USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 THR OG1 : rot 180:sc= -0.0419 USER MOD Set 1.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 THR OG1 : rot -40:sc= 1.37 USER MOD Set 2.2: A 27 CYS SG : rot -72:sc= 0.236 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0.636 (180deg=0.486) USER MOD Single : A 12 SER OG : rot 180:sc= 0.304 USER MOD Single : A 15 GLN : amide:sc= -0.797 X(o=-0.8,f=-0.63) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.924 USER MOD Single : A 23 SER OG : rot 75:sc= 1.16 USER MOD Single : A 26 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 32 SER OG : rot 73:sc= 1.26 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0468) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.72) USER MOD Single : A 39 ASN : amide:sc= -0.47 K(o=-0.47,f=-6.8!) USER MOD Single : A 40 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=-0.012) USER MOD Single : A 42 ASN : amide:sc= 0.00308 K(o=0.0031,f=-0.72) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.6! K(o=-1.6!,f=0.31) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 5:sc= 0.0303 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.757 (180deg=0.697) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 17.364 -5.187 -6.555 1.00 0.00 N ATOM 2 CA ILE A 6 18.272 -5.141 -5.415 1.00 0.00 C ATOM 3 C ILE A 6 19.718 -4.968 -5.897 1.00 0.00 C ATOM 4 O ILE A 6 20.646 -4.854 -5.098 1.00 0.00 O ATOM 5 CB ILE A 6 18.055 -6.393 -4.542 1.00 0.00 C ATOM 6 CG1 ILE A 6 16.562 -6.514 -4.196 1.00 0.00 C ATOM 7 CG2 ILE A 6 18.876 -6.324 -3.248 1.00 0.00 C ATOM 8 CD1 ILE A 6 16.245 -7.748 -3.349 1.00 0.00 C ATOM 0 HA ILE A 6 18.060 -4.275 -4.788 1.00 0.00 H new ATOM 0 HB ILE A 6 18.386 -7.266 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 6 16.245 -5.620 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.983 -6.554 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.699 -7.222 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.936 -6.253 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.577 -5.447 -2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 6 15.176 -7.779 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.533 -8.647 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.800 -7.698 -2.412 1.00 0.00 H new ATOM 19 N LYS A 7 19.916 -4.946 -7.218 1.00 0.00 N ATOM 20 CA LYS A 7 21.235 -4.799 -7.821 1.00 0.00 C ATOM 21 C LYS A 7 21.676 -3.336 -7.866 1.00 0.00 C ATOM 22 O LYS A 7 22.735 -3.025 -8.410 1.00 0.00 O ATOM 23 CB LYS A 7 21.234 -5.419 -9.221 1.00 0.00 C ATOM 24 CG LYS A 7 20.919 -6.915 -9.145 1.00 0.00 C ATOM 25 CD LYS A 7 20.975 -7.524 -10.544 1.00 0.00 C ATOM 26 CE LYS A 7 20.669 -9.020 -10.467 1.00 0.00 C ATOM 27 NZ LYS A 7 20.718 -9.641 -11.804 1.00 0.00 N ATOM 0 H LYS A 7 19.160 -5.030 -7.898 1.00 0.00 H new ATOM 0 HA LYS A 7 21.958 -5.328 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 7 20.496 -4.917 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 7 22.206 -5.269 -9.692 1.00 0.00 H new ATOM 0 HG2 LYS A 7 21.634 -7.414 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.931 -7.067 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.255 -7.029 -11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.961 -7.367 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 7 21.388 -9.508 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 7 19.683 -9.171 -10.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 20.507 -10.656 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 20.015 -9.189 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.667 -9.516 -12.210 1.00 0.00 H new ATOM 41 N ARG A 8 20.863 -2.440 -7.297 1.00 0.00 N ATOM 42 CA ARG A 8 21.162 -1.012 -7.225 1.00 0.00 C ATOM 43 C ARG A 8 21.968 -0.695 -5.969 1.00 0.00 C ATOM 44 O ARG A 8 21.989 -1.479 -5.020 1.00 0.00 O ATOM 45 CB ARG A 8 19.852 -0.221 -7.246 1.00 0.00 C ATOM 46 CG ARG A 8 19.121 -0.384 -8.565 1.00 0.00 C ATOM 47 CD ARG A 8 17.780 0.348 -8.540 1.00 0.00 C ATOM 48 NE ARG A 8 16.845 -0.277 -7.599 1.00 0.00 N ATOM 49 CZ ARG A 8 15.689 0.274 -7.214 1.00 0.00 C ATOM 50 NH1 ARG A 8 15.322 1.471 -7.660 1.00 0.00 N ATOM 51 NH2 ARG A 8 14.887 -0.375 -6.377 1.00 0.00 N ATOM 0 H ARG A 8 19.971 -2.691 -6.870 1.00 0.00 H new ATOM 0 HA ARG A 8 21.765 -0.725 -8.086 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.211 -0.556 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.061 0.835 -7.074 1.00 0.00 H new ATOM 0 HG2 ARG A 8 19.736 0.004 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 8 18.958 -1.443 -8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.938 1.390 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 17.346 0.349 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 8 17.092 -1.189 -7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.925 1.982 -8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.437 1.879 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.153 -1.295 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.006 0.047 -6.085 1.00 0.00 H new ATOM 65 N LYS A 9 22.633 0.463 -5.966 1.00 0.00 N ATOM 66 CA LYS A 9 23.456 0.908 -4.846 1.00 0.00 C ATOM 67 C LYS A 9 22.704 1.820 -3.885 1.00 0.00 C ATOM 68 O LYS A 9 23.299 2.362 -2.954 1.00 0.00 O ATOM 69 CB LYS A 9 24.741 1.543 -5.355 1.00 0.00 C ATOM 70 CG LYS A 9 24.427 2.841 -6.092 1.00 0.00 C ATOM 71 CD LYS A 9 25.752 3.534 -6.366 1.00 0.00 C ATOM 72 CE LYS A 9 25.526 4.876 -7.062 1.00 0.00 C ATOM 73 NZ LYS A 9 24.727 5.790 -6.225 1.00 0.00 N ATOM 0 H LYS A 9 22.613 1.120 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 9 23.720 0.026 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.413 1.743 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 9 25.258 0.853 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 9 23.900 2.636 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.777 3.477 -5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 9 26.287 3.690 -5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.379 2.897 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.488 5.336 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.018 4.713 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.748 6.745 -6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.744 5.452 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.125 5.818 -5.264 1.00 0.00 H new ATOM 87 N ASP A 10 21.404 1.986 -4.110 1.00 0.00 N ATOM 88 CA ASP A 10 20.559 2.838 -3.292 1.00 0.00 C ATOM 89 C ASP A 10 19.245 2.150 -2.918 1.00 0.00 C ATOM 90 O ASP A 10 18.307 2.795 -2.451 1.00 0.00 O ATOM 91 CB ASP A 10 20.297 4.149 -4.031 1.00 0.00 C ATOM 92 CG ASP A 10 21.549 5.015 -4.142 1.00 0.00 C ATOM 93 OD1 ASP A 10 21.992 5.528 -3.090 1.00 0.00 O ATOM 94 OD2 ASP A 10 22.058 5.159 -5.277 1.00 0.00 O ATOM 0 H ASP A 10 20.907 1.527 -4.873 1.00 0.00 H new ATOM 0 HA ASP A 10 21.081 3.045 -2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 10 19.920 3.931 -5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.518 4.706 -3.511 1.00 0.00 H new ATOM 99 N ALA A 11 19.176 0.835 -3.128 1.00 0.00 N ATOM 100 CA ALA A 11 17.976 0.052 -2.871 1.00 0.00 C ATOM 101 C ALA A 11 18.026 -0.625 -1.502 1.00 0.00 C ATOM 102 O ALA A 11 19.082 -0.729 -0.879 1.00 0.00 O ATOM 103 CB ALA A 11 17.786 -0.980 -3.985 1.00 0.00 C ATOM 0 H ALA A 11 19.958 0.284 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 11 17.121 0.728 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.887 -1.565 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.685 -0.468 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.650 -1.643 -4.018 1.00 0.00 H new ATOM 109 N SER A 12 16.857 -1.082 -1.050 1.00 0.00 N ATOM 110 CA SER A 12 16.670 -1.758 0.225 1.00 0.00 C ATOM 111 C SER A 12 15.462 -2.684 0.095 1.00 0.00 C ATOM 112 O SER A 12 14.746 -2.597 -0.904 1.00 0.00 O ATOM 113 CB SER A 12 16.460 -0.693 1.308 1.00 0.00 C ATOM 114 OG SER A 12 15.149 -0.178 1.251 1.00 0.00 O ATOM 0 H SER A 12 15.991 -0.987 -1.581 1.00 0.00 H new ATOM 0 HA SER A 12 17.537 -2.358 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.644 -1.126 2.291 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.180 0.115 1.175 1.00 0.00 H new ATOM 0 HG SER A 12 15.033 0.499 1.950 1.00 0.00 H new ATOM 120 N PRO A 13 15.192 -3.572 1.059 1.00 0.00 N ATOM 121 CA PRO A 13 14.059 -4.482 0.986 1.00 0.00 C ATOM 122 C PRO A 13 12.766 -3.694 1.082 1.00 0.00 C ATOM 123 O PRO A 13 11.733 -4.104 0.554 1.00 0.00 O ATOM 124 CB PRO A 13 14.195 -5.367 2.221 1.00 0.00 C ATOM 125 CG PRO A 13 14.889 -4.435 3.214 1.00 0.00 C ATOM 126 CD PRO A 13 15.910 -3.758 2.304 1.00 0.00 C ATOM 0 HA PRO A 13 14.043 -5.051 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.226 -5.704 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.787 -6.259 2.019 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.198 -3.721 3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.361 -4.980 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.247 -2.807 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 13 16.796 -4.377 2.166 1.00 0.00 H new ATOM 134 N GLU A 14 12.836 -2.553 1.765 1.00 0.00 N ATOM 135 CA GLU A 14 11.704 -1.671 1.930 1.00 0.00 C ATOM 136 C GLU A 14 11.461 -0.931 0.619 1.00 0.00 C ATOM 137 O GLU A 14 10.314 -0.758 0.214 1.00 0.00 O ATOM 138 CB GLU A 14 12.012 -0.699 3.066 1.00 0.00 C ATOM 139 CG GLU A 14 12.150 -1.412 4.411 1.00 0.00 C ATOM 140 CD GLU A 14 12.520 -0.432 5.522 1.00 0.00 C ATOM 141 OE1 GLU A 14 11.724 0.505 5.764 1.00 0.00 O ATOM 142 OE2 GLU A 14 13.598 -0.626 6.126 1.00 0.00 O ATOM 0 H GLU A 14 13.688 -2.221 2.218 1.00 0.00 H new ATOM 0 HA GLU A 14 10.802 -2.229 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.935 -0.163 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.219 0.046 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.213 -1.910 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.913 -2.187 4.338 1.00 0.00 H new ATOM 149 N GLN A 15 12.533 -0.494 -0.049 1.00 0.00 N ATOM 150 CA GLN A 15 12.441 0.234 -1.300 1.00 0.00 C ATOM 151 C GLN A 15 11.791 -0.608 -2.396 1.00 0.00 C ATOM 152 O GLN A 15 11.158 -0.065 -3.298 1.00 0.00 O ATOM 153 CB GLN A 15 13.855 0.651 -1.712 1.00 0.00 C ATOM 154 CG GLN A 15 13.826 1.902 -2.591 1.00 0.00 C ATOM 155 CD GLN A 15 13.180 3.060 -1.839 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.315 3.754 -2.365 1.00 0.00 O ATOM 157 NE2 GLN A 15 13.602 3.270 -0.597 1.00 0.00 N ATOM 0 H GLN A 15 13.490 -0.641 0.272 1.00 0.00 H new ATOM 0 HA GLN A 15 11.810 1.112 -1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.455 0.842 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.336 -0.165 -2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.840 2.171 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.271 1.699 -3.507 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.323 2.671 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.205 4.030 -0.045 1.00 0.00 H new ATOM 166 N GLU A 16 11.933 -1.936 -2.332 1.00 0.00 N ATOM 167 CA GLU A 16 11.367 -2.810 -3.353 1.00 0.00 C ATOM 168 C GLU A 16 9.848 -2.882 -3.228 1.00 0.00 C ATOM 169 O GLU A 16 9.159 -3.149 -4.212 1.00 0.00 O ATOM 170 CB GLU A 16 11.963 -4.207 -3.206 1.00 0.00 C ATOM 171 CG GLU A 16 13.442 -4.212 -3.592 1.00 0.00 C ATOM 172 CD GLU A 16 13.621 -4.030 -5.097 1.00 0.00 C ATOM 173 OE1 GLU A 16 13.598 -5.059 -5.807 1.00 0.00 O ATOM 174 OE2 GLU A 16 13.779 -2.867 -5.530 1.00 0.00 O ATOM 0 H GLU A 16 12.432 -2.422 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 16 11.609 -2.404 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.850 -4.548 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.416 -4.908 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.961 -3.413 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.899 -5.151 -3.280 1.00 0.00 H new ATOM 181 N ALA A 17 9.328 -2.643 -2.021 1.00 0.00 N ATOM 182 CA ALA A 17 7.891 -2.615 -1.788 1.00 0.00 C ATOM 183 C ALA A 17 7.345 -1.189 -1.805 1.00 0.00 C ATOM 184 O ALA A 17 6.170 -0.986 -2.102 1.00 0.00 O ATOM 185 CB ALA A 17 7.601 -3.303 -0.457 1.00 0.00 C ATOM 0 H ALA A 17 9.890 -2.466 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 17 7.386 -3.148 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.528 -3.291 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 17 7.951 -4.335 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.117 -2.776 0.345 1.00 0.00 H new ATOM 191 N ILE A 18 8.185 -0.197 -1.490 1.00 0.00 N ATOM 192 CA ILE A 18 7.766 1.195 -1.413 1.00 0.00 C ATOM 193 C ILE A 18 7.677 1.831 -2.801 1.00 0.00 C ATOM 194 O ILE A 18 6.839 2.705 -3.021 1.00 0.00 O ATOM 195 CB ILE A 18 8.732 1.953 -0.491 1.00 0.00 C ATOM 196 CG1 ILE A 18 8.472 1.532 0.961 1.00 0.00 C ATOM 197 CG2 ILE A 18 8.564 3.470 -0.632 1.00 0.00 C ATOM 198 CD1 ILE A 18 9.598 1.976 1.898 1.00 0.00 C ATOM 0 H ILE A 18 9.173 -0.343 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 18 6.762 1.250 -0.992 1.00 0.00 H new ATOM 0 HB ILE A 18 9.754 1.704 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.529 1.961 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 18 8.365 0.448 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.262 3.977 0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.766 3.764 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.544 3.749 -0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.372 1.657 2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.537 1.526 1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.688 3.062 1.870 1.00 0.00 H new ATOM 210 N GLU A 19 8.519 1.416 -3.751 1.00 0.00 N ATOM 211 CA GLU A 19 8.467 1.995 -5.085 1.00 0.00 C ATOM 212 C GLU A 19 7.173 1.596 -5.791 1.00 0.00 C ATOM 213 O GLU A 19 6.600 2.412 -6.510 1.00 0.00 O ATOM 214 CB GLU A 19 9.681 1.548 -5.902 1.00 0.00 C ATOM 215 CG GLU A 19 10.943 2.284 -5.449 1.00 0.00 C ATOM 216 CD GLU A 19 12.170 1.795 -6.215 1.00 0.00 C ATOM 217 OE1 GLU A 19 12.310 0.564 -6.372 1.00 0.00 O ATOM 218 OE2 GLU A 19 12.971 2.656 -6.648 1.00 0.00 O ATOM 0 H GLU A 19 9.229 0.696 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 19 8.488 3.081 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.823 0.473 -5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.503 1.740 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.818 3.356 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.093 2.131 -4.380 1.00 0.00 H new ATOM 225 N SER A 20 6.703 0.361 -5.590 1.00 0.00 N ATOM 226 CA SER A 20 5.487 -0.126 -6.216 1.00 0.00 C ATOM 227 C SER A 20 4.247 0.421 -5.516 1.00 0.00 C ATOM 228 O SER A 20 3.175 0.465 -6.116 1.00 0.00 O ATOM 229 CB SER A 20 5.501 -1.647 -6.137 1.00 0.00 C ATOM 230 OG SER A 20 6.593 -2.155 -6.876 1.00 0.00 O ATOM 0 H SER A 20 7.161 -0.323 -4.987 1.00 0.00 H new ATOM 0 HA SER A 20 5.450 0.209 -7.253 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.574 -1.966 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.567 -2.049 -6.529 1.00 0.00 H new ATOM 0 HG SER A 20 6.599 -3.133 -6.821 1.00 0.00 H new ATOM 236 N PHE A 21 4.380 0.839 -4.255 1.00 0.00 N ATOM 237 CA PHE A 21 3.273 1.429 -3.519 1.00 0.00 C ATOM 238 C PHE A 21 3.018 2.841 -4.033 1.00 0.00 C ATOM 239 O PHE A 21 1.882 3.213 -4.311 1.00 0.00 O ATOM 240 CB PHE A 21 3.639 1.464 -2.039 1.00 0.00 C ATOM 241 CG PHE A 21 2.496 1.805 -1.103 1.00 0.00 C ATOM 242 CD1 PHE A 21 2.010 3.117 -1.029 1.00 0.00 C ATOM 243 CD2 PHE A 21 1.917 0.809 -0.301 1.00 0.00 C ATOM 244 CE1 PHE A 21 0.924 3.424 -0.195 1.00 0.00 C ATOM 245 CE2 PHE A 21 0.832 1.113 0.532 1.00 0.00 C ATOM 246 CZ PHE A 21 0.331 2.421 0.579 1.00 0.00 C ATOM 0 H PHE A 21 5.250 0.777 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 21 2.367 0.838 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.042 0.491 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.436 2.193 -1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.473 3.896 -1.617 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.310 -0.197 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.546 4.435 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.382 0.340 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.512 2.654 1.212 1.00 0.00 H new ATOM 256 N THR A 22 4.093 3.625 -4.162 1.00 0.00 N ATOM 257 CA THR A 22 4.039 4.995 -4.662 1.00 0.00 C ATOM 258 C THR A 22 3.784 5.018 -6.167 1.00 0.00 C ATOM 259 O THR A 22 3.587 6.081 -6.753 1.00 0.00 O ATOM 260 CB THR A 22 5.360 5.714 -4.380 1.00 0.00 C ATOM 261 OG1 THR A 22 5.937 5.269 -3.168 1.00 0.00 O ATOM 262 CG2 THR A 22 5.159 7.220 -4.245 1.00 0.00 C ATOM 0 H THR A 22 5.035 3.319 -3.918 1.00 0.00 H new ATOM 0 HA THR A 22 3.221 5.501 -4.150 1.00 0.00 H new ATOM 0 HB THR A 22 6.011 5.489 -5.225 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.355 4.393 -3.307 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.118 7.699 -4.045 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.742 7.616 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.473 7.423 -3.422 1.00 0.00 H new ATOM 270 N SER A 23 3.791 3.845 -6.808 1.00 0.00 N ATOM 271 CA SER A 23 3.497 3.750 -8.229 1.00 0.00 C ATOM 272 C SER A 23 2.005 3.532 -8.462 1.00 0.00 C ATOM 273 O SER A 23 1.507 3.752 -9.563 1.00 0.00 O ATOM 274 CB SER A 23 4.263 2.585 -8.840 1.00 0.00 C ATOM 275 OG SER A 23 5.648 2.853 -8.863 1.00 0.00 O ATOM 0 H SER A 23 3.998 2.952 -6.360 1.00 0.00 H new ATOM 0 HA SER A 23 3.800 4.686 -8.699 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.073 1.678 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.907 2.401 -9.854 1.00 0.00 H new ATOM 0 HG SER A 23 6.012 2.769 -7.957 1.00 0.00 H new ATOM 281 N LEU A 24 1.297 3.094 -7.418 1.00 0.00 N ATOM 282 CA LEU A 24 -0.124 2.791 -7.480 1.00 0.00 C ATOM 283 C LEU A 24 -0.922 3.710 -6.564 1.00 0.00 C ATOM 284 O LEU A 24 -2.151 3.720 -6.608 1.00 0.00 O ATOM 285 CB LEU A 24 -0.324 1.330 -7.091 1.00 0.00 C ATOM 286 CG LEU A 24 0.259 0.368 -8.134 1.00 0.00 C ATOM 287 CD1 LEU A 24 0.127 -1.065 -7.631 1.00 0.00 C ATOM 288 CD2 LEU A 24 -0.479 0.473 -9.472 1.00 0.00 C ATOM 0 H LEU A 24 1.706 2.940 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.487 2.956 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.147 1.145 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.389 1.130 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 24 1.304 0.637 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.541 -1.750 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.671 -1.173 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.925 -1.298 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.039 -0.223 -10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.531 0.227 -9.328 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.393 1.490 -9.856 1.00 0.00 H new ATOM 300 N THR A 25 -0.218 4.481 -5.736 1.00 0.00 N ATOM 301 CA THR A 25 -0.807 5.524 -4.913 1.00 0.00 C ATOM 302 C THR A 25 0.055 6.770 -5.073 1.00 0.00 C ATOM 303 O THR A 25 1.219 6.665 -5.456 1.00 0.00 O ATOM 304 CB THR A 25 -0.879 5.103 -3.444 1.00 0.00 C ATOM 305 OG1 THR A 25 0.420 4.978 -2.923 1.00 0.00 O ATOM 306 CG2 THR A 25 -1.621 3.777 -3.277 1.00 0.00 C ATOM 0 H THR A 25 0.792 4.393 -5.620 1.00 0.00 H new ATOM 0 HA THR A 25 -1.831 5.718 -5.233 1.00 0.00 H new ATOM 0 HB THR A 25 -1.428 5.873 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.003 4.566 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.653 3.509 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.638 3.879 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.102 2.997 -3.834 1.00 0.00 H new ATOM 314 N LYS A 26 -0.493 7.953 -4.788 1.00 0.00 N ATOM 315 CA LYS A 26 0.220 9.204 -5.019 1.00 0.00 C ATOM 316 C LYS A 26 0.594 9.893 -3.709 1.00 0.00 C ATOM 317 O LYS A 26 0.749 11.110 -3.669 1.00 0.00 O ATOM 318 CB LYS A 26 -0.563 10.100 -5.983 1.00 0.00 C ATOM 319 CG LYS A 26 -0.789 9.404 -7.334 1.00 0.00 C ATOM 320 CD LYS A 26 0.517 8.969 -8.015 1.00 0.00 C ATOM 321 CE LYS A 26 1.439 10.166 -8.245 1.00 0.00 C ATOM 322 NZ LYS A 26 2.684 9.757 -8.922 1.00 0.00 N ATOM 0 H LYS A 26 -1.428 8.068 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 26 1.169 8.980 -5.505 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.524 10.361 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.020 11.032 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.422 8.529 -7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.330 10.079 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.024 8.228 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.292 8.490 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.924 10.915 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.678 10.633 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.291 10.589 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.185 9.060 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.455 9.333 -9.844 1.00 0.00 H new ATOM 336 N CYS A 27 0.739 9.109 -2.638 1.00 0.00 N ATOM 337 CA CYS A 27 1.211 9.611 -1.358 1.00 0.00 C ATOM 338 C CYS A 27 2.738 9.681 -1.370 1.00 0.00 C ATOM 339 O CYS A 27 3.376 9.390 -2.381 1.00 0.00 O ATOM 340 CB CYS A 27 0.705 8.695 -0.241 1.00 0.00 C ATOM 341 SG CYS A 27 1.456 7.057 -0.413 1.00 0.00 S ATOM 0 H CYS A 27 0.531 8.110 -2.640 1.00 0.00 H new ATOM 0 HA CYS A 27 0.827 10.615 -1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.953 9.120 0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.381 8.615 -0.286 1.00 0.00 H new ATOM 0 HG CYS A 27 0.934 6.445 -1.434 1.00 0.00 H new ATOM 347 N ASP A 28 3.337 10.063 -0.244 1.00 0.00 N ATOM 348 CA ASP A 28 4.786 10.101 -0.111 1.00 0.00 C ATOM 349 C ASP A 28 5.303 8.687 0.156 1.00 0.00 C ATOM 350 O ASP A 28 4.587 7.882 0.750 1.00 0.00 O ATOM 351 CB ASP A 28 5.144 11.073 1.010 1.00 0.00 C ATOM 352 CG ASP A 28 6.626 11.421 1.019 1.00 0.00 C ATOM 353 OD1 ASP A 28 7.011 12.325 0.242 1.00 0.00 O ATOM 354 OD2 ASP A 28 7.358 10.777 1.801 1.00 0.00 O ATOM 0 H ASP A 28 2.833 10.352 0.594 1.00 0.00 H new ATOM 0 HA ASP A 28 5.260 10.453 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.559 11.986 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.870 10.635 1.970 1.00 0.00 H new ATOM 359 N PRO A 29 6.533 8.350 -0.263 1.00 0.00 N ATOM 360 CA PRO A 29 7.092 7.023 -0.079 1.00 0.00 C ATOM 361 C PRO A 29 7.145 6.638 1.388 1.00 0.00 C ATOM 362 O PRO A 29 7.085 5.461 1.741 1.00 0.00 O ATOM 363 CB PRO A 29 8.518 7.125 -0.613 1.00 0.00 C ATOM 364 CG PRO A 29 8.410 8.218 -1.675 1.00 0.00 C ATOM 365 CD PRO A 29 7.478 9.192 -0.960 1.00 0.00 C ATOM 0 HA PRO A 29 6.488 6.271 -0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.225 7.394 0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.858 6.181 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.376 8.664 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.989 7.850 -2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.027 9.829 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 29 6.975 9.851 -1.668 1.00 0.00 H new ATOM 373 N LYS A 30 7.263 7.651 2.248 1.00 0.00 N ATOM 374 CA LYS A 30 7.382 7.457 3.671 1.00 0.00 C ATOM 375 C LYS A 30 6.065 6.992 4.294 1.00 0.00 C ATOM 376 O LYS A 30 6.066 6.457 5.402 1.00 0.00 O ATOM 377 CB LYS A 30 7.856 8.771 4.254 1.00 0.00 C ATOM 378 CG LYS A 30 9.300 8.976 3.813 1.00 0.00 C ATOM 379 CD LYS A 30 9.815 10.198 4.546 1.00 0.00 C ATOM 380 CE LYS A 30 11.284 10.446 4.215 1.00 0.00 C ATOM 381 NZ LYS A 30 11.794 11.633 4.928 1.00 0.00 N ATOM 0 H LYS A 30 7.277 8.630 1.963 1.00 0.00 H new ATOM 0 HA LYS A 30 8.097 6.665 3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.229 9.592 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.786 8.755 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.904 8.100 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.357 9.120 2.734 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.223 11.070 4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.697 10.060 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.875 9.572 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.400 10.585 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.795 11.780 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.243 12.470 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.704 11.487 5.954 1.00 0.00 H new ATOM 395 N VAL A 31 4.946 7.187 3.591 1.00 0.00 N ATOM 396 CA VAL A 31 3.648 6.693 4.038 1.00 0.00 C ATOM 397 C VAL A 31 3.519 5.211 3.701 1.00 0.00 C ATOM 398 O VAL A 31 2.821 4.480 4.397 1.00 0.00 O ATOM 399 CB VAL A 31 2.535 7.517 3.376 1.00 0.00 C ATOM 400 CG1 VAL A 31 1.154 7.008 3.782 1.00 0.00 C ATOM 401 CG2 VAL A 31 2.650 8.981 3.804 1.00 0.00 C ATOM 0 H VAL A 31 4.917 7.688 2.703 1.00 0.00 H new ATOM 0 HA VAL A 31 3.558 6.801 5.119 1.00 0.00 H new ATOM 0 HB VAL A 31 2.650 7.421 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.387 7.612 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.045 5.968 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.043 7.081 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.858 9.562 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.555 9.052 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.620 9.374 3.499 1.00 0.00 H new ATOM 411 N SER A 32 4.190 4.749 2.639 1.00 0.00 N ATOM 412 CA SER A 32 4.164 3.338 2.279 1.00 0.00 C ATOM 413 C SER A 32 4.945 2.522 3.294 1.00 0.00 C ATOM 414 O SER A 32 4.532 1.427 3.666 1.00 0.00 O ATOM 415 CB SER A 32 4.785 3.152 0.900 1.00 0.00 C ATOM 416 OG SER A 32 4.854 1.779 0.598 1.00 0.00 O ATOM 0 H SER A 32 4.753 5.333 2.021 1.00 0.00 H new ATOM 0 HA SER A 32 3.129 2.997 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.190 3.671 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.782 3.591 0.876 1.00 0.00 H new ATOM 0 HG SER A 32 3.955 1.442 0.400 1.00 0.00 H new ATOM 422 N ARG A 33 6.077 3.066 3.745 1.00 0.00 N ATOM 423 CA ARG A 33 6.892 2.442 4.780 1.00 0.00 C ATOM 424 C ARG A 33 6.039 2.137 6.012 1.00 0.00 C ATOM 425 O ARG A 33 6.266 1.142 6.695 1.00 0.00 O ATOM 426 CB ARG A 33 8.021 3.412 5.139 1.00 0.00 C ATOM 427 CG ARG A 33 8.897 2.891 6.282 1.00 0.00 C ATOM 428 CD ARG A 33 9.995 3.900 6.608 1.00 0.00 C ATOM 429 NE ARG A 33 9.429 5.169 7.087 1.00 0.00 N ATOM 430 CZ ARG A 33 10.155 6.252 7.378 1.00 0.00 C ATOM 431 NH1 ARG A 33 11.478 6.245 7.236 1.00 0.00 N ATOM 432 NH2 ARG A 33 9.552 7.355 7.817 1.00 0.00 N ATOM 0 H ARG A 33 6.451 3.950 3.401 1.00 0.00 H new ATOM 0 HA ARG A 33 7.306 1.501 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.641 3.585 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 33 7.594 4.374 5.422 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.285 2.711 7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.342 1.936 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.659 3.486 7.367 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.600 4.082 5.720 1.00 0.00 H new ATOM 0 HE ARG A 33 8.417 5.226 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.951 5.405 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.020 7.079 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.538 7.371 7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.104 8.183 8.040 1.00 0.00 H new ATOM 446 N LYS A 34 5.057 3.003 6.282 1.00 0.00 N ATOM 447 CA LYS A 34 4.156 2.887 7.423 1.00 0.00 C ATOM 448 C LYS A 34 2.958 2.002 7.081 1.00 0.00 C ATOM 449 O LYS A 34 2.416 1.337 7.963 1.00 0.00 O ATOM 450 CB LYS A 34 3.735 4.313 7.794 1.00 0.00 C ATOM 451 CG LYS A 34 2.489 4.369 8.672 1.00 0.00 C ATOM 452 CD LYS A 34 2.160 5.835 8.964 1.00 0.00 C ATOM 453 CE LYS A 34 0.768 5.972 9.576 1.00 0.00 C ATOM 454 NZ LYS A 34 0.669 5.268 10.870 1.00 0.00 N ATOM 0 H LYS A 34 4.866 3.818 5.700 1.00 0.00 H new ATOM 0 HA LYS A 34 4.645 2.409 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.558 4.803 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.552 4.879 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.651 3.886 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.658 3.827 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.903 6.249 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.215 6.414 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.535 7.027 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.026 5.571 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.262 5.453 11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.783 4.245 10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.416 5.609 11.509 1.00 0.00 H new ATOM 468 N TYR A 35 2.541 1.986 5.814 1.00 0.00 N ATOM 469 CA TYR A 35 1.453 1.135 5.344 1.00 0.00 C ATOM 470 C TYR A 35 1.967 -0.224 4.879 1.00 0.00 C ATOM 471 O TYR A 35 1.254 -0.930 4.175 1.00 0.00 O ATOM 472 CB TYR A 35 0.643 1.840 4.253 1.00 0.00 C ATOM 473 CG TYR A 35 -0.561 2.591 4.776 1.00 0.00 C ATOM 474 CD1 TYR A 35 -1.774 1.911 4.961 1.00 0.00 C ATOM 475 CD2 TYR A 35 -0.465 3.959 5.062 1.00 0.00 C ATOM 476 CE1 TYR A 35 -2.899 2.608 5.421 1.00 0.00 C ATOM 477 CE2 TYR A 35 -1.589 4.665 5.512 1.00 0.00 C ATOM 478 CZ TYR A 35 -2.813 3.990 5.698 1.00 0.00 C ATOM 479 OH TYR A 35 -3.909 4.664 6.142 1.00 0.00 O ATOM 0 H TYR A 35 2.952 2.567 5.083 1.00 0.00 H new ATOM 0 HA TYR A 35 0.784 0.950 6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.293 2.537 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.310 1.100 3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.840 0.854 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.478 4.471 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.834 2.087 5.564 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.518 5.723 5.716 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.678 5.606 6.285 1.00 0.00 H new ATOM 489 N LEU A 36 3.189 -0.601 5.263 1.00 0.00 N ATOM 490 CA LEU A 36 3.737 -1.932 5.018 1.00 0.00 C ATOM 491 C LEU A 36 4.236 -2.544 6.327 1.00 0.00 C ATOM 492 O LEU A 36 4.336 -3.762 6.448 1.00 0.00 O ATOM 493 CB LEU A 36 4.889 -1.815 4.013 1.00 0.00 C ATOM 494 CG LEU A 36 4.409 -1.559 2.583 1.00 0.00 C ATOM 495 CD1 LEU A 36 5.583 -1.112 1.717 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.839 -2.842 1.984 1.00 0.00 C ATOM 0 H LEU A 36 3.831 0.018 5.758 1.00 0.00 H new ATOM 0 HA LEU A 36 2.961 -2.581 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.550 -1.005 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.478 -2.732 4.034 1.00 0.00 H new ATOM 0 HG LEU A 36 3.641 -0.786 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.236 -0.931 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.007 -0.194 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.345 -1.891 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.500 -2.649 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.611 -3.611 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.998 -3.183 2.588 1.00 0.00 H new ATOM 508 N GLN A 37 4.546 -1.692 7.312 1.00 0.00 N ATOM 509 CA GLN A 37 4.915 -2.091 8.662 1.00 0.00 C ATOM 510 C GLN A 37 3.689 -2.587 9.433 1.00 0.00 C ATOM 511 O GLN A 37 3.751 -2.779 10.644 1.00 0.00 O ATOM 512 CB GLN A 37 5.583 -0.894 9.340 1.00 0.00 C ATOM 513 CG GLN A 37 7.089 -1.119 9.339 1.00 0.00 C ATOM 514 CD GLN A 37 7.876 0.181 9.351 1.00 0.00 C ATOM 515 OE1 GLN A 37 7.363 1.252 9.661 1.00 0.00 O ATOM 516 NE2 GLN A 37 9.152 0.077 9.002 1.00 0.00 N ATOM 0 H GLN A 37 4.545 -0.680 7.181 1.00 0.00 H new ATOM 0 HA GLN A 37 5.617 -2.924 8.640 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.337 0.027 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.217 -0.783 10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.364 -1.714 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.365 -1.698 8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.540 -0.833 8.751 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.745 0.907 8.985 1.00 0.00 H new ATOM 525 N ARG A 38 2.576 -2.790 8.719 1.00 0.00 N ATOM 526 CA ARG A 38 1.299 -3.199 9.283 1.00 0.00 C ATOM 527 C ARG A 38 0.665 -4.370 8.529 1.00 0.00 C ATOM 528 O ARG A 38 -0.519 -4.646 8.713 1.00 0.00 O ATOM 529 CB ARG A 38 0.376 -1.978 9.365 1.00 0.00 C ATOM 530 CG ARG A 38 0.149 -1.296 8.014 1.00 0.00 C ATOM 531 CD ARG A 38 -0.740 -0.064 8.186 1.00 0.00 C ATOM 532 NE ARG A 38 -2.064 -0.426 8.699 1.00 0.00 N ATOM 533 CZ ARG A 38 -2.433 -0.363 9.983 1.00 0.00 C ATOM 534 NH1 ARG A 38 -1.614 0.118 10.917 1.00 0.00 N ATOM 535 NH2 ARG A 38 -3.639 -0.789 10.340 1.00 0.00 N ATOM 0 H ARG A 38 2.545 -2.669 7.707 1.00 0.00 H new ATOM 0 HA ARG A 38 1.468 -3.580 10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.586 -2.286 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.802 -1.256 10.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.106 -1.005 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.317 -1.995 7.319 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.263 0.638 8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.846 0.446 7.229 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.757 -0.751 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.684 0.448 10.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.917 0.156 11.890 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.277 -1.161 9.637 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.927 -0.744 11.317 1.00 0.00 H new ATOM 549 N ASN A 39 1.437 -5.058 7.681 1.00 0.00 N ATOM 550 CA ASN A 39 0.922 -6.151 6.859 1.00 0.00 C ATOM 551 C ASN A 39 2.041 -7.076 6.377 1.00 0.00 C ATOM 552 O ASN A 39 1.931 -7.677 5.309 1.00 0.00 O ATOM 553 CB ASN A 39 0.174 -5.558 5.667 1.00 0.00 C ATOM 554 CG ASN A 39 0.994 -4.472 5.018 1.00 0.00 C ATOM 555 OD1 ASN A 39 2.014 -4.727 4.386 1.00 0.00 O ATOM 556 ND2 ASN A 39 0.528 -3.242 5.197 1.00 0.00 N ATOM 0 H ASN A 39 2.431 -4.872 7.548 1.00 0.00 H new ATOM 0 HA ASN A 39 0.247 -6.755 7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.044 -6.341 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.783 -5.153 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.025 -2.445 4.798 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.327 -3.094 5.733 1.00 0.00 H new ATOM 563 N HIS A 40 3.119 -7.196 7.156 1.00 0.00 N ATOM 564 CA HIS A 40 4.244 -8.056 6.813 1.00 0.00 C ATOM 565 C HIS A 40 4.877 -7.676 5.471 1.00 0.00 C ATOM 566 O HIS A 40 5.427 -8.531 4.775 1.00 0.00 O ATOM 567 CB HIS A 40 3.810 -9.523 6.880 1.00 0.00 C ATOM 568 CG HIS A 40 2.890 -9.796 8.041 1.00 0.00 C ATOM 569 ND1 HIS A 40 3.193 -9.577 9.389 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.615 -10.275 7.937 1.00 0.00 C ATOM 571 CE1 HIS A 40 2.079 -9.915 10.057 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.121 -10.344 9.217 1.00 0.00 N ATOM 0 H HIS A 40 3.232 -6.699 8.040 1.00 0.00 H new ATOM 0 HA HIS A 40 5.035 -7.909 7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.309 -9.794 5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.693 -10.157 6.962 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.098 -10.546 7.028 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.967 -9.851 11.129 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.190 -10.665 9.483 1.00 0.00 H new ATOM 580 N TRP A 41 4.794 -6.391 5.111 1.00 0.00 N ATOM 581 CA TRP A 41 5.395 -5.841 3.903 1.00 0.00 C ATOM 582 C TRP A 41 4.911 -6.494 2.607 1.00 0.00 C ATOM 583 O TRP A 41 5.696 -6.683 1.676 1.00 0.00 O ATOM 584 CB TRP A 41 6.915 -5.777 4.054 1.00 0.00 C ATOM 585 CG TRP A 41 7.362 -4.764 5.050 1.00 0.00 C ATOM 586 CD1 TRP A 41 7.368 -4.887 6.391 1.00 0.00 C ATOM 587 CD2 TRP A 41 7.864 -3.432 4.777 1.00 0.00 C ATOM 588 NE1 TRP A 41 7.805 -3.710 6.965 1.00 0.00 N ATOM 589 CE2 TRP A 41 8.090 -2.754 6.007 1.00 0.00 C ATOM 590 CE3 TRP A 41 8.116 -2.732 3.588 1.00 0.00 C ATOM 591 CZ2 TRP A 41 8.507 -1.416 6.049 1.00 0.00 C ATOM 592 CZ3 TRP A 41 8.566 -1.407 3.617 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.757 -0.750 4.843 1.00 0.00 C ATOM 0 H TRP A 41 4.296 -5.695 5.666 1.00 0.00 H new ATOM 0 HA TRP A 41 5.038 -4.817 3.795 1.00 0.00 H new ATOM 0 HB2 TRP A 41 7.286 -6.758 4.351 1.00 0.00 H new ATOM 0 HB3 TRP A 41 7.361 -5.547 3.086 1.00 0.00 H new ATOM 0 HD1 TRP A 41 7.075 -5.773 6.935 1.00 0.00 H new ATOM 0 HE1 TRP A 41 7.905 -3.564 7.969 1.00 0.00 H new ATOM 0 HE3 TRP A 41 7.961 -3.222 2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.633 -0.909 6.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.767 -0.887 2.692 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.099 0.274 4.856 1.00 0.00 H new ATOM 604 N ASN A 42 3.623 -6.839 2.540 1.00 0.00 N ATOM 605 CA ASN A 42 3.000 -7.306 1.313 1.00 0.00 C ATOM 606 C ASN A 42 2.246 -6.157 0.653 1.00 0.00 C ATOM 607 O ASN A 42 1.350 -5.575 1.262 1.00 0.00 O ATOM 608 CB ASN A 42 2.031 -8.450 1.618 1.00 0.00 C ATOM 609 CG ASN A 42 2.719 -9.803 1.661 1.00 0.00 C ATOM 610 OD1 ASN A 42 3.938 -9.899 1.776 1.00 0.00 O ATOM 611 ND2 ASN A 42 1.930 -10.866 1.569 1.00 0.00 N ATOM 0 H ASN A 42 2.988 -6.800 3.338 1.00 0.00 H new ATOM 0 HA ASN A 42 3.774 -7.668 0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.544 -8.263 2.575 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.247 -8.469 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.332 -11.803 1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.922 -10.746 1.475 1.00 0.00 H new ATOM 618 N ILE A 43 2.593 -5.825 -0.590 1.00 0.00 N ATOM 619 CA ILE A 43 1.898 -4.769 -1.319 1.00 0.00 C ATOM 620 C ILE A 43 0.495 -5.230 -1.712 1.00 0.00 C ATOM 621 O ILE A 43 -0.347 -4.411 -2.074 1.00 0.00 O ATOM 622 CB ILE A 43 2.765 -4.317 -2.506 1.00 0.00 C ATOM 623 CG1 ILE A 43 3.761 -3.257 -2.008 1.00 0.00 C ATOM 624 CG2 ILE A 43 1.939 -3.736 -3.658 1.00 0.00 C ATOM 625 CD1 ILE A 43 3.084 -1.932 -1.709 1.00 0.00 C ATOM 0 H ILE A 43 3.349 -6.271 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 43 1.752 -3.894 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 43 3.281 -5.195 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.257 -3.621 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.535 -3.106 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.604 -3.434 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.243 -4.491 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.381 -2.869 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.827 -1.214 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.610 -1.553 -2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.328 -2.076 -0.937 1.00 0.00 H new ATOM 637 N ASN A 44 0.227 -6.539 -1.646 1.00 0.00 N ATOM 638 CA ASN A 44 -1.092 -7.062 -1.986 1.00 0.00 C ATOM 639 C ASN A 44 -2.002 -7.064 -0.759 1.00 0.00 C ATOM 640 O ASN A 44 -3.160 -7.472 -0.838 1.00 0.00 O ATOM 641 CB ASN A 44 -0.939 -8.470 -2.566 1.00 0.00 C ATOM 642 CG ASN A 44 -0.112 -8.472 -3.844 1.00 0.00 C ATOM 643 OD1 ASN A 44 -0.083 -7.490 -4.580 1.00 0.00 O ATOM 644 ND2 ASN A 44 0.570 -9.580 -4.116 1.00 0.00 N ATOM 0 H ASN A 44 0.903 -7.248 -1.362 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.557 -6.421 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.467 -9.117 -1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.925 -8.887 -2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.141 -9.633 -4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.522 -10.377 -3.481 1.00 0.00 H new ATOM 651 N TYR A 45 -1.469 -6.606 0.376 1.00 0.00 N ATOM 652 CA TYR A 45 -2.156 -6.546 1.653 1.00 0.00 C ATOM 653 C TYR A 45 -1.910 -5.190 2.318 1.00 0.00 C ATOM 654 O TYR A 45 -2.172 -5.017 3.507 1.00 0.00 O ATOM 655 CB TYR A 45 -1.647 -7.708 2.501 1.00 0.00 C ATOM 656 CG TYR A 45 -2.271 -9.034 2.126 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.482 -9.423 2.710 1.00 0.00 C ATOM 658 CD2 TYR A 45 -1.640 -9.870 1.192 1.00 0.00 C ATOM 659 CE1 TYR A 45 -4.072 -10.647 2.365 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.220 -11.101 0.844 1.00 0.00 C ATOM 661 CZ TYR A 45 -3.441 -11.492 1.431 1.00 0.00 C ATOM 662 OH TYR A 45 -4.009 -12.687 1.099 1.00 0.00 O ATOM 0 H TYR A 45 -0.512 -6.256 0.425 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.235 -6.639 1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.564 -7.780 2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.852 -7.501 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.964 -8.778 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.707 -9.566 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.009 -10.942 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.732 -11.746 0.129 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.446 -13.145 0.441 1.00 0.00 H new ATOM 672 N ALA A 46 -1.402 -4.229 1.542 1.00 0.00 N ATOM 673 CA ALA A 46 -1.069 -2.899 2.025 1.00 0.00 C ATOM 674 C ALA A 46 -1.800 -1.823 1.231 1.00 0.00 C ATOM 675 O ALA A 46 -2.190 -0.798 1.788 1.00 0.00 O ATOM 676 CB ALA A 46 0.434 -2.712 1.863 1.00 0.00 C ATOM 0 H ALA A 46 -1.210 -4.361 0.549 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.371 -2.805 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.718 -1.721 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.960 -3.469 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.702 -2.812 0.811 1.00 0.00 H new ATOM 682 N LEU A 47 -1.991 -2.053 -0.072 1.00 0.00 N ATOM 683 CA LEU A 47 -2.689 -1.104 -0.920 1.00 0.00 C ATOM 684 C LEU A 47 -4.165 -1.050 -0.533 1.00 0.00 C ATOM 685 O LEU A 47 -4.794 -0.004 -0.644 1.00 0.00 O ATOM 686 CB LEU A 47 -2.517 -1.535 -2.377 1.00 0.00 C ATOM 687 CG LEU A 47 -1.096 -1.312 -2.898 1.00 0.00 C ATOM 688 CD1 LEU A 47 -1.011 -1.856 -4.322 1.00 0.00 C ATOM 689 CD2 LEU A 47 -0.735 0.168 -2.930 1.00 0.00 C ATOM 0 H LEU A 47 -1.669 -2.891 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.274 -0.104 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.772 -2.591 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.219 -0.981 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.403 -1.823 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.003 -1.705 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.243 -2.921 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.726 -1.331 -4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.281 0.287 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.428 0.697 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.800 0.580 -1.923 1.00 0.00 H new ATOM 701 N ASN A 48 -4.718 -2.178 -0.077 1.00 0.00 N ATOM 702 CA ASN A 48 -6.121 -2.266 0.297 1.00 0.00 C ATOM 703 C ASN A 48 -6.381 -1.441 1.547 1.00 0.00 C ATOM 704 O ASN A 48 -7.425 -0.808 1.668 1.00 0.00 O ATOM 705 CB ASN A 48 -6.489 -3.727 0.553 1.00 0.00 C ATOM 706 CG ASN A 48 -5.898 -4.611 -0.523 1.00 0.00 C ATOM 707 OD1 ASN A 48 -6.538 -4.923 -1.522 1.00 0.00 O ATOM 708 ND2 ASN A 48 -4.649 -5.009 -0.305 1.00 0.00 N ATOM 0 H ASN A 48 -4.202 -3.050 0.041 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.734 -1.875 -0.515 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.120 -4.036 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.573 -3.839 0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.177 -5.603 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.162 -4.720 0.544 1.00 0.00 H new ATOM 715 N ASP A 49 -5.426 -1.451 2.480 1.00 0.00 N ATOM 716 CA ASP A 49 -5.574 -0.680 3.710 1.00 0.00 C ATOM 717 C ASP A 49 -5.519 0.814 3.409 1.00 0.00 C ATOM 718 O ASP A 49 -6.058 1.623 4.163 1.00 0.00 O ATOM 719 CB ASP A 49 -4.470 -1.062 4.701 1.00 0.00 C ATOM 720 CG ASP A 49 -4.942 -0.917 6.143 1.00 0.00 C ATOM 721 OD1 ASP A 49 -5.989 -1.515 6.479 1.00 0.00 O ATOM 722 OD2 ASP A 49 -4.259 -0.209 6.917 1.00 0.00 O ATOM 0 H ASP A 49 -4.555 -1.977 2.407 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.543 -0.908 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.157 -2.090 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.597 -0.430 4.537 1.00 0.00 H new ATOM 727 N TYR A 50 -4.868 1.183 2.303 1.00 0.00 N ATOM 728 CA TYR A 50 -4.802 2.560 1.857 1.00 0.00 C ATOM 729 C TYR A 50 -6.057 2.918 1.059 1.00 0.00 C ATOM 730 O TYR A 50 -6.531 4.049 1.112 1.00 0.00 O ATOM 731 CB TYR A 50 -3.540 2.732 1.015 1.00 0.00 C ATOM 732 CG TYR A 50 -3.333 4.137 0.502 1.00 0.00 C ATOM 733 CD1 TYR A 50 -2.613 5.069 1.266 1.00 0.00 C ATOM 734 CD2 TYR A 50 -3.869 4.499 -0.740 1.00 0.00 C ATOM 735 CE1 TYR A 50 -2.442 6.377 0.788 1.00 0.00 C ATOM 736 CE2 TYR A 50 -3.703 5.805 -1.222 1.00 0.00 C ATOM 737 CZ TYR A 50 -2.989 6.748 -0.458 1.00 0.00 C ATOM 738 OH TYR A 50 -2.832 8.020 -0.924 1.00 0.00 O ATOM 0 H TYR A 50 -4.374 0.528 1.697 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.758 3.234 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.675 2.442 1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.585 2.049 0.167 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.192 4.780 2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.410 3.772 -1.327 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.892 7.099 1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.122 6.087 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.270 8.105 -1.797 1.00 0.00 H new ATOM 748 N TYR A 51 -6.600 1.949 0.321 1.00 0.00 N ATOM 749 CA TYR A 51 -7.834 2.131 -0.432 1.00 0.00 C ATOM 750 C TYR A 51 -9.057 2.104 0.484 1.00 0.00 C ATOM 751 O TYR A 51 -10.174 2.361 0.037 1.00 0.00 O ATOM 752 CB TYR A 51 -7.941 1.061 -1.520 1.00 0.00 C ATOM 753 CG TYR A 51 -6.825 1.107 -2.540 1.00 0.00 C ATOM 754 CD1 TYR A 51 -6.330 2.348 -2.969 1.00 0.00 C ATOM 755 CD2 TYR A 51 -6.283 -0.081 -3.055 1.00 0.00 C ATOM 756 CE1 TYR A 51 -5.294 2.408 -3.910 1.00 0.00 C ATOM 757 CE2 TYR A 51 -5.250 -0.027 -4.006 1.00 0.00 C ATOM 758 CZ TYR A 51 -4.753 1.217 -4.437 1.00 0.00 C ATOM 759 OH TYR A 51 -3.747 1.272 -5.356 1.00 0.00 O ATOM 0 H TYR A 51 -6.194 1.018 0.231 1.00 0.00 H new ATOM 0 HA TYR A 51 -7.807 3.113 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.949 0.078 -1.049 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.895 1.175 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.749 3.261 -2.572 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.660 -1.036 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.910 3.365 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.837 -0.941 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.472 2.204 -5.485 1.00 0.00 H new ATOM 769 N ASP A 52 -8.854 1.795 1.766 1.00 0.00 N ATOM 770 CA ASP A 52 -9.911 1.804 2.759 1.00 0.00 C ATOM 771 C ASP A 52 -9.866 3.064 3.618 1.00 0.00 C ATOM 772 O ASP A 52 -10.890 3.468 4.170 1.00 0.00 O ATOM 773 CB ASP A 52 -9.708 0.600 3.676 1.00 0.00 C ATOM 774 CG ASP A 52 -10.042 -0.736 3.015 1.00 0.00 C ATOM 775 OD1 ASP A 52 -10.750 -0.723 1.983 1.00 0.00 O ATOM 776 OD2 ASP A 52 -9.586 -1.769 3.554 1.00 0.00 O ATOM 0 H ASP A 52 -7.942 1.531 2.139 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.871 1.770 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.671 0.580 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.328 0.722 4.564 1.00 0.00 H new ATOM 781 N LYS A 53 -8.686 3.680 3.738 1.00 0.00 N ATOM 782 CA LYS A 53 -8.471 4.753 4.699 1.00 0.00 C ATOM 783 C LYS A 53 -7.954 6.051 4.081 1.00 0.00 C ATOM 784 O LYS A 53 -7.975 7.083 4.747 1.00 0.00 O ATOM 785 CB LYS A 53 -7.480 4.235 5.732 1.00 0.00 C ATOM 786 CG LYS A 53 -8.020 2.986 6.427 1.00 0.00 C ATOM 787 CD LYS A 53 -6.947 2.476 7.374 1.00 0.00 C ATOM 788 CE LYS A 53 -7.416 1.178 8.029 1.00 0.00 C ATOM 789 NZ LYS A 53 -6.330 0.574 8.821 1.00 0.00 N ATOM 0 H LYS A 53 -7.866 3.449 3.177 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.433 5.013 5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.531 4.005 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.281 5.010 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.933 3.219 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.275 2.222 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.018 2.305 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.736 3.225 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.274 1.378 8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.748 0.477 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.628 -0.363 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.482 0.474 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.113 1.184 9.635 1.00 0.00 H new ATOM 803 N GLU A 54 -7.494 6.018 2.828 1.00 0.00 N ATOM 804 CA GLU A 54 -6.906 7.186 2.179 1.00 0.00 C ATOM 805 C GLU A 54 -7.378 7.332 0.732 1.00 0.00 C ATOM 806 O GLU A 54 -6.820 8.135 -0.015 1.00 0.00 O ATOM 807 CB GLU A 54 -5.377 7.079 2.202 1.00 0.00 C ATOM 808 CG GLU A 54 -4.794 6.986 3.616 1.00 0.00 C ATOM 809 CD GLU A 54 -5.057 8.239 4.453 1.00 0.00 C ATOM 810 OE1 GLU A 54 -5.289 9.314 3.853 1.00 0.00 O ATOM 811 OE2 GLU A 54 -5.020 8.114 5.699 1.00 0.00 O ATOM 0 H GLU A 54 -7.519 5.185 2.240 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.231 8.067 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.073 6.200 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.952 7.947 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.221 6.121 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.719 6.819 3.550 1.00 0.00 H new ATOM 818 N ILE A 55 -8.392 6.569 0.322 1.00 0.00 N ATOM 819 CA ILE A 55 -8.862 6.580 -1.056 1.00 0.00 C ATOM 820 C ILE A 55 -9.414 7.960 -1.429 1.00 0.00 C ATOM 821 O ILE A 55 -10.000 8.648 -0.594 1.00 0.00 O ATOM 822 CB ILE A 55 -9.877 5.448 -1.256 1.00 0.00 C ATOM 823 CG1 ILE A 55 -10.198 5.302 -2.744 1.00 0.00 C ATOM 824 CG2 ILE A 55 -11.138 5.691 -0.421 1.00 0.00 C ATOM 825 CD1 ILE A 55 -11.066 4.075 -3.018 1.00 0.00 C ATOM 0 H ILE A 55 -8.904 5.933 0.933 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.031 6.396 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.443 4.511 -0.908 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.712 6.197 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.270 5.225 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.843 4.875 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -10.871 5.740 0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.599 6.632 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.272 4.006 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.541 3.177 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.005 4.165 -2.472 1.00 0.00 H new ATOM 837 N GLY A 56 -9.226 8.366 -2.688 1.00 0.00 N ATOM 838 CA GLY A 56 -9.607 9.691 -3.159 1.00 0.00 C ATOM 839 C GLY A 56 -11.087 9.813 -3.516 1.00 0.00 C ATOM 840 O GLY A 56 -11.553 10.914 -3.806 1.00 0.00 O ATOM 0 H GLY A 56 -8.804 7.780 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.366 10.424 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.009 9.941 -4.035 1.00 0.00 H new ATOM 844 N THR A 57 -11.831 8.705 -3.504 1.00 0.00 N ATOM 845 CA THR A 57 -13.244 8.706 -3.858 1.00 0.00 C ATOM 846 C THR A 57 -13.945 7.518 -3.212 1.00 0.00 C ATOM 847 O THR A 57 -13.289 6.571 -2.779 1.00 0.00 O ATOM 848 CB THR A 57 -13.397 8.661 -5.383 1.00 0.00 C ATOM 849 OG1 THR A 57 -14.761 8.754 -5.720 1.00 0.00 O ATOM 850 CG2 THR A 57 -12.832 7.368 -5.973 1.00 0.00 C ATOM 0 H THR A 57 -11.468 7.786 -3.249 1.00 0.00 H new ATOM 0 HA THR A 57 -13.707 9.621 -3.488 1.00 0.00 H new ATOM 0 HB THR A 57 -12.838 9.500 -5.797 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.860 8.727 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.960 7.376 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.771 7.292 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 57 -13.361 6.514 -5.551 1.00 0.00 H new ATOM 858 N PHE A 58 -15.277 7.562 -3.148 1.00 0.00 N ATOM 859 CA PHE A 58 -16.060 6.488 -2.563 1.00 0.00 C ATOM 860 C PHE A 58 -17.400 6.329 -3.280 1.00 0.00 C ATOM 861 O PHE A 58 -18.399 5.928 -2.683 1.00 0.00 O ATOM 862 CB PHE A 58 -16.226 6.723 -1.063 1.00 0.00 C ATOM 863 CG PHE A 58 -16.676 5.488 -0.318 1.00 0.00 C ATOM 864 CD1 PHE A 58 -16.059 4.257 -0.579 1.00 0.00 C ATOM 865 CD2 PHE A 58 -17.709 5.568 0.625 1.00 0.00 C ATOM 866 CE1 PHE A 58 -16.473 3.106 0.104 1.00 0.00 C ATOM 867 CE2 PHE A 58 -18.122 4.417 1.313 1.00 0.00 C ATOM 868 CZ PHE A 58 -17.505 3.185 1.051 1.00 0.00 C ATOM 0 H PHE A 58 -15.834 8.341 -3.500 1.00 0.00 H new ATOM 0 HA PHE A 58 -15.527 5.546 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.278 7.066 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.951 7.521 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -15.264 4.196 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -18.188 6.516 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -15.998 2.158 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -18.915 4.480 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 58 -17.824 2.298 1.578 1.00 0.00 H new ATOM 878 N THR A 59 -17.415 6.651 -4.573 1.00 0.00 N ATOM 879 CA THR A 59 -18.613 6.587 -5.399 1.00 0.00 C ATOM 880 C THR A 59 -18.878 5.161 -5.870 1.00 0.00 C ATOM 881 O THR A 59 -17.979 4.321 -5.886 1.00 0.00 O ATOM 882 CB THR A 59 -18.491 7.537 -6.592 1.00 0.00 C ATOM 883 OG1 THR A 59 -17.354 7.211 -7.361 1.00 0.00 O ATOM 884 CG2 THR A 59 -18.375 8.987 -6.117 1.00 0.00 C ATOM 0 H THR A 59 -16.587 6.966 -5.078 1.00 0.00 H new ATOM 0 HA THR A 59 -19.462 6.902 -4.791 1.00 0.00 H new ATOM 0 HB THR A 59 -19.388 7.430 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 59 -17.287 7.824 -8.122 1.00 0.00 H new ATOM 0 HG21 THR A 59 -18.289 9.647 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.262 9.254 -5.543 1.00 0.00 H new ATOM 0 HG23 THR A 59 -17.491 9.094 -5.489 1.00 0.00 H new ATOM 892 N ASP A 60 -20.126 4.889 -6.256 1.00 0.00 N ATOM 893 CA ASP A 60 -20.541 3.570 -6.714 1.00 0.00 C ATOM 894 C ASP A 60 -21.559 3.681 -7.849 1.00 0.00 C ATOM 895 O ASP A 60 -22.308 2.741 -8.115 1.00 0.00 O ATOM 896 CB ASP A 60 -21.076 2.765 -5.527 1.00 0.00 C ATOM 897 CG ASP A 60 -21.290 1.293 -5.873 1.00 0.00 C ATOM 898 OD1 ASP A 60 -20.372 0.700 -6.486 1.00 0.00 O ATOM 899 OD2 ASP A 60 -22.372 0.769 -5.521 1.00 0.00 O ATOM 0 H ASP A 60 -20.875 5.581 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 60 -19.682 3.038 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -20.377 2.842 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.019 3.198 -5.193 1.00 0.00 H new ATOM 904 N GLU A 61 -21.585 4.833 -8.522 1.00 0.00 N ATOM 905 CA GLU A 61 -22.499 5.080 -9.625 1.00 0.00 C ATOM 906 C GLU A 61 -21.734 5.509 -10.878 1.00 0.00 C ATOM 907 O GLU A 61 -20.581 5.933 -10.795 1.00 0.00 O ATOM 908 CB GLU A 61 -23.519 6.150 -9.230 1.00 0.00 C ATOM 909 CG GLU A 61 -24.408 5.702 -8.065 1.00 0.00 C ATOM 910 CD GLU A 61 -25.271 4.491 -8.419 1.00 0.00 C ATOM 911 OE1 GLU A 61 -25.647 4.362 -9.606 1.00 0.00 O ATOM 912 OE2 GLU A 61 -25.553 3.698 -7.495 1.00 0.00 O ATOM 0 H GLU A 61 -20.969 5.619 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 61 -23.028 4.154 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -22.995 7.065 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.144 6.389 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -23.782 5.459 -7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -25.053 6.528 -7.765 1.00 0.00 H new ATOM 919 N VAL A 62 -22.389 5.398 -12.039 1.00 0.00 N ATOM 920 CA VAL A 62 -21.809 5.750 -13.333 1.00 0.00 C ATOM 921 C VAL A 62 -22.813 6.518 -14.188 1.00 0.00 C ATOM 922 O VAL A 62 -24.030 6.378 -13.934 1.00 0.00 O ATOM 923 CB VAL A 62 -21.328 4.491 -14.065 1.00 0.00 C ATOM 924 CG1 VAL A 62 -20.204 3.809 -13.284 1.00 0.00 C ATOM 925 CG2 VAL A 62 -22.469 3.496 -14.275 1.00 0.00 C ATOM 0 H VAL A 62 -23.348 5.057 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 62 -20.950 6.397 -13.157 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.956 4.807 -15.039 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.877 2.918 -13.820 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -19.365 4.497 -13.178 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.567 3.525 -12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -22.093 2.616 -14.796 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -22.875 3.199 -13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -23.254 3.963 -14.870 1.00 0.00 H new TER 935 VAL A 62