.381 1.582 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.349 1.402 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.608 2.802 -6.107 1.00 0.00 H new ATOM 1001 N LEU A 67 9.182 5.689 -7.309 1.00 0.00 N ATOM 1002 CA LEU A 67 10.189 6.629 -6.742 1.00 0.00 C ATOM 1003 C LEU A 67 9.614 7.300 -5.493 1.00 0.00 C ATOM 1004 O LEU A 67 8.432 7.221 -5.222 1.00 0.00 O ATOM 1005 CB LEU A 67 10.531 7.698 -7.782 1.00 0.00 C ATOM 1006 CG LEU A 67 12.036 7.682 -8.056 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.299 8.128 -9.495 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.740 8.638 -7.090 1.00 0.00 C ATOM 0 H LEU A 67 8.210 5.983 -7.212 1.00 0.00 H new ATOM 0 HA LEU A 67 11.091 6.078 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.981 7.512 -8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.227 8.681 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 67 12.420 6.672 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.371 8.116 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.798 7.448 -10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.915 9.138 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.812 8.627 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.355 9.648 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.554 8.321 -6.064 1.00 0.00 H new ATOM 1020 N SER A 68 10.441 7.959 -4.728 1.00 0.00 N ATOM 1021 CA SER A 68 9.941 8.634 -3.497 1.00 0.00 C ATOM 1022 C SER A 68 8.925 9.712 -3.882 1.00 0.00 C ATOM 1023 O SER A 68 9.254 10.682 -4.536 1.00 0.00 O ATOM 1024 CB SER A 68 11.113 9.279 -2.758 1.00 0.00 C ATOM 1025 OG SER A 68 10.813 9.347 -1.370 1.00 0.00 O ATOM 0 H SER A 68 11.441 8.059 -4.902 1.00 0.00 H new ATOM 0 HA SER A 68 9.463 7.899 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.022 8.699 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.300 10.278 -3.151 1.00 0.00 H new ATOM 0 HG SER A 68 11.564 9.759 -0.893 1.00 0.00 H new ATOM 1031 N GLY A 69 7.694 9.549 -3.483 1.00 0.00 N ATOM 1032 CA GLY A 69 6.659 10.565 -3.826 1.00 0.00 C ATOM 1033 C GLY A 69 6.008 10.200 -5.161 1.00 0.00 C ATOM 1034 O GLY A 69 5.387 11.023 -5.806 1.00 0.00 O ATOM 0 H GLY A 69 7.360 8.757 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.904 10.610 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.112 11.554 -3.889 1.00 0.00 H new ATOM 1038 N GLU A 70 6.143 8.972 -5.582 1.00 0.00 N ATOM 1039 CA GLU A 70 5.530 8.556 -6.875 1.00 0.00 C ATOM 1040 C GLU A 70 4.058 8.204 -6.652 1.00 0.00 C ATOM 1041 O GLU A 70 3.728 7.339 -5.865 1.00 0.00 O ATOM 1042 CB GLU A 70 6.270 7.333 -7.419 1.00 0.00 C ATOM 1043 CG GLU A 70 5.768 7.018 -8.830 1.00 0.00 C ATOM 1044 CD GLU A 70 6.492 7.908 -9.841 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.573 8.374 -9.522 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.953 8.109 -10.917 1.00 0.00 O ATOM 0 H GLU A 70 6.651 8.239 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 70 5.603 9.374 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.343 7.523 -7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.109 6.476 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.943 5.968 -9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.692 7.183 -8.890 1.00 0.00 H new ATOM 1053 N LEU A 71 3.169 8.869 -7.338 1.00 0.00 N ATOM 1054 CA LEU A 71 1.719 8.572 -7.164 1.00 0.00 C ATOM 1055 C LEU A 71 1.333 7.385 -8.049 1.00 0.00 C ATOM 1056 O LEU A 71 1.451 7.434 -9.257 1.00 0.00 O ATOM 1057 CB LEU A 71 0.895 9.798 -7.567 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.535 9.644 -7.050 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.847 10.772 -6.067 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.511 9.710 -8.227 1.00 0.00 C ATOM 0 H LEU A 71 3.384 9.605 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 71 1.520 8.328 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.345 10.702 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.891 9.906 -8.652 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.637 8.684 -6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.867 10.662 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.152 10.727 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.745 11.733 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.531 9.600 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.408 10.671 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.289 8.906 -8.929 1.00 0.00 H new ATOM 1072 N LEU A 72 0.869 6.318 -7.456 1.00 0.00 N ATOM 1073 CA LEU A 72 0.475 5.129 -8.264 1.00 0.00 C ATOM 1074 C LEU A 72 -1.045 5.117 -8.445 1.00 0.00 C ATOM 1075 O LEU A 72 -1.569 4.467 -9.327 1.00 0.00 O ATOM 1076 CB LEU A 72 0.913 3.854 -7.541 1.00 0.00 C ATOM 1077 CG LEU A 72 2.327 4.040 -6.989 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.842 2.707 -6.445 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.251 4.523 -8.109 1.00 0.00 C ATOM 0 H LEU A 72 0.746 6.219 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 72 0.957 5.177 -9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.221 3.628 -6.730 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.888 3.007 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 72 2.310 4.778 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.850 2.840 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.184 2.361 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.860 1.969 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.259 4.656 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.268 3.785 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.885 5.473 -8.498 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.756 5.831 -7.616 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.241 5.860 -7.741 1.00 0.00 C ATOM 1093 C GLY A 73 -3.856 6.312 -6.417 1.00 0.00 C ATOM 1094 O GLY A 73 -3.190 6.382 -5.403 1.00 0.00 O ATOM 0 H GLY A 73 -1.373 6.395 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.536 6.539 -8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.613 4.871 -8.008 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.124 6.622 -6.415 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.780 7.069 -5.155 1.00 0.00 C ATOM 1100 C LYS A 74 -7.028 6.220 -4.900 1.00 0.00 C ATOM 1101 O LYS A 74 -7.578 5.621 -5.803 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.183 8.539 -5.284 1.00 0.00 C ATOM 1103 CG LYS A 74 -7.163 8.702 -6.447 1.00 0.00 C ATOM 1104 CD LYS A 74 -7.304 10.184 -6.794 1.00 0.00 C ATOM 1105 CE LYS A 74 -6.615 10.464 -8.132 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.160 10.689 -7.902 1.00 0.00 N ATOM 0 H LYS A 74 -5.733 6.585 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.085 6.953 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.642 8.883 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.300 9.156 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.808 8.147 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.134 8.287 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.358 10.456 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.860 10.796 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.761 9.625 -8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.059 11.339 -8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.690 10.879 -8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.031 11.503 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.742 9.842 -7.467 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.478 6.163 -3.677 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.689 5.352 -3.366 1.00 0.00 C ATOM 1122 C LEU A 75 -9.921 6.260 -3.355 1.00 0.00 C ATOM 1123 O LEU A 75 -9.830 7.442 -3.090 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.525 4.697 -1.993 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.582 3.605 -1.819 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.087 2.308 -2.462 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -9.830 3.370 -0.327 1.00 0.00 C ATOM 0 H LEU A 75 -7.060 6.643 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.814 4.579 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.527 4.270 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.627 5.445 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.510 3.918 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.840 1.530 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.908 2.474 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.160 1.995 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.583 2.592 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.902 3.057 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.182 4.293 0.133 1.00 0.00 H new ATOM 1139 N THR A 76 -11.072 5.716 -3.641 1.00 0.00 N ATOM 1140 CA THR A 76 -12.309 6.547 -3.646 1.00 0.00 C ATOM 1141 C THR A 76 -13.142 6.231 -2.403 1.00 0.00 C ATOM 1142 O THR A 76 -12.860 5.300 -1.675 1.00 0.00 O ATOM 1143 CB THR A 76 -13.127 6.236 -4.902 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.268 6.225 -6.034 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.205 7.305 -5.088 1.00 0.00 C ATOM 0 H THR A 76 -11.209 4.732 -3.871 1.00 0.00 H new ATOM 0 HA THR A 76 -12.037 7.603 -3.641 1.00 0.00 H new ATOM 0 HB THR A 76 -13.601 5.260 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.931 5.316 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.787 7.083 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.863 7.313 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.734 8.282 -5.195 1.00 0.00 H new