USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.491 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00675 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc=-0.00623 (180deg=-0.124) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.65 K(o=-3.6,f=-5.2!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 30:sc= -0.18 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.0168 K(o=0.017,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.1!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-3.8!) USER MOD Single : A 48 HIS : no HD1:sc= -0.018 X(o=-0.018,f=-0.016) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0947 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -64:sc= 0.338 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.122 -21.144 -13.165 1.00 0.00 N ATOM 2 CA GLY A 1 10.295 -19.962 -13.326 1.00 0.00 C ATOM 3 C GLY A 1 10.950 -18.912 -14.200 1.00 0.00 C ATOM 4 O GLY A 1 12.072 -18.483 -13.933 1.00 0.00 O ATOM 0 H1 GLY A 1 10.630 -21.832 -12.559 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.304 -21.570 -14.096 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.025 -20.878 -12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.338 -20.248 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.083 -19.534 -12.346 1.00 0.00 H new ATOM 8 N SER A 2 10.248 -18.497 -15.251 1.00 0.00 N ATOM 9 CA SER A 2 10.771 -17.494 -16.171 1.00 0.00 C ATOM 10 C SER A 2 10.707 -16.102 -15.550 1.00 0.00 C ATOM 11 O SER A 2 9.888 -15.839 -14.670 1.00 0.00 O ATOM 12 CB SER A 2 9.983 -17.516 -17.483 1.00 0.00 C ATOM 13 OG SER A 2 10.089 -18.778 -18.120 1.00 0.00 O ATOM 0 H SER A 2 9.317 -18.840 -15.486 1.00 0.00 H new ATOM 0 HA SER A 2 11.814 -17.733 -16.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.935 -17.292 -17.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.356 -16.737 -18.148 1.00 0.00 H new ATOM 0 HG SER A 2 9.576 -18.767 -18.955 1.00 0.00 H new ATOM 19 N SER A 3 11.579 -15.213 -16.016 1.00 0.00 N ATOM 20 CA SER A 3 11.626 -13.848 -15.505 1.00 0.00 C ATOM 21 C SER A 3 10.702 -12.936 -16.306 1.00 0.00 C ATOM 22 O SER A 3 11.093 -12.383 -17.332 1.00 0.00 O ATOM 23 CB SER A 3 13.058 -13.312 -15.554 1.00 0.00 C ATOM 24 OG SER A 3 13.607 -13.442 -16.854 1.00 0.00 O ATOM 0 H SER A 3 12.262 -15.414 -16.746 1.00 0.00 H new ATOM 0 HA SER A 3 11.286 -13.862 -14.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.068 -12.264 -15.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.677 -13.853 -14.839 1.00 0.00 H new ATOM 0 HG SER A 3 12.956 -13.131 -17.517 1.00 0.00 H new ATOM 30 N GLY A 4 9.470 -12.785 -15.827 1.00 0.00 N ATOM 31 CA GLY A 4 8.508 -11.939 -16.509 1.00 0.00 C ATOM 32 C GLY A 4 8.303 -10.611 -15.808 1.00 0.00 C ATOM 33 O GLY A 4 8.541 -9.552 -16.388 1.00 0.00 O ATOM 0 H GLY A 4 9.122 -13.233 -14.980 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.846 -11.759 -17.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.554 -12.461 -16.577 1.00 0.00 H new ATOM 37 N SER A 5 7.859 -10.667 -14.557 1.00 0.00 N ATOM 38 CA SER A 5 7.616 -9.458 -13.777 1.00 0.00 C ATOM 39 C SER A 5 7.845 -9.716 -12.291 1.00 0.00 C ATOM 40 O SER A 5 7.511 -10.783 -11.776 1.00 0.00 O ATOM 41 CB SER A 5 6.189 -8.956 -14.006 1.00 0.00 C ATOM 42 OG SER A 5 5.966 -8.659 -15.373 1.00 0.00 O ATOM 0 H SER A 5 7.660 -11.536 -14.061 1.00 0.00 H new ATOM 0 HA SER A 5 8.319 -8.694 -14.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.477 -9.711 -13.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.013 -8.065 -13.404 1.00 0.00 H new ATOM 0 HG SER A 5 5.047 -8.342 -15.493 1.00 0.00 H new ATOM 48 N SER A 6 8.417 -8.730 -11.607 1.00 0.00 N ATOM 49 CA SER A 6 8.694 -8.849 -10.181 1.00 0.00 C ATOM 50 C SER A 6 7.565 -8.242 -9.355 1.00 0.00 C ATOM 51 O SER A 6 7.113 -7.130 -9.623 1.00 0.00 O ATOM 52 CB SER A 6 10.018 -8.163 -9.838 1.00 0.00 C ATOM 53 OG SER A 6 10.208 -8.093 -8.435 1.00 0.00 O ATOM 0 H SER A 6 8.698 -7.840 -12.018 1.00 0.00 H new ATOM 0 HA SER A 6 8.768 -9.909 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.843 -8.711 -10.293 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.031 -7.158 -10.260 1.00 0.00 H new ATOM 0 HG SER A 6 11.062 -7.652 -8.242 1.00 0.00 H new ATOM 59 N GLY A 7 7.113 -8.982 -8.346 1.00 0.00 N ATOM 60 CA GLY A 7 6.040 -8.501 -7.496 1.00 0.00 C ATOM 61 C GLY A 7 4.673 -8.935 -7.986 1.00 0.00 C ATOM 62 O GLY A 7 4.563 -9.690 -8.952 1.00 0.00 O ATOM 0 H GLY A 7 7.471 -9.906 -8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.192 -8.868 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.077 -7.413 -7.450 1.00 0.00 H new ATOM 66 N ARG A 8 3.628 -8.458 -7.317 1.00 0.00 N ATOM 67 CA ARG A 8 2.261 -8.804 -7.689 1.00 0.00 C ATOM 68 C ARG A 8 1.424 -7.548 -7.914 1.00 0.00 C ATOM 69 O ARG A 8 1.582 -6.536 -7.231 1.00 0.00 O ATOM 70 CB ARG A 8 1.618 -9.670 -6.603 1.00 0.00 C ATOM 71 CG ARG A 8 1.923 -11.152 -6.746 1.00 0.00 C ATOM 72 CD ARG A 8 1.694 -11.896 -5.440 1.00 0.00 C ATOM 73 NE ARG A 8 2.258 -13.243 -5.471 1.00 0.00 N ATOM 74 CZ ARG A 8 1.689 -14.264 -6.101 1.00 0.00 C ATOM 75 NH1 ARG A 8 0.545 -14.093 -6.749 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.264 -15.460 -6.084 1.00 0.00 N ATOM 0 H ARG A 8 3.702 -7.832 -6.515 1.00 0.00 H new ATOM 0 HA ARG A 8 2.297 -9.368 -8.621 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.963 -9.329 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.538 -9.526 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.293 -11.581 -7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.957 -11.283 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.141 -11.335 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.624 -11.955 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 8 3.138 -13.408 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.100 -13.175 -6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.110 -14.879 -7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 8 3.144 -15.596 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.826 -16.243 -6.568 1.00 0.00 H new ATOM 90 N PRO A 9 0.513 -7.612 -8.896 1.00 0.00 N ATOM 91 CA PRO A 9 -0.366 -6.489 -9.235 1.00 0.00 C ATOM 92 C PRO A 9 -1.407 -6.222 -8.153 1.00 0.00 C ATOM 93 O PRO A 9 -2.160 -7.116 -7.768 1.00 0.00 O ATOM 94 CB PRO A 9 -1.045 -6.948 -10.528 1.00 0.00 C ATOM 95 CG PRO A 9 -1.003 -8.436 -10.472 1.00 0.00 C ATOM 96 CD PRO A 9 0.270 -8.786 -9.751 1.00 0.00 C ATOM 0 HA PRO A 9 0.186 -5.555 -9.336 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.070 -6.583 -10.587 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.521 -6.570 -11.406 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.871 -8.832 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.015 -8.865 -11.474 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.160 -9.696 -9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.092 -8.954 -10.446 1.00 0.00 H new ATOM 104 N ALA A 10 -1.444 -4.985 -7.667 1.00 0.00 N ATOM 105 CA ALA A 10 -2.394 -4.599 -6.632 1.00 0.00 C ATOM 106 C ALA A 10 -3.040 -3.256 -6.952 1.00 0.00 C ATOM 107 O ALA A 10 -2.410 -2.379 -7.543 1.00 0.00 O ATOM 108 CB ALA A 10 -1.705 -4.546 -5.276 1.00 0.00 C ATOM 0 H ALA A 10 -0.827 -4.233 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.182 -5.352 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.427 -4.256 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.298 -5.528 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.897 -3.816 -5.307 1.00 0.00 H new ATOM 114 N ARG A 11 -4.300 -3.101 -6.559 1.00 0.00 N ATOM 115 CA ARG A 11 -5.032 -1.865 -6.807 1.00 0.00 C ATOM 116 C ARG A 11 -5.488 -1.231 -5.496 1.00 0.00 C ATOM 117 O ARG A 11 -6.030 -1.908 -4.623 1.00 0.00 O ATOM 118 CB ARG A 11 -6.242 -2.134 -7.703 1.00 0.00 C ATOM 119 CG ARG A 11 -7.013 -0.879 -8.079 1.00 0.00 C ATOM 120 CD ARG A 11 -8.020 -1.154 -9.185 1.00 0.00 C ATOM 121 NE ARG A 11 -9.064 -0.134 -9.240 1.00 0.00 N ATOM 122 CZ ARG A 11 -10.069 -0.158 -10.108 1.00 0.00 C ATOM 123 NH1 ARG A 11 -10.166 -1.144 -10.989 1.00 0.00 N ATOM 124 NH2 ARG A 11 -10.981 0.806 -10.096 1.00 0.00 N ATOM 0 H ARG A 11 -4.835 -3.817 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.361 -1.171 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.906 -2.630 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.914 -2.824 -7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.531 -0.493 -7.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.316 -0.106 -8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.503 -1.196 -10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.476 -2.131 -9.026 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.019 0.639 -8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.468 -1.887 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.939 -1.159 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.911 1.566 -9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.752 0.787 -10.763 1.00 0.00 H new ATOM 138 N ALA A 12 -5.263 0.072 -5.365 1.00 0.00 N ATOM 139 CA ALA A 12 -5.652 0.798 -4.162 1.00 0.00 C ATOM 140 C ALA A 12 -7.141 1.126 -4.176 1.00 0.00 C ATOM 141 O ALA A 12 -7.615 1.874 -5.031 1.00 0.00 O ATOM 142 CB ALA A 12 -4.830 2.071 -4.025 1.00 0.00 C ATOM 0 H ALA A 12 -4.813 0.647 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.456 0.158 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.131 2.603 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.772 1.816 -3.960 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.997 2.707 -4.894 1.00 0.00 H new ATOM 148 N LYS A 13 -7.875 0.561 -3.223 1.00 0.00 N ATOM 149 CA LYS A 13 -9.311 0.794 -3.124 1.00 0.00 C ATOM 150 C LYS A 13 -9.600 2.197 -2.600 1.00 0.00 C ATOM 151 O LYS A 13 -10.574 2.833 -3.005 1.00 0.00 O ATOM 152 CB LYS A 13 -9.955 -0.248 -2.206 1.00 0.00 C ATOM 153 CG LYS A 13 -10.234 -1.574 -2.892 1.00 0.00 C ATOM 154 CD LYS A 13 -11.560 -1.549 -3.633 1.00 0.00 C ATOM 155 CE LYS A 13 -12.728 -1.820 -2.697 1.00 0.00 C ATOM 156 NZ LYS A 13 -12.791 -3.250 -2.289 1.00 0.00 N ATOM 0 H LYS A 13 -7.499 -0.062 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.738 0.704 -4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.301 -0.421 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.890 0.153 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.429 -1.799 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.245 -2.373 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.693 -0.578 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.548 -2.296 -4.427 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.636 -1.193 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.660 -1.541 -3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.721 -3.451 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.649 -3.855 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.047 -3.444 -1.589 1.00 0.00 H new ATOM 170 N PHE A 14 -8.748 2.675 -1.699 1.00 0.00 N ATOM 171 CA PHE A 14 -8.913 4.003 -1.121 1.00 0.00 C ATOM 172 C PHE A 14 -7.588 4.760 -1.111 1.00 0.00 C ATOM 173 O PHE A 14 -6.536 4.196 -1.416 1.00 0.00 O ATOM 174 CB PHE A 14 -9.463 3.898 0.303 1.00 0.00 C ATOM 175 CG PHE A 14 -10.586 2.911 0.440 1.00 0.00 C ATOM 176 CD1 PHE A 14 -10.334 1.548 0.425 1.00 0.00 C ATOM 177 CD2 PHE A 14 -11.894 3.345 0.583 1.00 0.00 C ATOM 178 CE1 PHE A 14 -11.366 0.637 0.551 1.00 0.00 C ATOM 179 CE2 PHE A 14 -12.930 2.438 0.711 1.00 0.00 C ATOM 180 CZ PHE A 14 -12.665 1.082 0.693 1.00 0.00 C ATOM 0 H PHE A 14 -7.937 2.162 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.623 4.555 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.655 3.612 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.812 4.880 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.320 1.194 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.107 4.404 0.595 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.156 -0.422 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.945 2.789 0.825 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.473 0.372 0.790 1.00 0.00 H new ATOM 190 N ASP A 15 -7.647 6.040 -0.761 1.00 0.00 N ATOM 191 CA ASP A 15 -6.453 6.875 -0.711 1.00 0.00 C ATOM 192 C ASP A 15 -5.691 6.657 0.593 1.00 0.00 C ATOM 193 O ASP A 15 -6.285 6.613 1.671 1.00 0.00 O ATOM 194 CB ASP A 15 -6.829 8.350 -0.855 1.00 0.00 C ATOM 195 CG ASP A 15 -7.913 8.769 0.119 1.00 0.00 C ATOM 196 OD1 ASP A 15 -9.033 8.224 0.029 1.00 0.00 O ATOM 197 OD2 ASP A 15 -7.641 9.642 0.970 1.00 0.00 O ATOM 0 H ASP A 15 -8.509 6.522 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.806 6.590 -1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.943 8.965 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.168 8.538 -1.874 1.00 0.00 H new ATOM 202 N PHE A 16 -4.373 6.520 0.487 1.00 0.00 N ATOM 203 CA PHE A 16 -3.531 6.305 1.657 1.00 0.00 C ATOM 204 C PHE A 16 -2.365 7.289 1.677 1.00 0.00 C ATOM 205 O PHE A 16 -1.693 7.494 0.666 1.00 0.00 O ATOM 206 CB PHE A 16 -3.001 4.869 1.673 1.00 0.00 C ATOM 207 CG PHE A 16 -2.215 4.534 2.908 1.00 0.00 C ATOM 208 CD1 PHE A 16 -2.854 4.355 4.124 1.00 0.00 C ATOM 209 CD2 PHE A 16 -0.837 4.398 2.853 1.00 0.00 C ATOM 210 CE1 PHE A 16 -2.134 4.046 5.263 1.00 0.00 C ATOM 211 CE2 PHE A 16 -0.112 4.088 3.988 1.00 0.00 C ATOM 212 CZ PHE A 16 -0.761 3.914 5.195 1.00 0.00 C ATOM 0 H PHE A 16 -3.866 6.554 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.139 6.471 2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.841 4.179 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.371 4.713 0.797 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.927 4.458 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.324 4.536 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.645 3.908 6.205 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.961 3.982 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.196 3.675 6.084 1.00 0.00 H new ATOM 222 N LYS A 17 -2.132 7.897 2.835 1.00 0.00 N ATOM 223 CA LYS A 17 -1.048 8.860 2.990 1.00 0.00 C ATOM 224 C LYS A 17 0.115 8.251 3.767 1.00 0.00 C ATOM 225 O LYS A 17 -0.041 7.846 4.919 1.00 0.00 O ATOM 226 CB LYS A 17 -1.552 10.116 3.705 1.00 0.00 C ATOM 227 CG LYS A 17 -0.793 11.377 3.328 1.00 0.00 C ATOM 228 CD LYS A 17 -0.877 12.427 4.423 1.00 0.00 C ATOM 229 CE LYS A 17 0.024 12.079 5.598 1.00 0.00 C ATOM 230 NZ LYS A 17 0.082 13.182 6.597 1.00 0.00 N ATOM 0 H LYS A 17 -2.680 7.740 3.681 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.694 9.133 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.608 10.255 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.477 9.965 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.252 11.131 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.198 11.783 2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.592 13.399 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.908 12.514 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.341 11.172 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.029 11.865 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.706 12.907 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.454 14.041 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.873 13.369 6.963 1.00 0.00 H new ATOM 244 N ALA A 18 1.280 8.191 3.130 1.00 0.00 N ATOM 245 CA ALA A 18 2.469 7.635 3.764 1.00 0.00 C ATOM 246 C ALA A 18 3.113 8.647 4.705 1.00 0.00 C ATOM 247 O ALA A 18 3.802 9.567 4.264 1.00 0.00 O ATOM 248 CB ALA A 18 3.467 7.183 2.708 1.00 0.00 C ATOM 0 H ALA A 18 1.426 8.521 2.176 1.00 0.00 H new ATOM 0 HA ALA A 18 2.166 6.771 4.355 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.350 6.770 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.010 6.420 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.757 8.035 2.093 1.00 0.00 H new ATOM 254 N GLN A 19 2.884 8.471 6.003 1.00 0.00 N ATOM 255 CA GLN A 19 3.442 9.371 7.005 1.00 0.00 C ATOM 256 C GLN A 19 4.950 9.517 6.827 1.00 0.00 C ATOM 257 O GLN A 19 5.493 10.618 6.917 1.00 0.00 O ATOM 258 CB GLN A 19 3.131 8.857 8.412 1.00 0.00 C ATOM 259 CG GLN A 19 1.688 9.082 8.836 1.00 0.00 C ATOM 260 CD GLN A 19 0.695 8.443 7.886 1.00 0.00 C ATOM 261 OE1 GLN A 19 0.202 9.086 6.959 1.00 0.00 O ATOM 262 NE2 GLN A 19 0.394 7.169 8.112 1.00 0.00 N ATOM 0 H GLN A 19 2.317 7.714 6.385 1.00 0.00 H new ATOM 0 HA GLN A 19 2.982 10.350 6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.353 7.791 8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.792 9.351 9.125 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.540 8.677 9.837 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.493 10.153 8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.826 6.674 8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.269 6.686 7.506 1.00 0.00 H new ATOM 271 N THR A 20 5.622 8.398 6.573 1.00 0.00 N ATOM 272 CA THR A 20 7.067 8.401 6.384 1.00 0.00 C ATOM 273 C THR A 20 7.489 7.357 5.356 1.00 0.00 C ATOM 274 O THR A 20 6.664 6.586 4.864 1.00 0.00 O ATOM 275 CB THR A 20 7.808 8.130 7.707 1.00 0.00 C ATOM 276 OG1 THR A 20 7.338 6.910 8.290 1.00 0.00 O ATOM 277 CG2 THR A 20 7.605 9.277 8.685 1.00 0.00 C ATOM 0 H THR A 20 5.188 7.478 6.494 1.00 0.00 H new ATOM 0 HA THR A 20 7.336 9.393 6.022 1.00 0.00 H new ATOM 0 HB THR A 20 8.873 8.042 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.815 6.744 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.137 9.063 9.612 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.990 10.199 8.249 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.542 9.392 8.896 1.00 0.00 H new ATOM 285 N LEU A 21 8.778 7.338 5.034 1.00 0.00 N ATOM 286 CA LEU A 21 9.310 6.387 4.064 1.00 0.00 C ATOM 287 C LEU A 21 8.748 4.990 4.306 1.00 0.00 C ATOM 288 O LEU A 21 8.313 4.313 3.373 1.00 0.00 O ATOM 289 CB LEU A 21 10.837 6.354 4.137 1.00 0.00 C ATOM 290 CG LEU A 21 11.573 7.360 3.251 1.00 0.00 C ATOM 291 CD1 LEU A 21 11.292 7.083 1.782 1.00 0.00 C ATOM 292 CD2 LEU A 21 11.175 8.783 3.614 1.00 0.00 C ATOM 0 H LEU A 21 9.474 7.970 5.430 1.00 0.00 H new ATOM 0 HA LEU A 21 9.007 6.713 3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 21 11.135 6.525 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 21 11.172 5.352 3.870 1.00 0.00 H new ATOM 0 HG LEU A 21 12.644 7.250 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.824 7.809 1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.629 6.077 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.221 7.164 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.709 9.485 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.101 8.908 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.429 8.977 4.656 1.00 0.00 H new ATOM 304 N LYS A 22 8.757 4.563 5.564 1.00 0.00 N ATOM 305 CA LYS A 22 8.245 3.248 5.931 1.00 0.00 C ATOM 306 C LYS A 22 6.985 2.915 5.140 1.00 0.00 C ATOM 307 O LYS A 22 6.871 1.833 4.564 1.00 0.00 O ATOM 308 CB LYS A 22 7.948 3.194 7.431 1.00 0.00 C ATOM 309 CG LYS A 22 7.553 1.813 7.924 1.00 0.00 C ATOM 310 CD LYS A 22 7.958 1.600 9.372 1.00 0.00 C ATOM 311 CE LYS A 22 9.367 1.037 9.480 1.00 0.00 C ATOM 312 NZ LYS A 22 9.952 1.259 10.831 1.00 0.00 N ATOM 0 H LYS A 22 9.114 5.109 6.348 1.00 0.00 H new ATOM 0 HA LYS A 22 9.009 2.508 5.692 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.829 3.528 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.145 3.895 7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.475 1.685 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.023 1.054 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.901 2.546 9.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.255 0.918 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.349 -0.031 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.003 1.504 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.912 0.861 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.993 2.279 11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.359 0.792 11.547 1.00 0.00 H new ATOM 326 N GLU A 23 6.042 3.852 5.115 1.00 0.00 N ATOM 327 CA GLU A 23 4.790 3.656 4.393 1.00 0.00 C ATOM 328 C GLU A 23 4.873 4.249 2.989 1.00 0.00 C ATOM 329 O GLU A 23 5.763 5.047 2.692 1.00 0.00 O ATOM 330 CB GLU A 23 3.629 4.292 5.160 1.00 0.00 C ATOM 331 CG GLU A 23 3.092 3.422 6.284 1.00 0.00 C ATOM 332 CD GLU A 23 2.526 4.235 7.432 1.00 0.00 C ATOM 333 OE1 GLU A 23 3.318 4.873 8.155 1.00 0.00 O ATOM 334 OE2 GLU A 23 1.289 4.233 7.605 1.00 0.00 O ATOM 0 H GLU A 23 6.121 4.753 5.586 1.00 0.00 H new ATOM 0 HA GLU A 23 4.614 2.584 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.958 5.245 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.820 4.510 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.315 2.766 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.892 2.782 6.657 1.00 0.00 H new ATOM 341 N LEU A 24 3.940 3.853 2.131 1.00 0.00 N ATOM 342 CA LEU A 24 3.907 4.345 0.757 1.00 0.00 C ATOM 343 C LEU A 24 2.529 4.899 0.411 1.00 0.00 C ATOM 344 O LEU A 24 1.497 4.296 0.708 1.00 0.00 O ATOM 345 CB LEU A 24 4.277 3.224 -0.215 1.00 0.00 C ATOM 346 CG LEU A 24 4.329 3.608 -1.694 1.00 0.00 C ATOM 347 CD1 LEU A 24 5.730 4.055 -2.081 1.00 0.00 C ATOM 348 CD2 LEU A 24 3.879 2.443 -2.564 1.00 0.00 C ATOM 0 H LEU A 24 3.197 3.193 2.361 1.00 0.00 H new ATOM 0 HA LEU A 24 4.636 5.151 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.252 2.829 0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.557 2.414 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 24 3.646 4.442 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.747 4.324 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.015 4.920 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.434 3.242 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.922 2.735 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.536 1.589 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.856 2.170 -2.305 1.00 0.00 H new ATOM 360 N PRO A 25 2.509 6.075 -0.234 1.00 0.00 N ATOM 361 CA PRO A 25 1.264 6.735 -0.638 1.00 0.00 C ATOM 362 C PRO A 25 0.553 5.994 -1.765 1.00 0.00 C ATOM 363 O PRO A 25 1.182 5.562 -2.732 1.00 0.00 O ATOM 364 CB PRO A 25 1.732 8.112 -1.116 1.00 0.00 C ATOM 365 CG PRO A 25 3.147 7.907 -1.535 1.00 0.00 C ATOM 366 CD PRO A 25 3.700 6.850 -0.620 1.00 0.00 C ATOM 0 HA PRO A 25 0.541 6.774 0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.122 8.472 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.658 8.853 -0.320 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.204 7.590 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.717 8.832 -1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.438 6.227 -1.125 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.193 7.288 0.248 1.00 0.00 H new ATOM 374 N LEU A 26 -0.761 5.848 -1.634 1.00 0.00 N ATOM 375 CA LEU A 26 -1.558 5.158 -2.643 1.00 0.00 C ATOM 376 C LEU A 26 -2.795 5.972 -3.009 1.00 0.00 C ATOM 377 O LEU A 26 -3.503 6.471 -2.135 1.00 0.00 O ATOM 378 CB LEU A 26 -1.975 3.777 -2.134 1.00 0.00 C ATOM 379 CG LEU A 26 -0.852 2.896 -1.586 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.421 1.633 -0.960 1.00 0.00 C ATOM 381 CD2 LEU A 26 0.139 2.549 -2.687 1.00 0.00 C ATOM 0 H LEU A 26 -1.297 6.198 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.946 5.040 -3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.720 3.911 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.463 3.243 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.324 3.453 -0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.607 1.019 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.090 1.902 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.975 1.072 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.931 1.922 -2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.376 2.011 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.572 3.465 -3.089 1.00 0.00 H new ATOM 393 N GLN A 27 -3.049 6.100 -4.308 1.00 0.00 N ATOM 394 CA GLN A 27 -4.202 6.853 -4.789 1.00 0.00 C ATOM 395 C GLN A 27 -5.294 5.913 -5.291 1.00 0.00 C ATOM 396 O GLN A 27 -5.010 4.886 -5.906 1.00 0.00 O ATOM 397 CB GLN A 27 -3.782 7.809 -5.907 1.00 0.00 C ATOM 398 CG GLN A 27 -4.946 8.308 -6.749 1.00 0.00 C ATOM 399 CD GLN A 27 -4.692 9.682 -7.338 1.00 0.00 C ATOM 400 OE1 GLN A 27 -5.043 10.700 -6.742 1.00 0.00 O ATOM 401 NE2 GLN A 27 -4.079 9.717 -8.515 1.00 0.00 N ATOM 0 H GLN A 27 -2.473 5.693 -5.045 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.601 7.432 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.268 8.665 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.065 7.305 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.136 7.600 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.846 8.340 -6.135 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.806 8.848 -8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.881 10.613 -8.961 1.00 0.00 H new ATOM 410 N LYS A 28 -6.545 6.273 -5.023 1.00 0.00 N ATOM 411 CA LYS A 28 -7.681 5.463 -5.447 1.00 0.00 C ATOM 412 C LYS A 28 -7.530 5.033 -6.903 1.00 0.00 C ATOM 413 O LYS A 28 -7.470 5.868 -7.804 1.00 0.00 O ATOM 414 CB LYS A 28 -8.985 6.244 -5.268 1.00 0.00 C ATOM 415 CG LYS A 28 -10.223 5.463 -5.674 1.00 0.00 C ATOM 416 CD LYS A 28 -11.489 6.102 -5.129 1.00 0.00 C ATOM 417 CE LYS A 28 -12.721 5.633 -5.887 1.00 0.00 C ATOM 418 NZ LYS A 28 -12.985 6.471 -7.090 1.00 0.00 N ATOM 0 H LYS A 28 -6.798 7.120 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.711 4.569 -4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.080 6.542 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.934 7.160 -5.857 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.280 5.410 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.145 4.439 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.596 5.857 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.409 7.187 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.587 4.595 -6.190 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.587 5.663 -5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.833 6.119 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.138 7.458 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.169 6.422 -7.733 1.00 0.00 H new ATOM 432 N GLY A 29 -7.470 3.723 -7.125 1.00 0.00 N ATOM 433 CA GLY A 29 -7.328 3.206 -8.473 1.00 0.00 C ATOM 434 C GLY A 29 -5.897 3.270 -8.971 1.00 0.00 C ATOM 435 O GLY A 29 -5.649 3.620 -10.124 1.00 0.00 O ATOM 0 H GLY A 29 -7.517 3.012 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.673 2.172 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.970 3.774 -9.146 1.00 0.00 H new ATOM 439 N ASP A 30 -4.954 2.931 -8.099 1.00 0.00 N ATOM 440 CA ASP A 30 -3.540 2.952 -8.455 1.00 0.00 C ATOM 441 C ASP A 30 -2.973 1.537 -8.512 1.00 0.00 C ATOM 442 O ASP A 30 -3.259 0.708 -7.648 1.00 0.00 O ATOM 443 CB ASP A 30 -2.751 3.792 -7.449 1.00 0.00 C ATOM 444 CG ASP A 30 -2.810 5.274 -7.760 1.00 0.00 C ATOM 445 OD1 ASP A 30 -3.925 5.789 -7.986 1.00 0.00 O ATOM 446 OD2 ASP A 30 -1.741 5.920 -7.776 1.00 0.00 O ATOM 0 H ASP A 30 -5.143 2.638 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.446 3.401 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.144 3.618 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.711 3.466 -7.444 1.00 0.00 H new ATOM 451 N ILE A 31 -2.168 1.268 -9.535 1.00 0.00 N ATOM 452 CA ILE A 31 -1.562 -0.046 -9.704 1.00 0.00 C ATOM 453 C ILE A 31 -0.175 -0.097 -9.070 1.00 0.00 C ATOM 454 O ILE A 31 0.710 0.682 -9.423 1.00 0.00 O ATOM 455 CB ILE A 31 -1.448 -0.426 -11.192 1.00 0.00 C ATOM 456 CG1 ILE A 31 -2.829 -0.415 -11.851 1.00 0.00 C ATOM 457 CG2 ILE A 31 -0.795 -1.793 -11.341 1.00 0.00 C ATOM 458 CD1 ILE A 31 -3.794 -1.411 -11.248 1.00 0.00 C ATOM 0 H ILE A 31 -1.921 1.943 -10.259 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.215 -0.762 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.821 0.311 -11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.254 0.585 -11.769 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.717 -0.628 -12.914 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.721 -2.048 -12.398 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.203 -1.769 -10.903 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.398 -2.542 -10.828 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.752 -1.348 -11.764 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.391 -2.418 -11.354 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.936 -1.186 -10.191 1.00 0.00 H new ATOM 470 N VAL A 32 0.007 -1.022 -8.133 1.00 0.00 N ATOM 471 CA VAL A 32 1.286 -1.177 -7.451 1.00 0.00 C ATOM 472 C VAL A 32 1.788 -2.614 -7.545 1.00 0.00 C ATOM 473 O VAL A 32 1.018 -3.534 -7.823 1.00 0.00 O ATOM 474 CB VAL A 32 1.184 -0.777 -5.967 1.00 0.00 C ATOM 475 CG1 VAL A 32 0.638 0.637 -5.832 1.00 0.00 C ATOM 476 CG2 VAL A 32 0.316 -1.768 -5.207 1.00 0.00 C ATOM 0 H VAL A 32 -0.715 -1.675 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 32 1.993 -0.514 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 32 2.184 -0.798 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.573 0.903 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.303 1.334 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.354 0.688 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.255 -1.470 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.684 -1.782 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.755 -2.763 -5.276 1.00 0.00 H new ATOM 486 N TYR A 33 3.082 -2.799 -7.311 1.00 0.00 N ATOM 487 CA TYR A 33 3.688 -4.124 -7.371 1.00 0.00 C ATOM 488 C TYR A 33 4.242 -4.532 -6.010 1.00 0.00 C ATOM 489 O TYR A 33 5.242 -3.985 -5.545 1.00 0.00 O ATOM 490 CB TYR A 33 4.803 -4.151 -8.418 1.00 0.00 C ATOM 491 CG TYR A 33 4.310 -4.413 -9.822 1.00 0.00 C ATOM 492 CD1 TYR A 33 3.710 -5.622 -10.155 1.00 0.00 C ATOM 493 CD2 TYR A 33 4.443 -3.452 -10.817 1.00 0.00 C ATOM 494 CE1 TYR A 33 3.259 -5.866 -11.438 1.00 0.00 C ATOM 495 CE2 TYR A 33 3.993 -3.687 -12.102 1.00 0.00 C ATOM 496 CZ TYR A 33 3.402 -4.896 -12.407 1.00 0.00 C ATOM 497 OH TYR A 33 2.953 -5.134 -13.686 1.00 0.00 O ATOM 0 H TYR A 33 3.732 -2.048 -7.078 1.00 0.00 H new ATOM 0 HA TYR A 33 2.914 -4.837 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.330 -3.197 -8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.526 -4.920 -8.147 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.594 -6.384 -9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.906 -2.505 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.797 -6.812 -11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.103 -2.929 -12.863 1.00 0.00 H new ATOM 0 HH TYR A 33 3.129 -4.349 -14.246 1.00 0.00 H new ATOM 507 N ILE A 34 3.585 -5.497 -5.376 1.00 0.00 N ATOM 508 CA ILE A 34 4.012 -5.981 -4.069 1.00 0.00 C ATOM 509 C ILE A 34 5.218 -6.905 -4.192 1.00 0.00 C ATOM 510 O ILE A 34 5.132 -7.979 -4.789 1.00 0.00 O ATOM 511 CB ILE A 34 2.876 -6.730 -3.347 1.00 0.00 C ATOM 512 CG1 ILE A 34 1.701 -5.786 -3.081 1.00 0.00 C ATOM 513 CG2 ILE A 34 3.383 -7.333 -2.046 1.00 0.00 C ATOM 514 CD1 ILE A 34 0.404 -6.505 -2.786 1.00 0.00 C ATOM 0 H ILE A 34 2.755 -5.959 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 34 4.288 -5.104 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 34 2.529 -7.539 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.948 -5.139 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.560 -5.141 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.569 -7.859 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.190 -8.033 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.754 -6.539 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.385 -5.774 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.133 -7.131 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.527 -7.129 -1.901 1.00 0.00 H new ATOM 526 N TYR A 35 6.341 -6.483 -3.622 1.00 0.00 N ATOM 527 CA TYR A 35 7.566 -7.272 -3.668 1.00 0.00 C ATOM 528 C TYR A 35 7.571 -8.334 -2.572 1.00 0.00 C ATOM 529 O TYR A 35 7.953 -9.481 -2.803 1.00 0.00 O ATOM 530 CB TYR A 35 8.788 -6.365 -3.521 1.00 0.00 C ATOM 531 CG TYR A 35 8.873 -5.287 -4.578 1.00 0.00 C ATOM 532 CD1 TYR A 35 8.490 -5.540 -5.889 1.00 0.00 C ATOM 533 CD2 TYR A 35 9.336 -4.015 -4.265 1.00 0.00 C ATOM 534 CE1 TYR A 35 8.566 -4.559 -6.858 1.00 0.00 C ATOM 535 CE2 TYR A 35 9.414 -3.027 -5.227 1.00 0.00 C ATOM 536 CZ TYR A 35 9.029 -3.304 -6.522 1.00 0.00 C ATOM 537 OH TYR A 35 9.105 -2.323 -7.484 1.00 0.00 O ATOM 0 H TYR A 35 6.428 -5.598 -3.122 1.00 0.00 H new ATOM 0 HA TYR A 35 7.609 -7.773 -4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.766 -5.896 -2.537 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.690 -6.975 -3.563 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.126 -6.521 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.640 -3.795 -3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.265 -4.773 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.775 -2.043 -4.967 1.00 0.00 H new ATOM 0 HH TYR A 35 8.409 -2.471 -8.158 1.00 0.00 H new ATOM 547 N LYS A 36 7.143 -7.942 -1.376 1.00 0.00 N ATOM 548 CA LYS A 36 7.096 -8.857 -0.243 1.00 0.00 C ATOM 549 C LYS A 36 5.853 -8.608 0.606 1.00 0.00 C ATOM 550 O LYS A 36 5.058 -7.717 0.310 1.00 0.00 O ATOM 551 CB LYS A 36 8.353 -8.703 0.617 1.00 0.00 C ATOM 552 CG LYS A 36 8.401 -7.400 1.396 1.00 0.00 C ATOM 553 CD LYS A 36 9.200 -7.547 2.679 1.00 0.00 C ATOM 554 CE LYS A 36 10.692 -7.390 2.428 1.00 0.00 C ATOM 555 NZ LYS A 36 11.434 -7.060 3.676 1.00 0.00 N ATOM 0 H LYS A 36 6.824 -6.996 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 36 7.052 -9.874 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.409 -9.537 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.232 -8.766 -0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.846 -6.621 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.387 -7.079 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.871 -6.800 3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.005 -8.524 3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.088 -8.313 2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.855 -6.604 1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.447 -6.961 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.074 -6.166 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.300 -7.822 4.371 1.00 0.00 H new ATOM 569 N GLN A 37 5.694 -9.400 1.661 1.00 0.00 N ATOM 570 CA GLN A 37 4.548 -9.264 2.553 1.00 0.00 C ATOM 571 C GLN A 37 4.999 -8.949 3.975 1.00 0.00 C ATOM 572 O GLN A 37 5.495 -9.823 4.687 1.00 0.00 O ATOM 573 CB GLN A 37 3.712 -10.545 2.542 1.00 0.00 C ATOM 574 CG GLN A 37 2.480 -10.475 3.430 1.00 0.00 C ATOM 575 CD GLN A 37 1.504 -11.604 3.165 1.00 0.00 C ATOM 576 OE1 GLN A 37 1.700 -12.408 2.253 1.00 0.00 O ATOM 577 NE2 GLN A 37 0.445 -11.671 3.963 1.00 0.00 N ATOM 0 H GLN A 37 6.344 -10.143 1.919 1.00 0.00 H new ATOM 0 HA GLN A 37 3.936 -8.436 2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.401 -10.757 1.519 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.336 -11.379 2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.788 -10.504 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.977 -9.521 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.322 -10.983 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.246 -12.410 3.833 1.00 0.00 H new ATOM 586 N ILE A 38 4.825 -7.696 4.382 1.00 0.00 N ATOM 587 CA ILE A 38 5.214 -7.267 5.720 1.00 0.00 C ATOM 588 C ILE A 38 4.458 -8.049 6.789 1.00 0.00 C ATOM 589 O ILE A 38 5.063 -8.675 7.659 1.00 0.00 O ATOM 590 CB ILE A 38 4.959 -5.762 5.924 1.00 0.00 C ATOM 591 CG1 ILE A 38 5.663 -4.951 4.834 1.00 0.00 C ATOM 592 CG2 ILE A 38 5.432 -5.328 7.303 1.00 0.00 C ATOM 593 CD1 ILE A 38 7.162 -4.867 5.016 1.00 0.00 C ATOM 0 H ILE A 38 4.417 -6.960 3.805 1.00 0.00 H new ATOM 0 HA ILE A 38 6.282 -7.463 5.817 1.00 0.00 H new ATOM 0 HB ILE A 38 3.887 -5.577 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.448 -5.398 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.250 -3.942 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.245 -4.262 7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.890 -5.887 8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.500 -5.524 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.594 -4.278 4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.387 -4.392 5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.587 -5.871 5.001 1.00 0.00 H new ATOM 605 N ASP A 39 3.132 -8.009 6.716 1.00 0.00 N ATOM 606 CA ASP A 39 2.293 -8.716 7.676 1.00 0.00 C ATOM 607 C ASP A 39 1.115 -9.389 6.977 1.00 0.00 C ATOM 608 O ASP A 39 0.980 -9.311 5.756 1.00 0.00 O ATOM 609 CB ASP A 39 1.782 -7.751 8.748 1.00 0.00 C ATOM 610 CG ASP A 39 1.380 -8.463 10.024 1.00 0.00 C ATOM 611 OD1 ASP A 39 1.784 -9.631 10.204 1.00 0.00 O ATOM 612 OD2 ASP A 39 0.662 -7.853 10.844 1.00 0.00 O ATOM 0 H ASP A 39 2.616 -7.495 6.002 1.00 0.00 H new ATOM 0 HA ASP A 39 2.899 -9.487 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.558 -7.019 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.926 -7.200 8.358 1.00 0.00 H new ATOM 617 N GLN A 40 0.267 -10.049 7.759 1.00 0.00 N ATOM 618 CA GLN A 40 -0.897 -10.736 7.214 1.00 0.00 C ATOM 619 C GLN A 40 -1.885 -9.741 6.615 1.00 0.00 C ATOM 620 O GLN A 40 -2.694 -10.095 5.758 1.00 0.00 O ATOM 621 CB GLN A 40 -1.584 -11.562 8.303 1.00 0.00 C ATOM 622 CG GLN A 40 -2.612 -12.545 7.764 1.00 0.00 C ATOM 623 CD GLN A 40 -3.644 -12.938 8.803 1.00 0.00 C ATOM 624 OE1 GLN A 40 -3.407 -13.824 9.625 1.00 0.00 O ATOM 625 NE2 GLN A 40 -4.797 -12.280 8.771 1.00 0.00 N ATOM 0 H GLN A 40 0.364 -10.122 8.772 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.556 -11.403 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.827 -12.111 8.863 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.073 -10.887 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.117 -12.103 6.905 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.102 -13.440 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.950 -11.553 8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.530 -12.502 9.445 1.00 0.00 H new ATOM 634 N ASN A 41 -1.814 -8.495 7.072 1.00 0.00 N ATOM 635 CA ASN A 41 -2.703 -7.449 6.581 1.00 0.00 C ATOM 636 C ASN A 41 -1.906 -6.270 6.033 1.00 0.00 C ATOM 637 O ASN A 41 -2.449 -5.186 5.819 1.00 0.00 O ATOM 638 CB ASN A 41 -3.633 -6.975 7.700 1.00 0.00 C ATOM 639 CG ASN A 41 -4.906 -7.795 7.781 1.00 0.00 C ATOM 640 OD1 ASN A 41 -5.331 -8.400 6.796 1.00 0.00 O ATOM 641 ND2 ASN A 41 -5.521 -7.818 8.957 1.00 0.00 N ATOM 0 H ASN A 41 -1.150 -8.185 7.782 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.302 -7.866 5.772 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.107 -7.030 8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.888 -5.928 7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.382 -8.352 9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.132 -7.301 9.746 1.00 0.00 H new ATOM 648 N TRP A 42 -0.615 -6.489 5.809 1.00 0.00 N ATOM 649 CA TRP A 42 0.258 -5.444 5.285 1.00 0.00 C ATOM 650 C TRP A 42 1.050 -5.948 4.084 1.00 0.00 C ATOM 651 O TRP A 42 1.242 -7.153 3.916 1.00 0.00 O ATOM 652 CB TRP A 42 1.215 -4.957 6.375 1.00 0.00 C ATOM 653 CG TRP A 42 0.550 -4.098 7.408 1.00 0.00 C ATOM 654 CD1 TRP A 42 -0.051 -4.518 8.560 1.00 0.00 C ATOM 655 CD2 TRP A 42 0.419 -2.673 7.381 1.00 0.00 C ATOM 656 NE1 TRP A 42 -0.548 -3.440 9.251 1.00 0.00 N ATOM 657 CE2 TRP A 42 -0.272 -2.296 8.549 1.00 0.00 C ATOM 658 CE3 TRP A 42 0.820 -1.678 6.485 1.00 0.00 C ATOM 659 CZ2 TRP A 42 -0.571 -0.968 8.842 1.00 0.00 C ATOM 660 CZ3 TRP A 42 0.522 -0.360 6.777 1.00 0.00 C ATOM 661 CH2 TRP A 42 -0.167 -0.015 7.947 1.00 0.00 C ATOM 0 H TRP A 42 -0.150 -7.380 5.982 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.367 -4.612 4.961 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.665 -5.820 6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 42 2.026 -4.394 5.912 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -0.125 -5.547 8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.042 -3.484 10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.353 -1.934 5.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.103 -0.700 9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.826 0.417 6.091 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.384 1.024 8.147 1.00 0.00 H new ATOM 672 N TYR A 43 1.507 -5.020 3.251 1.00 0.00 N ATOM 673 CA TYR A 43 2.277 -5.372 2.064 1.00 0.00 C ATOM 674 C TYR A 43 3.360 -4.332 1.789 1.00 0.00 C ATOM 675 O TYR A 43 3.440 -3.310 2.469 1.00 0.00 O ATOM 676 CB TYR A 43 1.354 -5.496 0.850 1.00 0.00 C ATOM 677 CG TYR A 43 0.574 -6.790 0.812 1.00 0.00 C ATOM 678 CD1 TYR A 43 1.225 -8.017 0.833 1.00 0.00 C ATOM 679 CD2 TYR A 43 -0.814 -6.786 0.758 1.00 0.00 C ATOM 680 CE1 TYR A 43 0.516 -9.202 0.798 1.00 0.00 C ATOM 681 CE2 TYR A 43 -1.532 -7.966 0.724 1.00 0.00 C ATOM 682 CZ TYR A 43 -0.862 -9.172 0.744 1.00 0.00 C ATOM 683 OH TYR A 43 -1.572 -10.350 0.710 1.00 0.00 O ATOM 0 H TYR A 43 1.358 -4.019 3.376 1.00 0.00 H new ATOM 0 HA TYR A 43 2.759 -6.333 2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.655 -4.660 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.950 -5.414 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.304 -8.045 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.341 -5.844 0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.038 -10.147 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.611 -7.944 0.682 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.531 -10.153 0.674 1.00 0.00 H new ATOM 693 N GLU A 44 4.190 -4.603 0.787 1.00 0.00 N ATOM 694 CA GLU A 44 5.268 -3.692 0.422 1.00 0.00 C ATOM 695 C GLU A 44 5.543 -3.747 -1.078 1.00 0.00 C ATOM 696 O GLU A 44 5.849 -4.805 -1.626 1.00 0.00 O ATOM 697 CB GLU A 44 6.542 -4.036 1.198 1.00 0.00 C ATOM 698 CG GLU A 44 7.794 -3.388 0.631 1.00 0.00 C ATOM 699 CD GLU A 44 8.976 -3.478 1.576 1.00 0.00 C ATOM 700 OE1 GLU A 44 8.926 -2.846 2.652 1.00 0.00 O ATOM 701 OE2 GLU A 44 9.951 -4.182 1.240 1.00 0.00 O ATOM 0 H GLU A 44 4.137 -5.445 0.214 1.00 0.00 H new ATOM 0 HA GLU A 44 4.956 -2.680 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.420 -3.725 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.673 -5.118 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.051 -3.868 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.589 -2.340 0.411 1.00 0.00 H new ATOM 708 N GLY A 45 5.432 -2.598 -1.737 1.00 0.00 N ATOM 709 CA GLY A 45 5.670 -2.536 -3.168 1.00 0.00 C ATOM 710 C GLY A 45 6.299 -1.225 -3.595 1.00 0.00 C ATOM 711 O GLY A 45 7.022 -0.596 -2.823 1.00 0.00 O ATOM 0 H GLY A 45 5.181 -1.708 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.321 -3.360 -3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.726 -2.672 -3.696 1.00 0.00 H new ATOM 715 N GLU A 46 6.024 -0.813 -4.828 1.00 0.00 N ATOM 716 CA GLU A 46 6.570 0.432 -5.357 1.00 0.00 C ATOM 717 C GLU A 46 5.478 1.268 -6.017 1.00 0.00 C ATOM 718 O GLU A 46 4.517 0.731 -6.568 1.00 0.00 O ATOM 719 CB GLU A 46 7.683 0.138 -6.365 1.00 0.00 C ATOM 720 CG GLU A 46 8.474 1.369 -6.775 1.00 0.00 C ATOM 721 CD GLU A 46 9.565 1.054 -7.779 1.00 0.00 C ATOM 722 OE1 GLU A 46 10.652 0.610 -7.354 1.00 0.00 O ATOM 723 OE2 GLU A 46 9.333 1.253 -8.990 1.00 0.00 O ATOM 0 H GLU A 46 5.427 -1.322 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 46 6.984 1.000 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.365 -0.596 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.246 -0.315 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.795 2.107 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.920 1.821 -5.889 1.00 0.00 H new ATOM 730 N HIS A 47 5.634 2.587 -5.958 1.00 0.00 N ATOM 731 CA HIS A 47 4.662 3.499 -6.550 1.00 0.00 C ATOM 732 C HIS A 47 5.290 4.864 -6.816 1.00 0.00 C ATOM 733 O HIS A 47 5.720 5.552 -5.890 1.00 0.00 O ATOM 734 CB HIS A 47 3.450 3.653 -5.631 1.00 0.00 C ATOM 735 CG HIS A 47 2.302 4.373 -6.269 1.00 0.00 C ATOM 736 ND1 HIS A 47 1.746 5.519 -5.741 1.00 0.00 N ATOM 737 CD2 HIS A 47 1.607 4.106 -7.400 1.00 0.00 C ATOM 738 CE1 HIS A 47 0.757 5.924 -6.518 1.00 0.00 C ATOM 739 NE2 HIS A 47 0.652 5.084 -7.532 1.00 0.00 N ATOM 0 H HIS A 47 6.424 3.048 -5.506 1.00 0.00 H new ATOM 0 HA HIS A 47 4.336 3.077 -7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.117 2.665 -5.314 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.752 4.191 -4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.773 3.278 -8.073 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.139 6.794 -6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.028 5.151 -8.290 1.00 0.00 H new ATOM 748 N HIS A 48 5.339 5.250 -8.087 1.00 0.00 N ATOM 749 CA HIS A 48 5.914 6.533 -8.475 1.00 0.00 C ATOM 750 C HIS A 48 7.376 6.625 -8.047 1.00 0.00 C ATOM 751 O HIS A 48 7.823 7.655 -7.545 1.00 0.00 O ATOM 752 CB HIS A 48 5.117 7.682 -7.856 1.00 0.00 C ATOM 753 CG HIS A 48 5.237 8.970 -8.610 1.00 0.00 C ATOM 754 ND1 HIS A 48 5.644 10.150 -8.025 1.00 0.00 N ATOM 755 CD2 HIS A 48 5.001 9.258 -9.912 1.00 0.00 C ATOM 756 CE1 HIS A 48 5.653 11.109 -8.933 1.00 0.00 C ATOM 757 NE2 HIS A 48 5.267 10.594 -10.087 1.00 0.00 N ATOM 0 H HIS A 48 4.987 4.693 -8.866 1.00 0.00 H new ATOM 0 HA HIS A 48 5.865 6.611 -9.561 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.066 7.398 -7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.456 7.837 -6.832 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.666 8.566 -10.671 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.929 12.139 -8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 48 5.181 11.106 -10.965 1.00 0.00 H new ATOM 766 N GLY A 49 8.116 5.539 -8.250 1.00 0.00 N ATOM 767 CA GLY A 49 9.519 5.517 -7.879 1.00 0.00 C ATOM 768 C GLY A 49 9.723 5.596 -6.379 1.00 0.00 C ATOM 769 O GLY A 49 10.729 6.128 -5.910 1.00 0.00 O ATOM 0 H GLY A 49 7.769 4.674 -8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.977 4.603 -8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.031 6.352 -8.357 1.00 0.00 H new ATOM 773 N ARG A 50 8.766 5.066 -5.624 1.00 0.00 N ATOM 774 CA ARG A 50 8.844 5.082 -4.168 1.00 0.00 C ATOM 775 C ARG A 50 8.489 3.715 -3.590 1.00 0.00 C ATOM 776 O ARG A 50 7.555 3.058 -4.051 1.00 0.00 O ATOM 777 CB ARG A 50 7.907 6.148 -3.597 1.00 0.00 C ATOM 778 CG ARG A 50 8.325 6.653 -2.226 1.00 0.00 C ATOM 779 CD ARG A 50 7.811 8.062 -1.972 1.00 0.00 C ATOM 780 NE ARG A 50 8.499 8.702 -0.854 1.00 0.00 N ATOM 781 CZ ARG A 50 8.227 9.931 -0.430 1.00 0.00 C ATOM 782 NH1 ARG A 50 7.285 10.648 -1.026 1.00 0.00 N ATOM 783 NH2 ARG A 50 8.897 10.445 0.594 1.00 0.00 N ATOM 0 H ARG A 50 7.928 4.620 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 50 9.869 5.322 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.864 6.990 -4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.899 5.737 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.943 5.981 -1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.412 6.641 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.943 8.664 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.741 8.026 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 50 9.228 8.176 -0.372 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.767 10.256 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.078 11.592 -0.698 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.622 9.896 1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.687 11.389 0.919 1.00 0.00 H new ATOM 797 N VAL A 51 9.241 3.292 -2.579 1.00 0.00 N ATOM 798 CA VAL A 51 9.005 2.004 -1.938 1.00 0.00 C ATOM 799 C VAL A 51 8.547 2.185 -0.495 1.00 0.00 C ATOM 800 O VAL A 51 9.005 3.086 0.206 1.00 0.00 O ATOM 801 CB VAL A 51 10.272 1.128 -1.956 1.00 0.00 C ATOM 802 CG1 VAL A 51 10.031 -0.175 -1.210 1.00 0.00 C ATOM 803 CG2 VAL A 51 10.713 0.860 -3.387 1.00 0.00 C ATOM 0 H VAL A 51 10.019 3.822 -2.186 1.00 0.00 H new ATOM 0 HA VAL A 51 8.219 1.506 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 51 11.073 1.666 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.937 -0.781 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.766 0.042 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.217 -0.722 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.609 0.240 -3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.917 0.342 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.929 1.806 -3.884 1.00 0.00 H new ATOM 813 N GLY A 52 7.637 1.319 -0.057 1.00 0.00 N ATOM 814 CA GLY A 52 7.131 1.400 1.301 1.00 0.00 C ATOM 815 C GLY A 52 6.166 0.277 1.628 1.00 0.00 C ATOM 816 O GLY A 52 6.138 -0.745 0.942 1.00 0.00 O ATOM 0 H GLY A 52 7.242 0.564 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.967 1.371 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.630 2.358 1.442 1.00 0.00 H new ATOM 820 N ILE A 53 5.376 0.465 2.679 1.00 0.00 N ATOM 821 CA ILE A 53 4.406 -0.541 3.095 1.00 0.00 C ATOM 822 C ILE A 53 2.997 0.039 3.139 1.00 0.00 C ATOM 823 O ILE A 53 2.813 1.239 3.345 1.00 0.00 O ATOM 824 CB ILE A 53 4.755 -1.120 4.479 1.00 0.00 C ATOM 825 CG1 ILE A 53 4.499 -0.078 5.570 1.00 0.00 C ATOM 826 CG2 ILE A 53 6.203 -1.583 4.510 1.00 0.00 C ATOM 827 CD1 ILE A 53 4.489 -0.657 6.968 1.00 0.00 C ATOM 0 H ILE A 53 5.388 1.304 3.258 1.00 0.00 H new ATOM 0 HA ILE A 53 4.443 -1.341 2.356 1.00 0.00 H new ATOM 0 HB ILE A 53 4.115 -1.982 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.266 0.694 5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.542 0.408 5.380 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.434 -1.989 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.355 -2.354 3.754 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.860 -0.738 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.302 0.138 7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.704 -1.409 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.454 -1.118 7.178 1.00 0.00 H new ATOM 839 N PHE A 54 2.003 -0.822 2.945 1.00 0.00 N ATOM 840 CA PHE A 54 0.608 -0.396 2.963 1.00 0.00 C ATOM 841 C PHE A 54 -0.307 -1.547 3.369 1.00 0.00 C ATOM 842 O PHE A 54 -0.035 -2.716 3.096 1.00 0.00 O ATOM 843 CB PHE A 54 0.197 0.137 1.589 1.00 0.00 C ATOM 844 CG PHE A 54 0.672 -0.718 0.449 1.00 0.00 C ATOM 845 CD1 PHE A 54 1.924 -0.519 -0.110 1.00 0.00 C ATOM 846 CD2 PHE A 54 -0.135 -1.721 -0.064 1.00 0.00 C ATOM 847 CE1 PHE A 54 2.362 -1.304 -1.160 1.00 0.00 C ATOM 848 CE2 PHE A 54 0.298 -2.510 -1.114 1.00 0.00 C ATOM 849 CZ PHE A 54 1.549 -2.301 -1.661 1.00 0.00 C ATOM 0 H PHE A 54 2.138 -1.818 2.774 1.00 0.00 H new ATOM 0 HA PHE A 54 0.508 0.402 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.890 0.213 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.592 1.145 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.565 0.258 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.114 -1.888 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.339 -1.138 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.341 -3.288 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.891 -2.917 -2.480 1.00 0.00 H new ATOM 859 N PRO A 55 -1.420 -1.210 4.039 1.00 0.00 N ATOM 860 CA PRO A 55 -2.398 -2.200 4.498 1.00 0.00 C ATOM 861 C PRO A 55 -3.167 -2.833 3.343 1.00 0.00 C ATOM 862 O PRO A 55 -3.549 -2.151 2.392 1.00 0.00 O ATOM 863 CB PRO A 55 -3.341 -1.383 5.384 1.00 0.00 C ATOM 864 CG PRO A 55 -3.226 0.012 4.874 1.00 0.00 C ATOM 865 CD PRO A 55 -1.808 0.164 4.399 1.00 0.00 C ATOM 0 HA PRO A 55 -1.922 -3.034 5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.366 -1.747 5.313 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.052 -1.446 6.433 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.931 0.190 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.454 0.734 5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.740 0.838 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.165 0.572 5.178 1.00 0.00 H new ATOM 873 N ARG A 56 -3.391 -4.140 3.433 1.00 0.00 N ATOM 874 CA ARG A 56 -4.114 -4.865 2.395 1.00 0.00 C ATOM 875 C ARG A 56 -5.558 -4.380 2.299 1.00 0.00 C ATOM 876 O ARG A 56 -6.093 -4.201 1.204 1.00 0.00 O ATOM 877 CB ARG A 56 -4.088 -6.367 2.680 1.00 0.00 C ATOM 878 CG ARG A 56 -5.010 -7.174 1.780 1.00 0.00 C ATOM 879 CD ARG A 56 -5.358 -8.518 2.400 1.00 0.00 C ATOM 880 NE ARG A 56 -6.263 -9.293 1.556 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.558 -9.026 1.427 1.00 0.00 C ATOM 882 NH1 ARG A 56 -8.097 -8.009 2.086 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.316 -9.778 0.639 1.00 0.00 N ATOM 0 H ARG A 56 -3.082 -4.719 4.214 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.620 -4.674 1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.068 -6.733 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.370 -6.536 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.924 -6.610 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.531 -7.331 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.444 -9.087 2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.819 -8.359 3.375 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.880 -10.083 1.037 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.517 -7.430 2.693 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.091 -7.806 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.904 -10.562 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.310 -9.573 0.540 1.00 0.00 H new ATOM 897 N THR A 57 -6.184 -4.168 3.452 1.00 0.00 N ATOM 898 CA THR A 57 -7.566 -3.706 3.499 1.00 0.00 C ATOM 899 C THR A 57 -7.754 -2.452 2.653 1.00 0.00 C ATOM 900 O THR A 57 -8.877 -2.097 2.293 1.00 0.00 O ATOM 901 CB THR A 57 -8.010 -3.409 4.943 1.00 0.00 C ATOM 902 OG1 THR A 57 -7.308 -4.259 5.857 1.00 0.00 O ATOM 903 CG2 THR A 57 -9.509 -3.614 5.101 1.00 0.00 C ATOM 0 H THR A 57 -5.756 -4.309 4.367 1.00 0.00 H new ATOM 0 HA THR A 57 -8.183 -4.509 3.096 1.00 0.00 H new ATOM 0 HB THR A 57 -7.776 -2.368 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.595 -4.062 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.799 -3.398 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.041 -2.944 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.762 -4.647 4.862 1.00 0.00 H new ATOM 911 N TYR A 58 -6.650 -1.785 2.338 1.00 0.00 N ATOM 912 CA TYR A 58 -6.694 -0.569 1.535 1.00 0.00 C ATOM 913 C TYR A 58 -6.597 -0.894 0.047 1.00 0.00 C ATOM 914 O TYR A 58 -7.176 -0.201 -0.790 1.00 0.00 O ATOM 915 CB TYR A 58 -5.559 0.375 1.937 1.00 0.00 C ATOM 916 CG TYR A 58 -5.908 1.282 3.095 1.00 0.00 C ATOM 917 CD1 TYR A 58 -6.201 0.759 4.349 1.00 0.00 C ATOM 918 CD2 TYR A 58 -5.945 2.662 2.936 1.00 0.00 C ATOM 919 CE1 TYR A 58 -6.521 1.584 5.410 1.00 0.00 C ATOM 920 CE2 TYR A 58 -6.263 3.495 3.991 1.00 0.00 C ATOM 921 CZ TYR A 58 -6.550 2.951 5.226 1.00 0.00 C ATOM 922 OH TYR A 58 -6.868 3.777 6.280 1.00 0.00 O ATOM 0 H TYR A 58 -5.713 -2.066 2.627 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.649 -0.077 1.720 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.682 -0.216 2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.284 0.986 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -6.178 -0.311 4.497 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.721 3.091 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.747 1.161 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.287 4.565 3.850 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.843 4.711 5.983 1.00 0.00 H new ATOM 932 N ILE A 59 -5.862 -1.953 -0.273 1.00 0.00 N ATOM 933 CA ILE A 59 -5.689 -2.372 -1.658 1.00 0.00 C ATOM 934 C ILE A 59 -6.425 -3.680 -1.933 1.00 0.00 C ATOM 935 O ILE A 59 -7.130 -4.199 -1.068 1.00 0.00 O ATOM 936 CB ILE A 59 -4.201 -2.550 -2.012 1.00 0.00 C ATOM 937 CG1 ILE A 59 -3.607 -3.727 -1.236 1.00 0.00 C ATOM 938 CG2 ILE A 59 -3.430 -1.272 -1.718 1.00 0.00 C ATOM 939 CD1 ILE A 59 -3.753 -5.055 -1.946 1.00 0.00 C ATOM 0 H ILE A 59 -5.377 -2.537 0.408 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.110 -1.582 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.119 -2.763 -3.078 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.549 -3.535 -1.055 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.091 -3.790 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.380 -1.414 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.841 -0.455 -2.311 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.516 -1.031 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.310 -5.843 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.810 -5.269 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.245 -5.010 -2.909 1.00 0.00 H new ATOM 951 N GLU A 60 -6.255 -4.206 -3.141 1.00 0.00 N ATOM 952 CA GLU A 60 -6.902 -5.454 -3.529 1.00 0.00 C ATOM 953 C GLU A 60 -6.010 -6.262 -4.466 1.00 0.00 C ATOM 954 O GLU A 60 -5.450 -5.727 -5.424 1.00 0.00 O ATOM 955 CB GLU A 60 -8.245 -5.169 -4.205 1.00 0.00 C ATOM 956 CG GLU A 60 -8.129 -4.299 -5.445 1.00 0.00 C ATOM 957 CD GLU A 60 -9.465 -4.073 -6.126 1.00 0.00 C ATOM 958 OE1 GLU A 60 -10.485 -3.972 -5.413 1.00 0.00 O ATOM 959 OE2 GLU A 60 -9.490 -3.997 -7.373 1.00 0.00 O ATOM 0 H GLU A 60 -5.675 -3.788 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.074 -6.040 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.713 -6.115 -4.477 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.906 -4.681 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.698 -3.336 -5.170 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.441 -4.767 -6.149 1.00 0.00 H new ATOM 966 N LEU A 61 -5.880 -7.553 -4.183 1.00 0.00 N ATOM 967 CA LEU A 61 -5.056 -8.437 -4.999 1.00 0.00 C ATOM 968 C LEU A 61 -5.754 -8.775 -6.313 1.00 0.00 C ATOM 969 O LEU A 61 -6.601 -9.668 -6.366 1.00 0.00 O ATOM 970 CB LEU A 61 -4.737 -9.722 -4.233 1.00 0.00 C ATOM 971 CG LEU A 61 -3.546 -9.654 -3.276 1.00 0.00 C ATOM 972 CD1 LEU A 61 -3.506 -10.888 -2.386 1.00 0.00 C ATOM 973 CD2 LEU A 61 -2.245 -9.511 -4.051 1.00 0.00 C ATOM 0 H LEU A 61 -6.335 -8.011 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.126 -7.917 -5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.620 -10.010 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.552 -10.516 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.665 -8.776 -2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.652 -10.823 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.425 -10.946 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.412 -11.780 -3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.409 -9.464 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.119 -10.369 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.274 -8.597 -4.645 1.00 0.00 H new ATOM 985 N LEU A 62 -5.393 -8.057 -7.370 1.00 0.00 N ATOM 986 CA LEU A 62 -5.984 -8.282 -8.685 1.00 0.00 C ATOM 987 C LEU A 62 -5.706 -9.701 -9.172 1.00 0.00 C ATOM 988 O LEU A 62 -4.726 -9.946 -9.875 1.00 0.00 O ATOM 989 CB LEU A 62 -5.436 -7.269 -9.692 1.00 0.00 C ATOM 990 CG LEU A 62 -5.618 -5.795 -9.329 1.00 0.00 C ATOM 991 CD1 LEU A 62 -4.703 -4.920 -10.171 1.00 0.00 C ATOM 992 CD2 LEU A 62 -7.071 -5.378 -9.507 1.00 0.00 C ATOM 0 H LEU A 62 -4.694 -7.314 -7.343 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.063 -8.152 -8.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.371 -7.460 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.916 -7.447 -10.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.348 -5.663 -8.281 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.847 -3.875 -9.898 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.665 -5.202 -9.993 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.940 -5.055 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.182 -4.326 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.367 -5.526 -10.545 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.705 -5.983 -8.859 1.00 0.00 H new ATOM 1004 N SER A 63 -6.576 -10.631 -8.793 1.00 0.00 N ATOM 1005 CA SER A 63 -6.424 -12.027 -9.189 1.00 0.00 C ATOM 1006 C SER A 63 -7.762 -12.618 -9.622 1.00 0.00 C ATOM 1007 O SER A 63 -8.792 -12.377 -8.994 1.00 0.00 O ATOM 1008 CB SER A 63 -5.841 -12.845 -8.036 1.00 0.00 C ATOM 1009 OG SER A 63 -6.596 -12.666 -6.850 1.00 0.00 O ATOM 0 H SER A 63 -7.393 -10.444 -8.212 1.00 0.00 H new ATOM 0 HA SER A 63 -5.739 -12.066 -10.036 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.827 -13.901 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.807 -12.547 -7.861 1.00 0.00 H new ATOM 0 HG SER A 63 -6.533 -11.732 -6.560 1.00 0.00 H new ATOM 1015 N GLY A 64 -7.738 -13.394 -10.702 1.00 0.00 N ATOM 1016 CA GLY A 64 -8.954 -14.007 -11.201 1.00 0.00 C ATOM 1017 C GLY A 64 -8.784 -15.488 -11.480 1.00 0.00 C ATOM 1018 O GLY A 64 -8.580 -15.907 -12.620 1.00 0.00 O ATOM 0 H GLY A 64 -6.898 -13.608 -11.239 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.753 -13.867 -10.473 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.264 -13.501 -12.116 1.00 0.00 H new ATOM 1022 N PRO A 65 -8.866 -16.307 -10.422 1.00 0.00 N ATOM 1023 CA PRO A 65 -8.722 -17.761 -10.533 1.00 0.00 C ATOM 1024 C PRO A 65 -9.903 -18.408 -11.248 1.00 0.00 C ATOM 1025 O PRO A 65 -11.023 -18.411 -10.739 1.00 0.00 O ATOM 1026 CB PRO A 65 -8.661 -18.224 -9.075 1.00 0.00 C ATOM 1027 CG PRO A 65 -9.380 -17.166 -8.311 1.00 0.00 C ATOM 1028 CD PRO A 65 -9.107 -15.876 -9.034 1.00 0.00 C ATOM 0 HA PRO A 65 -7.847 -18.040 -11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.137 -19.196 -8.948 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.630 -18.327 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.450 -17.372 -8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.026 -17.119 -7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.952 -15.191 -8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.243 -15.358 -8.618 1.00 0.00 H new ATOM 1036 N SER A 66 -9.644 -18.955 -12.432 1.00 0.00 N ATOM 1037 CA SER A 66 -10.687 -19.602 -13.219 1.00 0.00 C ATOM 1038 C SER A 66 -11.207 -20.850 -12.511 1.00 0.00 C ATOM 1039 O SER A 66 -12.406 -20.987 -12.272 1.00 0.00 O ATOM 1040 CB SER A 66 -10.154 -19.973 -14.605 1.00 0.00 C ATOM 1041 OG SER A 66 -11.196 -20.441 -15.444 1.00 0.00 O ATOM 0 H SER A 66 -8.721 -18.963 -12.867 1.00 0.00 H new ATOM 0 HA SER A 66 -11.512 -18.899 -13.331 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.679 -19.104 -15.060 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.387 -20.742 -14.509 1.00 0.00 H new ATOM 0 HG SER A 66 -10.830 -20.670 -16.324 1.00 0.00 H new ATOM 1047 N SER A 67 -10.294 -21.758 -12.179 1.00 0.00 N ATOM 1048 CA SER A 67 -10.659 -22.996 -11.502 1.00 0.00 C ATOM 1049 C SER A 67 -11.534 -22.712 -10.284 1.00 0.00 C ATOM 1050 O SER A 67 -11.241 -21.819 -9.491 1.00 0.00 O ATOM 1051 CB SER A 67 -9.404 -23.759 -11.076 1.00 0.00 C ATOM 1052 OG SER A 67 -8.625 -24.128 -12.201 1.00 0.00 O ATOM 0 H SER A 67 -9.297 -21.659 -12.368 1.00 0.00 H new ATOM 0 HA SER A 67 -11.228 -23.609 -12.201 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.809 -23.140 -10.405 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.689 -24.651 -10.518 1.00 0.00 H new ATOM 0 HG SER A 67 -7.828 -24.613 -11.902 1.00 0.00 H new ATOM 1058 N GLY A 68 -12.610 -23.481 -10.144 1.00 0.00 N ATOM 1059 CA GLY A 68 -13.511 -23.297 -9.021 1.00 0.00 C ATOM 1060 C GLY A 68 -14.449 -24.473 -8.832 1.00 0.00 C ATOM 1061 O GLY A 68 -14.116 -25.604 -9.185 1.00 0.00 O ATOM 0 H GLY A 68 -12.873 -24.227 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.928 -23.151 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.096 -22.390 -9.173 1.00 0.00 H new TER 1065 GLY A 68