USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 SER N :NH3+ -172:sc= -0.13 (180deg=-0.215) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.052) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= -0.0389 (180deg=-0.4) USER MOD Single : A 19 THR OG1 : rot 68:sc= 0.978 USER MOD Single : A 20 ASN : amide:sc= -2.92! X(o=-2.9!,f=-2.7) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00647 USER MOD Single : A 26 ASN : amide:sc= -4.48! C(o=-4.5!,f=-9.5!) USER MOD Single : A 27 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.58) USER MOD Single : A 36 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.59) USER MOD Single : A 38 SER OG : rot -49:sc= 0.0316 USER MOD Single : A 39 ASN : amide:sc= -1.82! C(o=-1.8!,f=-8.1!) USER MOD Single : A 41 THR OG1 : rot 150:sc= 0.403 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.030 8.968 11.154 1.00 0.00 N ATOM 2 CA SER A 1 8.611 10.304 11.086 1.00 0.00 C ATOM 3 C SER A 1 9.910 10.292 10.286 1.00 0.00 C ATOM 4 O SER A 1 10.411 11.341 9.880 1.00 0.00 O ATOM 5 CB SER A 1 8.871 10.841 12.494 1.00 0.00 C ATOM 6 OG SER A 1 7.716 10.725 13.307 1.00 0.00 O ATOM 0 H1 SER A 1 7.084 9.022 11.583 1.00 0.00 H new ATOM 0 H2 SER A 1 7.953 8.574 10.195 1.00 0.00 H new ATOM 0 H3 SER A 1 8.638 8.354 11.733 1.00 0.00 H new ATOM 0 HA SER A 1 7.900 10.958 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.696 10.293 12.949 1.00 0.00 H new ATOM 0 HB3 SER A 1 9.176 11.886 12.437 1.00 0.00 H new ATOM 0 HG SER A 1 7.910 11.074 14.202 1.00 0.00 H new ATOM 12 N ASP A 2 10.449 9.099 10.064 1.00 0.00 N ATOM 13 CA ASP A 2 11.690 8.948 9.312 1.00 0.00 C ATOM 14 C ASP A 2 11.425 8.317 7.948 1.00 0.00 C ATOM 15 O ASP A 2 12.350 8.088 7.170 1.00 0.00 O ATOM 16 CB ASP A 2 12.688 8.097 10.098 1.00 0.00 C ATOM 17 CG ASP A 2 12.993 8.678 11.465 1.00 0.00 C ATOM 18 OD1 ASP A 2 14.184 8.713 11.842 1.00 0.00 O ATOM 19 OD2 ASP A 2 12.043 9.097 12.156 1.00 0.00 O ATOM 0 H ASP A 2 10.047 8.222 10.394 1.00 0.00 H new ATOM 0 HA ASP A 2 12.115 9.940 9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.289 7.090 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.614 8.009 9.529 1.00 0.00 H new ATOM 24 N ARG A 3 10.157 8.036 7.668 1.00 0.00 N ATOM 25 CA ARG A 3 9.771 7.428 6.400 1.00 0.00 C ATOM 26 C ARG A 3 9.989 5.918 6.433 1.00 0.00 C ATOM 27 O ARG A 3 10.815 5.382 5.694 1.00 0.00 O ATOM 28 CB ARG A 3 10.571 8.044 5.251 1.00 0.00 C ATOM 29 CG ARG A 3 10.802 9.539 5.403 1.00 0.00 C ATOM 30 CD ARG A 3 10.169 10.319 4.262 1.00 0.00 C ATOM 31 NE ARG A 3 10.747 11.653 4.124 1.00 0.00 N ATOM 32 CZ ARG A 3 10.456 12.667 4.934 1.00 0.00 C ATOM 33 NH1 ARG A 3 9.600 12.499 5.931 1.00 0.00 N ATOM 34 NH2 ARG A 3 11.022 13.852 4.744 1.00 0.00 N ATOM 0 H ARG A 3 9.379 8.220 8.302 1.00 0.00 H new ATOM 0 HA ARG A 3 8.710 7.622 6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.535 7.541 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.046 7.859 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.386 9.878 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.873 9.742 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.300 9.769 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.096 10.405 4.433 1.00 0.00 H new ATOM 0 HE ARG A 3 11.409 11.816 3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.162 11.590 6.079 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.379 13.279 6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 3 11.680 13.986 3.977 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.799 14.629 5.365 1.00 0.00 H new ATOM 48 N THR A 4 9.242 5.237 7.296 1.00 0.00 N ATOM 49 CA THR A 4 9.353 3.789 7.427 1.00 0.00 C ATOM 50 C THR A 4 8.076 3.095 6.969 1.00 0.00 C ATOM 51 O THR A 4 6.974 3.615 7.152 1.00 0.00 O ATOM 52 CB THR A 4 9.654 3.378 8.881 1.00 0.00 C ATOM 53 OG1 THR A 4 9.918 4.541 9.674 1.00 0.00 O ATOM 54 CG2 THR A 4 10.846 2.436 8.941 1.00 0.00 C ATOM 0 H THR A 4 8.553 5.665 7.915 1.00 0.00 H new ATOM 0 HA THR A 4 10.181 3.477 6.790 1.00 0.00 H new ATOM 0 HB THR A 4 8.781 2.859 9.277 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.107 4.272 10.597 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.039 2.160 9.977 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.630 1.539 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.724 2.933 8.528 1.00 0.00 H new ATOM 62 N CYS A 5 8.229 1.918 6.372 1.00 0.00 N ATOM 63 CA CYS A 5 7.087 1.152 5.887 1.00 0.00 C ATOM 64 C CYS A 5 5.956 1.155 6.910 1.00 0.00 C ATOM 65 O CYS A 5 6.193 1.255 8.113 1.00 0.00 O ATOM 66 CB CYS A 5 7.506 -0.287 5.579 1.00 0.00 C ATOM 67 SG CYS A 5 6.324 -1.198 4.534 1.00 0.00 S ATOM 0 H CYS A 5 9.133 1.474 6.212 1.00 0.00 H new ATOM 0 HA CYS A 5 6.727 1.623 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.477 -0.273 5.084 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.635 -0.826 6.518 1.00 0.00 H new ATOM 72 N ALA A 6 4.724 1.045 6.422 1.00 0.00 N ATOM 73 CA ALA A 6 3.555 1.034 7.293 1.00 0.00 C ATOM 74 C ALA A 6 3.071 -0.391 7.542 1.00 0.00 C ATOM 75 O ALA A 6 1.960 -0.602 8.031 1.00 0.00 O ATOM 76 CB ALA A 6 2.440 1.875 6.691 1.00 0.00 C ATOM 0 H ALA A 6 4.510 0.962 5.428 1.00 0.00 H new ATOM 0 HA ALA A 6 3.842 1.466 8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.574 1.858 7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.784 2.902 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.162 1.469 5.718 1.00 0.00 H new ATOM 82 N ARG A 7 3.909 -1.364 7.203 1.00 0.00 N ATOM 83 CA ARG A 7 3.564 -2.769 7.387 1.00 0.00 C ATOM 84 C ARG A 7 4.756 -3.556 7.923 1.00 0.00 C ATOM 85 O ARG A 7 4.602 -4.446 8.759 1.00 0.00 O ATOM 86 CB ARG A 7 3.090 -3.377 6.066 1.00 0.00 C ATOM 87 CG ARG A 7 1.964 -2.599 5.406 1.00 0.00 C ATOM 88 CD ARG A 7 0.661 -2.740 6.180 1.00 0.00 C ATOM 89 NE ARG A 7 0.364 -4.134 6.500 1.00 0.00 N ATOM 90 CZ ARG A 7 -0.421 -4.505 7.506 1.00 0.00 C ATOM 91 NH1 ARG A 7 -0.982 -3.591 8.285 1.00 0.00 N ATOM 92 NH2 ARG A 7 -0.645 -5.793 7.734 1.00 0.00 N ATOM 0 H ARG A 7 4.832 -1.206 6.799 1.00 0.00 H new ATOM 0 HA ARG A 7 2.756 -2.826 8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.934 -3.432 5.378 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.757 -4.399 6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.237 -1.546 5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.823 -2.956 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.722 -2.161 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.156 -2.320 5.594 1.00 0.00 H new ATOM 0 HE ARG A 7 0.782 -4.862 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.812 -2.600 8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.584 -3.879 9.056 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.214 -6.499 7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.248 -6.077 8.506 1.00 0.00 H new ATOM 106 N CYS A 8 5.946 -3.220 7.436 1.00 0.00 N ATOM 107 CA CYS A 8 7.166 -3.895 7.864 1.00 0.00 C ATOM 108 C CYS A 8 8.093 -2.929 8.596 1.00 0.00 C ATOM 109 O CYS A 8 9.132 -3.329 9.123 1.00 0.00 O ATOM 110 CB CYS A 8 7.890 -4.499 6.659 1.00 0.00 C ATOM 111 SG CYS A 8 8.587 -3.265 5.514 1.00 0.00 S ATOM 0 H CYS A 8 6.092 -2.484 6.745 1.00 0.00 H new ATOM 0 HA CYS A 8 6.887 -4.695 8.550 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.694 -5.142 7.017 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.194 -5.134 6.111 1.00 0.00 H new ATOM 116 N GLN A 9 7.711 -1.657 8.625 1.00 0.00 N ATOM 117 CA GLN A 9 8.508 -0.635 9.292 1.00 0.00 C ATOM 118 C GLN A 9 9.964 -0.700 8.842 1.00 0.00 C ATOM 119 O GLN A 9 10.868 -0.870 9.659 1.00 0.00 O ATOM 120 CB GLN A 9 8.423 -0.801 10.810 1.00 0.00 C ATOM 121 CG GLN A 9 7.350 0.059 11.457 1.00 0.00 C ATOM 122 CD GLN A 9 7.910 1.329 12.068 1.00 0.00 C ATOM 123 OE1 GLN A 9 8.601 1.290 13.086 1.00 0.00 O ATOM 124 NE2 GLN A 9 7.614 2.465 11.448 1.00 0.00 N ATOM 0 H GLN A 9 6.854 -1.309 8.194 1.00 0.00 H new ATOM 0 HA GLN A 9 8.105 0.340 9.018 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.227 -1.848 11.042 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.389 -0.553 11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.600 0.320 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.844 -0.519 12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.038 2.452 10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.963 3.351 11.813 1.00 0.00 H new ATOM 133 N GLU A 10 10.182 -0.564 7.537 1.00 0.00 N ATOM 134 CA GLU A 10 11.528 -0.610 6.980 1.00 0.00 C ATOM 135 C GLU A 10 11.944 0.759 6.449 1.00 0.00 C ATOM 136 O GLU A 10 11.099 1.589 6.112 1.00 0.00 O ATOM 137 CB GLU A 10 11.605 -1.648 5.859 1.00 0.00 C ATOM 138 CG GLU A 10 11.804 -3.069 6.358 1.00 0.00 C ATOM 139 CD GLU A 10 11.899 -4.077 5.229 1.00 0.00 C ATOM 140 OE1 GLU A 10 12.485 -5.157 5.446 1.00 0.00 O ATOM 141 OE2 GLU A 10 11.387 -3.784 4.128 1.00 0.00 O ATOM 0 H GLU A 10 9.444 -0.421 6.847 1.00 0.00 H new ATOM 0 HA GLU A 10 12.214 -0.895 7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.689 -1.604 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.426 -1.388 5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.713 -3.115 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.975 -3.339 7.012 1.00 0.00 H new ATOM 148 N SER A 11 13.251 0.989 6.379 1.00 0.00 N ATOM 149 CA SER A 11 13.781 2.258 5.895 1.00 0.00 C ATOM 150 C SER A 11 13.440 2.461 4.421 1.00 0.00 C ATOM 151 O SER A 11 13.689 1.589 3.588 1.00 0.00 O ATOM 152 CB SER A 11 15.297 2.312 6.092 1.00 0.00 C ATOM 153 OG SER A 11 15.863 1.013 6.050 1.00 0.00 O ATOM 0 H SER A 11 13.963 0.312 6.652 1.00 0.00 H new ATOM 0 HA SER A 11 13.320 3.060 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.746 2.933 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.526 2.781 7.049 1.00 0.00 H new ATOM 0 HG SER A 11 16.833 1.074 6.177 1.00 0.00 H new ATOM 159 N LEU A 12 12.868 3.618 4.108 1.00 0.00 N ATOM 160 CA LEU A 12 12.492 3.938 2.733 1.00 0.00 C ATOM 161 C LEU A 12 13.598 4.724 2.037 1.00 0.00 C ATOM 162 O LEU A 12 13.405 5.245 0.939 1.00 0.00 O ATOM 163 CB LEU A 12 11.190 4.739 2.715 1.00 0.00 C ATOM 164 CG LEU A 12 9.907 3.942 2.953 1.00 0.00 C ATOM 165 CD1 LEU A 12 9.445 3.277 1.666 1.00 0.00 C ATOM 166 CD2 LEU A 12 10.120 2.904 4.045 1.00 0.00 C ATOM 0 H LEU A 12 12.654 4.350 4.785 1.00 0.00 H new ATOM 0 HA LEU A 12 12.343 3.003 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.256 5.518 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.109 5.240 1.750 1.00 0.00 H new ATOM 0 HG LEU A 12 9.129 4.631 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.531 2.714 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.252 4.040 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.220 2.600 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.197 2.346 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.912 2.218 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.403 3.403 4.971 1.00 0.00 H new ATOM 178 N GLY A 13 14.757 4.805 2.682 1.00 0.00 N ATOM 179 CA GLY A 13 15.877 5.528 2.107 1.00 0.00 C ATOM 180 C GLY A 13 15.958 5.370 0.601 1.00 0.00 C ATOM 181 O GLY A 13 15.351 6.139 -0.144 1.00 0.00 O ATOM 0 H GLY A 13 14.941 4.383 3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.788 6.586 2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.804 5.173 2.557 1.00 0.00 H new ATOM 185 N ARG A 14 16.712 4.371 0.153 1.00 0.00 N ATOM 186 CA ARG A 14 16.873 4.117 -1.273 1.00 0.00 C ATOM 187 C ARG A 14 15.652 3.396 -1.838 1.00 0.00 C ATOM 188 O ARG A 14 15.780 2.402 -2.554 1.00 0.00 O ATOM 189 CB ARG A 14 18.130 3.284 -1.526 1.00 0.00 C ATOM 190 CG ARG A 14 17.969 1.814 -1.175 1.00 0.00 C ATOM 191 CD ARG A 14 18.274 0.919 -2.366 1.00 0.00 C ATOM 192 NE ARG A 14 18.992 -0.290 -1.972 1.00 0.00 N ATOM 193 CZ ARG A 14 18.474 -1.233 -1.194 1.00 0.00 C ATOM 194 NH1 ARG A 14 17.238 -1.106 -0.728 1.00 0.00 N ATOM 195 NH2 ARG A 14 19.190 -2.304 -0.880 1.00 0.00 N ATOM 0 H ARG A 14 17.220 3.725 0.757 1.00 0.00 H new ATOM 0 HA ARG A 14 16.974 5.078 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.406 3.369 -2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.953 3.699 -0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 14 18.634 1.561 -0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 14 16.951 1.630 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 14 17.342 0.643 -2.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.868 1.473 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 14 19.945 -0.417 -2.314 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.685 -0.283 -0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 14 16.841 -1.831 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 14 20.140 -2.404 -1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 14 18.790 -3.027 -0.282 1.00 0.00 H new ATOM 209 N LEU A 15 14.469 3.905 -1.512 1.00 0.00 N ATOM 210 CA LEU A 15 13.223 3.310 -1.986 1.00 0.00 C ATOM 211 C LEU A 15 12.317 4.368 -2.607 1.00 0.00 C ATOM 212 O LEU A 15 11.260 4.051 -3.153 1.00 0.00 O ATOM 213 CB LEU A 15 12.497 2.612 -0.834 1.00 0.00 C ATOM 214 CG LEU A 15 11.348 1.684 -1.229 1.00 0.00 C ATOM 215 CD1 LEU A 15 11.589 1.094 -2.611 1.00 0.00 C ATOM 216 CD2 LEU A 15 11.179 0.578 -0.199 1.00 0.00 C ATOM 0 H LEU A 15 14.346 4.728 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 15 13.468 2.574 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.227 2.033 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.106 3.376 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 15 10.429 2.269 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.761 0.436 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.661 1.899 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.518 0.524 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.357 -0.073 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.098 -0.004 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.960 1.017 0.774 1.00 0.00 H new ATOM 228 N SER A 16 12.739 5.625 -2.522 1.00 0.00 N ATOM 229 CA SER A 16 11.964 6.731 -3.075 1.00 0.00 C ATOM 230 C SER A 16 10.536 6.716 -2.536 1.00 0.00 C ATOM 231 O SER A 16 9.597 6.288 -3.206 1.00 0.00 O ATOM 232 CB SER A 16 11.946 6.654 -4.602 1.00 0.00 C ATOM 233 OG SER A 16 13.213 6.982 -5.145 1.00 0.00 O ATOM 0 H SER A 16 13.613 5.904 -2.076 1.00 0.00 H new ATOM 0 HA SER A 16 12.439 7.664 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.662 5.649 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.191 7.336 -4.995 1.00 0.00 H new ATOM 0 HG SER A 16 13.175 6.924 -6.123 1.00 0.00 H new ATOM 239 N PRO A 17 10.368 7.196 -1.294 1.00 0.00 N ATOM 240 CA PRO A 17 9.060 7.251 -0.637 1.00 0.00 C ATOM 241 C PRO A 17 8.137 8.287 -1.268 1.00 0.00 C ATOM 242 O PRO A 17 7.005 8.479 -0.824 1.00 0.00 O ATOM 243 CB PRO A 17 9.402 7.644 0.802 1.00 0.00 C ATOM 244 CG PRO A 17 10.699 8.368 0.699 1.00 0.00 C ATOM 245 CD PRO A 17 11.444 7.723 -0.437 1.00 0.00 C ATOM 0 HA PRO A 17 8.523 6.306 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.628 8.278 1.234 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.488 6.766 1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.539 9.429 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.263 8.292 1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.066 8.442 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.104 6.929 -0.086 1.00 0.00 H new ATOM 253 N LYS A 18 8.627 8.954 -2.308 1.00 0.00 N ATOM 254 CA LYS A 18 7.846 9.971 -3.002 1.00 0.00 C ATOM 255 C LYS A 18 6.805 9.330 -3.914 1.00 0.00 C ATOM 256 O LYS A 18 6.054 10.023 -4.601 1.00 0.00 O ATOM 257 CB LYS A 18 8.766 10.880 -3.821 1.00 0.00 C ATOM 258 CG LYS A 18 10.207 10.875 -3.342 1.00 0.00 C ATOM 259 CD LYS A 18 10.293 10.968 -1.827 1.00 0.00 C ATOM 260 CE LYS A 18 11.335 11.986 -1.390 1.00 0.00 C ATOM 261 NZ LYS A 18 12.651 11.750 -2.047 1.00 0.00 N ATOM 0 H LYS A 18 9.562 8.808 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 18 7.328 10.569 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.737 10.567 -4.865 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.383 11.900 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.700 9.964 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.743 11.712 -3.790 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.320 11.245 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.543 9.990 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.985 12.990 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.456 11.940 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.410 12.144 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.801 10.728 -2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.662 12.213 -2.978 1.00 0.00 H new ATOM 275 N THR A 19 6.764 8.000 -3.914 1.00 0.00 N ATOM 276 CA THR A 19 5.816 7.266 -4.742 1.00 0.00 C ATOM 277 C THR A 19 5.471 5.918 -4.118 1.00 0.00 C ATOM 278 O THR A 19 4.950 5.028 -4.788 1.00 0.00 O ATOM 279 CB THR A 19 6.368 7.036 -6.161 1.00 0.00 C ATOM 280 OG1 THR A 19 6.797 5.677 -6.306 1.00 0.00 O ATOM 281 CG2 THR A 19 7.532 7.972 -6.448 1.00 0.00 C ATOM 0 H THR A 19 7.376 7.411 -3.350 1.00 0.00 H new ATOM 0 HA THR A 19 4.915 7.876 -4.806 1.00 0.00 H new ATOM 0 HB THR A 19 5.570 7.244 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.018 5.083 -6.277 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.905 7.791 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.196 9.006 -6.366 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.330 7.791 -5.728 1.00 0.00 H new ATOM 289 N ASN A 20 5.768 5.774 -2.830 1.00 0.00 N ATOM 290 CA ASN A 20 5.488 4.534 -2.115 1.00 0.00 C ATOM 291 C ASN A 20 4.452 4.759 -1.019 1.00 0.00 C ATOM 292 O ASN A 20 4.423 4.040 -0.020 1.00 0.00 O ATOM 293 CB ASN A 20 6.775 3.970 -1.509 1.00 0.00 C ATOM 294 CG ASN A 20 7.669 3.323 -2.549 1.00 0.00 C ATOM 295 OD1 ASN A 20 7.194 2.628 -3.446 1.00 0.00 O ATOM 296 ND2 ASN A 20 8.973 3.550 -2.432 1.00 0.00 N ATOM 0 H ASN A 20 6.202 6.500 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 20 5.084 3.815 -2.828 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.321 4.772 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.522 3.236 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.624 3.141 -3.102 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.323 4.133 -1.672 1.00 0.00 H new ATOM 303 N THR A 21 3.601 5.762 -1.213 1.00 0.00 N ATOM 304 CA THR A 21 2.564 6.083 -0.241 1.00 0.00 C ATOM 305 C THR A 21 1.197 5.605 -0.719 1.00 0.00 C ATOM 306 O THR A 21 0.566 6.242 -1.563 1.00 0.00 O ATOM 307 CB THR A 21 2.499 7.597 0.033 1.00 0.00 C ATOM 308 OG1 THR A 21 3.804 8.094 0.352 1.00 0.00 O ATOM 309 CG2 THR A 21 1.542 7.900 1.175 1.00 0.00 C ATOM 0 H THR A 21 3.610 6.366 -2.035 1.00 0.00 H new ATOM 0 HA THR A 21 2.825 5.566 0.682 1.00 0.00 H new ATOM 0 HB THR A 21 2.133 8.091 -0.867 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.754 9.058 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.513 8.975 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.544 7.547 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.882 7.395 2.079 1.00 0.00 H new ATOM 317 N CYS A 22 0.744 4.482 -0.174 1.00 0.00 N ATOM 318 CA CYS A 22 -0.548 3.919 -0.543 1.00 0.00 C ATOM 319 C CYS A 22 -1.584 5.021 -0.747 1.00 0.00 C ATOM 320 O CYS A 22 -1.615 6.003 -0.005 1.00 0.00 O ATOM 321 CB CYS A 22 -1.031 2.944 0.533 1.00 0.00 C ATOM 322 SG CYS A 22 -2.449 1.920 0.028 1.00 0.00 S ATOM 0 H CYS A 22 1.254 3.943 0.526 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.425 3.381 -1.483 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.205 2.289 0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.304 3.509 1.424 1.00 0.00 H new ATOM 327 N ARG A 23 -2.430 4.851 -1.758 1.00 0.00 N ATOM 328 CA ARG A 23 -3.466 5.831 -2.061 1.00 0.00 C ATOM 329 C ARG A 23 -4.784 5.454 -1.391 1.00 0.00 C ATOM 330 O ARG A 23 -5.794 6.134 -1.559 1.00 0.00 O ATOM 331 CB ARG A 23 -3.664 5.945 -3.573 1.00 0.00 C ATOM 332 CG ARG A 23 -4.760 5.041 -4.113 1.00 0.00 C ATOM 333 CD ARG A 23 -5.027 5.309 -5.586 1.00 0.00 C ATOM 334 NE ARG A 23 -6.326 4.793 -6.010 1.00 0.00 N ATOM 335 CZ ARG A 23 -6.686 4.663 -7.282 1.00 0.00 C ATOM 336 NH1 ARG A 23 -5.850 5.012 -8.250 1.00 0.00 N ATOM 337 NH2 ARG A 23 -7.886 4.184 -7.588 1.00 0.00 N ATOM 0 H ARG A 23 -2.418 4.044 -2.381 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.143 6.796 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.901 6.979 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.726 5.703 -4.073 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.473 3.998 -3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.675 5.196 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.985 6.382 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.241 4.850 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.993 4.517 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.928 5.381 -8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.129 4.911 -9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.532 3.916 -6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.161 4.085 -8.565 1.00 0.00 H new ATOM 351 N GLY A 24 -4.765 4.362 -0.632 1.00 0.00 N ATOM 352 CA GLY A 24 -5.964 3.913 0.051 1.00 0.00 C ATOM 353 C GLY A 24 -5.974 4.295 1.518 1.00 0.00 C ATOM 354 O GLY A 24 -7.035 4.511 2.103 1.00 0.00 O ATOM 0 H GLY A 24 -3.941 3.781 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.839 4.341 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.046 2.830 -0.040 1.00 0.00 H new ATOM 358 N CYS A 25 -4.789 4.378 2.114 1.00 0.00 N ATOM 359 CA CYS A 25 -4.665 4.734 3.522 1.00 0.00 C ATOM 360 C CYS A 25 -3.792 5.974 3.694 1.00 0.00 C ATOM 361 O CYS A 25 -3.922 6.707 4.673 1.00 0.00 O ATOM 362 CB CYS A 25 -4.076 3.567 4.316 1.00 0.00 C ATOM 363 SG CYS A 25 -2.685 2.732 3.486 1.00 0.00 S ATOM 0 H CYS A 25 -3.901 4.203 1.643 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.661 4.957 3.904 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.740 3.934 5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.863 2.837 4.507 1.00 0.00 H new ATOM 368 N ASN A 26 -2.901 6.201 2.734 1.00 0.00 N ATOM 369 CA ASN A 26 -2.006 7.351 2.779 1.00 0.00 C ATOM 370 C ASN A 26 -0.791 7.062 3.655 1.00 0.00 C ATOM 371 O ASN A 26 -0.203 7.970 4.241 1.00 0.00 O ATOM 372 CB ASN A 26 -2.747 8.581 3.307 1.00 0.00 C ATOM 373 CG ASN A 26 -4.180 8.646 2.817 1.00 0.00 C ATOM 374 OD1 ASN A 26 -4.622 7.800 2.040 1.00 0.00 O ATOM 375 ND2 ASN A 26 -4.915 9.655 3.272 1.00 0.00 N ATOM 0 H ASN A 26 -2.780 5.604 1.916 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.661 7.550 1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.739 8.567 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.218 9.482 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.887 9.751 2.978 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.507 10.334 3.915 1.00 0.00 H new ATOM 382 N HIS A 27 -0.419 5.787 3.738 1.00 0.00 N ATOM 383 CA HIS A 27 0.728 5.377 4.541 1.00 0.00 C ATOM 384 C HIS A 27 1.865 4.883 3.652 1.00 0.00 C ATOM 385 O HIS A 27 1.657 4.560 2.481 1.00 0.00 O ATOM 386 CB HIS A 27 0.321 4.279 5.524 1.00 0.00 C ATOM 387 CG HIS A 27 -0.733 4.708 6.499 1.00 0.00 C ATOM 388 ND1 HIS A 27 -0.679 5.902 7.188 1.00 0.00 N ATOM 389 CD2 HIS A 27 -1.872 4.097 6.896 1.00 0.00 C ATOM 390 CE1 HIS A 27 -1.740 6.005 7.968 1.00 0.00 C ATOM 391 NE2 HIS A 27 -2.480 4.922 7.810 1.00 0.00 N ATOM 0 H HIS A 27 -0.895 5.022 3.260 1.00 0.00 H new ATOM 0 HA HIS A 27 1.078 6.245 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.043 3.418 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.202 3.951 6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.236 3.138 6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.964 6.834 8.623 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.360 4.730 8.289 1.00 0.00 H new ATOM 399 N LEU A 28 3.067 4.828 4.214 1.00 0.00 N ATOM 400 CA LEU A 28 4.239 4.374 3.472 1.00 0.00 C ATOM 401 C LEU A 28 4.257 2.854 3.359 1.00 0.00 C ATOM 402 O LEU A 28 3.884 2.147 4.295 1.00 0.00 O ATOM 403 CB LEU A 28 5.519 4.862 4.153 1.00 0.00 C ATOM 404 CG LEU A 28 5.897 6.322 3.904 1.00 0.00 C ATOM 405 CD1 LEU A 28 7.310 6.600 4.395 1.00 0.00 C ATOM 406 CD2 LEU A 28 5.767 6.663 2.427 1.00 0.00 C ATOM 0 H LEU A 28 3.256 5.092 5.181 1.00 0.00 H new ATOM 0 HA LEU A 28 4.187 4.793 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.414 4.713 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.345 4.232 3.823 1.00 0.00 H new ATOM 0 HG LEU A 28 5.209 6.955 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.561 7.644 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.370 6.397 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.013 5.958 3.864 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.040 7.706 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.430 6.022 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.737 6.505 2.106 1.00 0.00 H new ATOM 418 N VAL A 29 4.696 2.355 2.208 1.00 0.00 N ATOM 419 CA VAL A 29 4.765 0.918 1.974 1.00 0.00 C ATOM 420 C VAL A 29 5.808 0.584 0.912 1.00 0.00 C ATOM 421 O VAL A 29 5.645 0.922 -0.261 1.00 0.00 O ATOM 422 CB VAL A 29 3.402 0.353 1.534 1.00 0.00 C ATOM 423 CG1 VAL A 29 2.908 -0.686 2.529 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.387 1.475 1.376 1.00 0.00 C ATOM 0 H VAL A 29 5.009 2.925 1.423 1.00 0.00 H new ATOM 0 HA VAL A 29 5.052 0.458 2.920 1.00 0.00 H new ATOM 0 HB VAL A 29 3.525 -0.134 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.944 -1.074 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.627 -1.503 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.799 -0.226 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.429 1.058 1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.265 1.992 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.738 2.180 0.622 1.00 0.00 H new ATOM 434 N CYS A 30 6.879 -0.082 1.331 1.00 0.00 N ATOM 435 CA CYS A 30 7.949 -0.463 0.416 1.00 0.00 C ATOM 436 C CYS A 30 7.385 -1.136 -0.832 1.00 0.00 C ATOM 437 O CYS A 30 6.173 -1.313 -0.960 1.00 0.00 O ATOM 438 CB CYS A 30 8.934 -1.402 1.115 1.00 0.00 C ATOM 439 SG CYS A 30 8.237 -3.030 1.537 1.00 0.00 S ATOM 0 H CYS A 30 7.029 -0.369 2.298 1.00 0.00 H new ATOM 0 HA CYS A 30 8.473 0.443 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.801 -1.546 0.471 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.290 -0.924 2.027 1.00 0.00 H new ATOM 444 N ARG A 31 8.272 -1.509 -1.748 1.00 0.00 N ATOM 445 CA ARG A 31 7.862 -2.161 -2.986 1.00 0.00 C ATOM 446 C ARG A 31 7.676 -3.661 -2.774 1.00 0.00 C ATOM 447 O ARG A 31 7.722 -4.443 -3.725 1.00 0.00 O ATOM 448 CB ARG A 31 8.898 -1.915 -4.084 1.00 0.00 C ATOM 449 CG ARG A 31 10.298 -2.381 -3.717 1.00 0.00 C ATOM 450 CD ARG A 31 11.312 -1.990 -4.780 1.00 0.00 C ATOM 451 NE ARG A 31 12.650 -1.816 -4.223 1.00 0.00 N ATOM 452 CZ ARG A 31 13.751 -1.744 -4.962 1.00 0.00 C ATOM 453 NH1 ARG A 31 13.673 -1.830 -6.283 1.00 0.00 N ATOM 454 NH2 ARG A 31 14.933 -1.583 -4.381 1.00 0.00 N ATOM 0 H ARG A 31 9.279 -1.371 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 31 6.908 -1.734 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.580 -2.427 -4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.927 -0.850 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.588 -1.948 -2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.301 -3.464 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.339 -2.756 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.996 -1.063 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 31 12.745 -1.746 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.766 -1.952 -6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.520 -1.774 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.997 -1.514 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.778 -1.528 -4.950 1.00 0.00 H new ATOM 468 N ASP A 32 7.468 -4.055 -1.523 1.00 0.00 N ATOM 469 CA ASP A 32 7.275 -5.461 -1.186 1.00 0.00 C ATOM 470 C ASP A 32 5.961 -5.666 -0.439 1.00 0.00 C ATOM 471 O ASP A 32 5.405 -6.764 -0.430 1.00 0.00 O ATOM 472 CB ASP A 32 8.443 -5.969 -0.339 1.00 0.00 C ATOM 473 CG ASP A 32 8.691 -7.453 -0.525 1.00 0.00 C ATOM 474 OD1 ASP A 32 8.938 -8.145 0.485 1.00 0.00 O ATOM 475 OD2 ASP A 32 8.635 -7.923 -1.680 1.00 0.00 O ATOM 0 H ASP A 32 7.429 -3.421 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 32 7.236 -6.030 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.345 -5.417 -0.602 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.240 -5.767 0.713 1.00 0.00 H new ATOM 480 N CYS A 33 5.472 -4.601 0.188 1.00 0.00 N ATOM 481 CA CYS A 33 4.225 -4.663 0.940 1.00 0.00 C ATOM 482 C CYS A 33 3.056 -4.159 0.097 1.00 0.00 C ATOM 483 O CYS A 33 1.961 -3.927 0.611 1.00 0.00 O ATOM 484 CB CYS A 33 4.336 -3.837 2.223 1.00 0.00 C ATOM 485 SG CYS A 33 5.393 -4.589 3.502 1.00 0.00 S ATOM 0 H CYS A 33 5.921 -3.685 0.190 1.00 0.00 H new ATOM 0 HA CYS A 33 4.040 -5.705 1.202 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.730 -2.851 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.337 -3.687 2.634 1.00 0.00 H new ATOM 490 N ARG A 34 3.297 -3.992 -1.199 1.00 0.00 N ATOM 491 CA ARG A 34 2.266 -3.516 -2.113 1.00 0.00 C ATOM 492 C ARG A 34 1.737 -4.656 -2.979 1.00 0.00 C ATOM 493 O ARG A 34 2.436 -5.640 -3.220 1.00 0.00 O ATOM 494 CB ARG A 34 2.819 -2.400 -3.002 1.00 0.00 C ATOM 495 CG ARG A 34 4.170 -1.872 -2.548 1.00 0.00 C ATOM 496 CD ARG A 34 4.709 -0.822 -3.506 1.00 0.00 C ATOM 497 NE ARG A 34 5.179 -1.413 -4.757 1.00 0.00 N ATOM 498 CZ ARG A 34 5.394 -0.713 -5.865 1.00 0.00 C ATOM 499 NH1 ARG A 34 5.183 0.597 -5.877 1.00 0.00 N ATOM 500 NH2 ARG A 34 5.821 -1.321 -6.964 1.00 0.00 N ATOM 0 H ARG A 34 4.198 -4.179 -1.640 1.00 0.00 H new ATOM 0 HA ARG A 34 1.442 -3.123 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.908 -2.771 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.105 -1.577 -3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.077 -1.442 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.878 -2.697 -2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.928 -0.092 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.528 -0.283 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 34 5.351 -2.418 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.855 1.068 -5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.349 1.132 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.985 -2.328 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.986 -0.782 -7.814 1.00 0.00 H new ATOM 514 N ILE A 35 0.500 -4.515 -3.442 1.00 0.00 N ATOM 515 CA ILE A 35 -0.122 -5.531 -4.281 1.00 0.00 C ATOM 516 C ILE A 35 -0.457 -4.976 -5.660 1.00 0.00 C ATOM 517 O ILE A 35 -1.390 -4.189 -5.812 1.00 0.00 O ATOM 518 CB ILE A 35 -1.407 -6.085 -3.636 1.00 0.00 C ATOM 519 CG1 ILE A 35 -1.065 -7.187 -2.631 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.351 -6.611 -4.705 1.00 0.00 C ATOM 521 CD1 ILE A 35 -0.450 -6.667 -1.350 1.00 0.00 C ATOM 0 H ILE A 35 -0.092 -3.707 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 35 0.601 -6.340 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.907 -5.276 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.972 -7.742 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.375 -7.891 -3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.254 -6.999 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.616 -5.802 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.861 -7.409 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.234 -7.503 -0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.474 -6.137 -1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.147 -5.986 -0.862 1.00 0.00 H new ATOM 533 N GLN A 36 0.308 -5.395 -6.663 1.00 0.00 N ATOM 534 CA GLN A 36 0.090 -4.939 -8.031 1.00 0.00 C ATOM 535 C GLN A 36 -1.366 -5.130 -8.443 1.00 0.00 C ATOM 536 O GLN A 36 -1.824 -6.256 -8.633 1.00 0.00 O ATOM 537 CB GLN A 36 1.008 -5.695 -8.994 1.00 0.00 C ATOM 538 CG GLN A 36 2.189 -4.871 -9.482 1.00 0.00 C ATOM 539 CD GLN A 36 1.789 -3.473 -9.908 1.00 0.00 C ATOM 540 OE1 GLN A 36 2.502 -2.503 -9.646 1.00 0.00 O ATOM 541 NE2 GLN A 36 0.643 -3.360 -10.569 1.00 0.00 N ATOM 0 H GLN A 36 1.083 -6.049 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 36 0.324 -3.875 -8.075 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.381 -6.591 -8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.426 -6.025 -9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.934 -4.806 -8.689 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.661 -5.381 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.083 -4.190 -10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.322 -2.443 -10.881 1.00 0.00 H new ATOM 550 N GLU A 37 -2.087 -4.022 -8.578 1.00 0.00 N ATOM 551 CA GLU A 37 -3.492 -4.068 -8.967 1.00 0.00 C ATOM 552 C GLU A 37 -3.634 -4.286 -10.470 1.00 0.00 C ATOM 553 O GLU A 37 -4.651 -4.795 -10.941 1.00 0.00 O ATOM 554 CB GLU A 37 -4.199 -2.775 -8.558 1.00 0.00 C ATOM 555 CG GLU A 37 -4.312 -2.590 -7.054 1.00 0.00 C ATOM 556 CD GLU A 37 -5.162 -3.660 -6.397 1.00 0.00 C ATOM 557 OE1 GLU A 37 -4.852 -4.041 -5.249 1.00 0.00 O ATOM 558 OE2 GLU A 37 -6.136 -4.117 -7.031 1.00 0.00 O ATOM 0 H GLU A 37 -1.722 -3.082 -8.424 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.958 -4.907 -8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.659 -1.927 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.199 -2.765 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.315 -2.603 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.741 -1.610 -6.843 1.00 0.00 H new ATOM 565 N SER A 38 -2.607 -3.896 -11.218 1.00 0.00 N ATOM 566 CA SER A 38 -2.618 -4.045 -12.668 1.00 0.00 C ATOM 567 C SER A 38 -3.669 -3.136 -13.299 1.00 0.00 C ATOM 568 O SER A 38 -3.943 -3.223 -14.495 1.00 0.00 O ATOM 569 CB SER A 38 -2.890 -5.500 -13.051 1.00 0.00 C ATOM 570 OG SER A 38 -2.391 -5.789 -14.347 1.00 0.00 O ATOM 0 H SER A 38 -1.757 -3.475 -10.844 1.00 0.00 H new ATOM 0 HA SER A 38 -1.637 -3.755 -13.046 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.425 -6.164 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.962 -5.693 -13.019 1.00 0.00 H new ATOM 0 HG SER A 38 -2.687 -5.096 -14.973 1.00 0.00 H new ATOM 576 N ASN A 39 -4.255 -2.264 -12.485 1.00 0.00 N ATOM 577 CA ASN A 39 -5.276 -1.339 -12.961 1.00 0.00 C ATOM 578 C ASN A 39 -4.689 0.051 -13.187 1.00 0.00 C ATOM 579 O ASN A 39 -5.413 1.003 -13.475 1.00 0.00 O ATOM 580 CB ASN A 39 -6.430 -1.262 -11.960 1.00 0.00 C ATOM 581 CG ASN A 39 -6.249 -0.142 -10.954 1.00 0.00 C ATOM 582 OD1 ASN A 39 -5.439 -0.245 -10.032 1.00 0.00 O ATOM 583 ND2 ASN A 39 -7.004 0.938 -11.126 1.00 0.00 N ATOM 0 H ASN A 39 -4.040 -2.179 -11.492 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.654 -1.712 -13.913 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.366 -1.115 -12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.513 -2.212 -11.431 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.925 1.724 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.662 0.981 -11.904 1.00 0.00 H new ATOM 590 N GLY A 40 -3.371 0.159 -13.053 1.00 0.00 N ATOM 591 CA GLY A 40 -2.708 1.436 -13.246 1.00 0.00 C ATOM 592 C GLY A 40 -2.067 1.954 -11.974 1.00 0.00 C ATOM 593 O GLY A 40 -1.246 2.872 -12.011 1.00 0.00 O ATOM 0 H GLY A 40 -2.750 -0.614 -12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.945 1.333 -14.018 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.431 2.166 -13.608 1.00 0.00 H new ATOM 597 N THR A 41 -2.440 1.366 -10.841 1.00 0.00 N ATOM 598 CA THR A 41 -1.897 1.775 -9.553 1.00 0.00 C ATOM 599 C THR A 41 -1.579 0.565 -8.681 1.00 0.00 C ATOM 600 O THR A 41 -1.403 -0.544 -9.184 1.00 0.00 O ATOM 601 CB THR A 41 -2.876 2.693 -8.797 1.00 0.00 C ATOM 602 OG1 THR A 41 -2.179 3.423 -7.781 1.00 0.00 O ATOM 603 CG2 THR A 41 -4.001 1.886 -8.168 1.00 0.00 C ATOM 0 H THR A 41 -3.117 0.604 -10.790 1.00 0.00 H new ATOM 0 HA THR A 41 -0.978 2.324 -9.758 1.00 0.00 H new ATOM 0 HB THR A 41 -3.309 3.392 -9.513 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.617 4.288 -7.641 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.679 2.557 -7.640 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.549 1.356 -8.947 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.583 1.166 -7.465 1.00 0.00 H new ATOM 611 N TRP A 42 -1.507 0.787 -7.373 1.00 0.00 N ATOM 612 CA TRP A 42 -1.211 -0.287 -6.432 1.00 0.00 C ATOM 613 C TRP A 42 -1.822 0.003 -5.065 1.00 0.00 C ATOM 614 O TRP A 42 -2.144 1.148 -4.751 1.00 0.00 O ATOM 615 CB TRP A 42 0.302 -0.473 -6.299 1.00 0.00 C ATOM 616 CG TRP A 42 1.011 0.757 -5.819 1.00 0.00 C ATOM 617 CD1 TRP A 42 1.622 1.704 -6.590 1.00 0.00 C ATOM 618 CD2 TRP A 42 1.185 1.170 -4.460 1.00 0.00 C ATOM 619 NE1 TRP A 42 2.166 2.682 -5.791 1.00 0.00 N ATOM 620 CE2 TRP A 42 1.909 2.378 -4.481 1.00 0.00 C ATOM 621 CE3 TRP A 42 0.797 0.639 -3.226 1.00 0.00 C ATOM 622 CZ2 TRP A 42 2.254 3.060 -3.316 1.00 0.00 C ATOM 623 CZ3 TRP A 42 1.138 1.317 -2.072 1.00 0.00 C ATOM 624 CH2 TRP A 42 1.860 2.517 -2.123 1.00 0.00 C ATOM 0 H TRP A 42 -1.649 1.700 -6.941 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.651 -1.207 -6.818 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.501 -1.292 -5.607 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.711 -0.766 -7.266 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.671 1.687 -7.669 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.678 3.501 -6.121 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.240 -0.285 -3.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.812 3.984 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.843 0.915 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.111 3.023 -1.203 1.00 0.00 H new ATOM 635 N ARG A 43 -1.978 -1.041 -4.259 1.00 0.00 N ATOM 636 CA ARG A 43 -2.552 -0.898 -2.926 1.00 0.00 C ATOM 637 C ARG A 43 -1.889 -1.858 -1.942 1.00 0.00 C ATOM 638 O ARG A 43 -1.731 -3.045 -2.227 1.00 0.00 O ATOM 639 CB ARG A 43 -4.059 -1.154 -2.966 1.00 0.00 C ATOM 640 CG ARG A 43 -4.859 0.008 -3.532 1.00 0.00 C ATOM 641 CD ARG A 43 -5.378 0.918 -2.429 1.00 0.00 C ATOM 642 NE ARG A 43 -6.820 1.127 -2.524 1.00 0.00 N ATOM 643 CZ ARG A 43 -7.708 0.140 -2.500 1.00 0.00 C ATOM 644 NH1 ARG A 43 -7.306 -1.117 -2.384 1.00 0.00 N ATOM 645 NH2 ARG A 43 -9.004 0.411 -2.593 1.00 0.00 N ATOM 0 H ARG A 43 -1.715 -1.995 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.372 0.123 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.252 -2.043 -3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.410 -1.368 -1.956 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.234 0.583 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.698 -0.375 -4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.138 0.484 -1.458 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.868 1.880 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.164 2.083 -2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.311 -1.330 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.992 -1.872 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.318 1.377 -2.683 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.686 -0.347 -2.575 1.00 0.00 H new ATOM 659 N CYS A 44 -1.501 -1.334 -0.784 1.00 0.00 N ATOM 660 CA CYS A 44 -0.854 -2.143 0.242 1.00 0.00 C ATOM 661 C CYS A 44 -1.598 -3.459 0.448 1.00 0.00 C ATOM 662 O CYS A 44 -2.707 -3.642 -0.053 1.00 0.00 O ATOM 663 CB CYS A 44 -0.785 -1.371 1.561 1.00 0.00 C ATOM 664 SG CYS A 44 -2.407 -1.091 2.343 1.00 0.00 S ATOM 0 H CYS A 44 -1.623 -0.353 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 44 0.158 -2.368 -0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.147 -1.917 2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.309 -0.407 1.381 1.00 0.00 H new ATOM 669 N LYS A 45 -0.979 -4.372 1.188 1.00 0.00 N ATOM 670 CA LYS A 45 -1.582 -5.671 1.463 1.00 0.00 C ATOM 671 C LYS A 45 -2.761 -5.533 2.421 1.00 0.00 C ATOM 672 O LYS A 45 -3.471 -6.501 2.692 1.00 0.00 O ATOM 673 CB LYS A 45 -0.541 -6.625 2.053 1.00 0.00 C ATOM 674 CG LYS A 45 0.887 -6.281 1.667 1.00 0.00 C ATOM 675 CD LYS A 45 1.802 -7.490 1.777 1.00 0.00 C ATOM 676 CE LYS A 45 1.651 -8.414 0.578 1.00 0.00 C ATOM 677 NZ LYS A 45 2.350 -9.711 0.787 1.00 0.00 N ATOM 0 H LYS A 45 -0.060 -4.237 1.608 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.948 -6.080 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.627 -6.616 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.763 -7.640 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.907 -5.900 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.257 -5.484 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.837 -7.158 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.574 -8.038 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.593 -8.598 0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.051 -7.925 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.224 -10.313 -0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.364 -9.538 0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.951 -10.190 1.620 1.00 0.00 H new ATOM 691 N VAL A 46 -2.965 -4.322 2.930 1.00 0.00 N ATOM 692 CA VAL A 46 -4.058 -4.056 3.856 1.00 0.00 C ATOM 693 C VAL A 46 -5.249 -3.434 3.135 1.00 0.00 C ATOM 694 O VAL A 46 -6.374 -3.459 3.636 1.00 0.00 O ATOM 695 CB VAL A 46 -3.615 -3.118 4.994 1.00 0.00 C ATOM 696 CG1 VAL A 46 -4.668 -3.077 6.092 1.00 0.00 C ATOM 697 CG2 VAL A 46 -2.269 -3.557 5.551 1.00 0.00 C ATOM 0 H VAL A 46 -2.387 -3.509 2.716 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.353 -5.015 4.281 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.505 -2.111 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.338 -2.409 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.609 -2.713 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.812 -4.079 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.971 -2.883 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.350 -4.572 5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.521 -3.530 4.759 1.00 0.00 H new ATOM 707 N CYS A 47 -4.996 -2.878 1.955 1.00 0.00 N ATOM 708 CA CYS A 47 -6.047 -2.249 1.164 1.00 0.00 C ATOM 709 C CYS A 47 -6.451 -3.140 -0.008 1.00 0.00 C ATOM 710 O CYS A 47 -7.599 -3.118 -0.449 1.00 0.00 O ATOM 711 CB CYS A 47 -5.578 -0.888 0.647 1.00 0.00 C ATOM 712 SG CYS A 47 -5.544 0.417 1.917 1.00 0.00 S ATOM 0 H CYS A 47 -4.071 -2.850 1.525 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.916 -2.106 1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.579 -0.996 0.225 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.234 -0.574 -0.165 1.00 0.00 H new ATOM 717 N ALA A 48 -5.498 -3.921 -0.506 1.00 0.00 N ATOM 718 CA ALA A 48 -5.755 -4.820 -1.625 1.00 0.00 C ATOM 719 C ALA A 48 -6.292 -6.162 -1.138 1.00 0.00 C ATOM 720 O ALA A 48 -6.897 -6.915 -1.902 1.00 0.00 O ATOM 721 CB ALA A 48 -4.488 -5.021 -2.443 1.00 0.00 C ATOM 0 H ALA A 48 -4.542 -3.949 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.514 -4.363 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.695 -5.694 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.148 -4.060 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.712 -5.453 -1.811 1.00 0.00 H new ATOM 727 N LYS A 49 -6.067 -6.457 0.138 1.00 0.00 N ATOM 728 CA LYS A 49 -6.528 -7.708 0.727 1.00 0.00 C ATOM 729 C LYS A 49 -7.215 -7.458 2.067 1.00 0.00 C ATOM 730 O LYS A 49 -6.773 -7.955 3.102 1.00 0.00 O ATOM 731 CB LYS A 49 -5.352 -8.670 0.917 1.00 0.00 C ATOM 732 CG LYS A 49 -4.839 -9.266 -0.383 1.00 0.00 C ATOM 733 CD LYS A 49 -3.401 -9.739 -0.250 1.00 0.00 C ATOM 734 CE LYS A 49 -3.301 -10.976 0.628 1.00 0.00 C ATOM 735 NZ LYS A 49 -2.344 -10.781 1.753 1.00 0.00 N ATOM 0 H LYS A 49 -5.568 -5.846 0.784 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.251 -8.157 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.537 -8.141 1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.658 -9.478 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.473 -10.103 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.906 -8.522 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.996 -9.959 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.792 -8.941 0.174 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.286 -11.219 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.983 -11.826 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.304 -11.646 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.398 -10.574 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.661 -9.986 2.344 1.00 0.00 H new ATOM 749 N GLU A 50 -8.297 -6.686 2.036 1.00 0.00 N ATOM 750 CA GLU A 50 -9.043 -6.372 3.249 1.00 0.00 C ATOM 751 C GLU A 50 -10.148 -5.360 2.960 1.00 0.00 C ATOM 752 O GLU A 50 -11.305 -5.568 3.327 1.00 0.00 O ATOM 753 CB GLU A 50 -8.104 -5.825 4.326 1.00 0.00 C ATOM 754 CG GLU A 50 -8.666 -4.625 5.071 1.00 0.00 C ATOM 755 CD GLU A 50 -9.989 -4.926 5.747 1.00 0.00 C ATOM 756 OE1 GLU A 50 -10.012 -5.793 6.645 1.00 0.00 O ATOM 757 OE2 GLU A 50 -11.002 -4.295 5.377 1.00 0.00 O ATOM 0 H GLU A 50 -8.676 -6.268 1.186 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.501 -7.292 3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.886 -6.617 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.158 -5.544 3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.946 -4.297 5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.799 -3.798 4.373 1.00 0.00 H new ATOM 764 N ILE A 51 -9.783 -4.266 2.302 1.00 0.00 N ATOM 765 CA ILE A 51 -10.743 -3.222 1.964 1.00 0.00 C ATOM 766 C ILE A 51 -11.797 -3.069 3.055 1.00 0.00 C ATOM 767 O ILE A 51 -12.837 -3.725 3.022 1.00 0.00 O ATOM 768 CB ILE A 51 -11.445 -3.516 0.625 1.00 0.00 C ATOM 769 CG1 ILE A 51 -12.661 -2.602 0.450 1.00 0.00 C ATOM 770 CG2 ILE A 51 -11.861 -4.978 0.555 1.00 0.00 C ATOM 771 CD1 ILE A 51 -12.403 -1.170 0.861 1.00 0.00 C ATOM 0 H ILE A 51 -8.829 -4.079 1.992 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.180 -2.293 1.874 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.745 -3.318 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.973 -2.621 -0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -13.490 -2.997 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.356 -5.170 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.978 -5.612 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.547 -5.201 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -13.307 -0.580 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.120 -1.139 1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -11.595 -0.758 0.256 1.00 0.00 H new ATOM 783 N GLU A 52 -11.519 -2.199 4.020 1.00 0.00 N ATOM 784 CA GLU A 52 -12.444 -1.960 5.122 1.00 0.00 C ATOM 785 C GLU A 52 -13.570 -1.021 4.694 1.00 0.00 C ATOM 786 O GLU A 52 -14.749 -1.314 4.899 1.00 0.00 O ATOM 787 CB GLU A 52 -11.702 -1.368 6.322 1.00 0.00 C ATOM 788 CG GLU A 52 -12.512 -1.385 7.607 1.00 0.00 C ATOM 789 CD GLU A 52 -11.654 -1.621 8.835 1.00 0.00 C ATOM 790 OE1 GLU A 52 -10.860 -2.585 8.826 1.00 0.00 O ATOM 791 OE2 GLU A 52 -11.775 -0.842 9.804 1.00 0.00 O ATOM 0 H GLU A 52 -10.662 -1.648 4.062 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.880 -2.917 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.778 -1.925 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.420 -0.340 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.038 -0.436 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.271 -2.165 7.543 1.00 0.00 H new ATOM 798 N LEU A 53 -13.197 0.106 4.098 1.00 0.00 N ATOM 799 CA LEU A 53 -14.174 1.088 3.641 1.00 0.00 C ATOM 800 C LEU A 53 -14.967 0.555 2.451 1.00 0.00 C ATOM 801 O LEU A 53 -16.080 1.021 2.212 1.00 0.00 O ATOM 802 CB LEU A 53 -13.473 2.392 3.257 1.00 0.00 C ATOM 803 CG LEU A 53 -13.147 3.343 4.410 1.00 0.00 C ATOM 804 CD1 LEU A 53 -11.657 3.326 4.711 1.00 0.00 C ATOM 805 CD2 LEU A 53 -13.610 4.756 4.084 1.00 0.00 C ATOM 0 H LEU A 53 -12.226 0.362 3.920 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.868 1.282 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -12.544 2.144 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.102 2.922 2.542 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.681 3.003 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.444 4.008 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.353 2.317 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.103 3.641 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.370 5.419 4.916 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.105 5.106 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.687 4.757 3.919 1.00 0.00 H new TER 817 LEU A 53 HETATM 818 ZN ZN A 201 7.221 -3.150 3.630 1.00 0.00 ZN HETATM 819 ZN ZN A 202 -3.298 1.036 2.011 1.00 0.00 ZN