USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 422 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 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.006) USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.068) USER MOD Single : A 15 SER OG : rot 90:sc= 0.072 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 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 29 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.87) USER MOD Single : B 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0362) USER MOD Single : B 10 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.39) USER MOD Single : B 12 THR OG1 : rot -9:sc= 0.672 USER MOD Single : B 13 HIS : no HD1:sc= -0.437 X(o=-0.44,f=-0.57) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 GLN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -5.05! C(o=-5!,f=-7.8!) USER MOD Single : B 24 ASN : amide:sc= -5.24 K(o=-5.2,f=-17!) USER MOD Single : B 29 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 4.550 17.871 2.624 1.00 0.00 N ATOM 48 CA GLN A 7 5.603 17.283 1.799 1.00 0.00 C ATOM 49 C GLN A 7 6.191 16.052 2.482 1.00 0.00 C ATOM 50 O GLN A 7 6.310 14.986 1.877 1.00 0.00 O ATOM 51 CB GLN A 7 6.720 18.298 1.553 1.00 0.00 C ATOM 52 CG GLN A 7 7.483 17.921 0.282 1.00 0.00 C ATOM 53 CD GLN A 7 8.196 19.151 -0.269 1.00 0.00 C ATOM 54 OE1 GLN A 7 8.963 19.801 0.442 1.00 0.00 O ATOM 55 NE2 GLN A 7 7.986 19.514 -1.505 1.00 0.00 N ATOM 0 HA GLN A 7 5.161 16.993 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.300 19.299 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.400 18.320 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.207 17.135 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.794 17.523 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.351 18.975 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 7 8.457 20.336 -1.882 1.00 0.00 H new ATOM 64 N ALA A 8 6.554 16.212 3.751 1.00 0.00 N ATOM 65 CA ALA A 8 7.131 15.107 4.513 1.00 0.00 C ATOM 66 C ALA A 8 6.123 13.969 4.645 1.00 0.00 C ATOM 67 O ALA A 8 6.452 12.803 4.431 1.00 0.00 O ATOM 68 CB ALA A 8 7.537 15.576 5.911 1.00 0.00 C ATOM 0 H ALA A 8 6.461 17.085 4.270 1.00 0.00 H new ATOM 0 HA ALA A 8 8.013 14.753 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.965 14.741 6.465 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.276 16.372 5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.659 15.950 6.439 1.00 0.00 H new ATOM 74 N GLU A 9 4.890 14.324 4.997 1.00 0.00 N ATOM 75 CA GLU A 9 3.837 13.325 5.154 1.00 0.00 C ATOM 76 C GLU A 9 3.534 12.655 3.819 1.00 0.00 C ATOM 77 O GLU A 9 3.295 11.450 3.752 1.00 0.00 O ATOM 78 CB GLU A 9 2.559 13.975 5.689 1.00 0.00 C ATOM 79 CG GLU A 9 1.738 12.935 6.454 1.00 0.00 C ATOM 80 CD GLU A 9 0.535 13.611 7.102 1.00 0.00 C ATOM 81 OE1 GLU A 9 -0.105 14.405 6.432 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.271 13.326 8.257 1.00 0.00 O ATOM 0 H GLU A 9 4.598 15.284 5.177 1.00 0.00 H new ATOM 0 HA GLU A 9 4.187 12.575 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.810 14.809 6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.973 14.382 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.405 12.149 5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.355 12.459 7.216 1.00 0.00 H new ATOM 89 N GLU A 10 3.548 13.453 2.754 1.00 0.00 N ATOM 90 CA GLU A 10 3.273 12.930 1.420 1.00 0.00 C ATOM 91 C GLU A 10 4.432 12.059 0.941 1.00 0.00 C ATOM 92 O GLU A 10 4.232 11.068 0.237 1.00 0.00 O ATOM 93 CB GLU A 10 3.069 14.076 0.426 1.00 0.00 C ATOM 94 CG GLU A 10 2.487 13.525 -0.877 1.00 0.00 C ATOM 95 CD GLU A 10 2.741 14.515 -2.008 1.00 0.00 C ATOM 96 OE1 GLU A 10 2.004 15.483 -2.099 1.00 0.00 O ATOM 97 OE2 GLU A 10 3.670 14.292 -2.767 1.00 0.00 O ATOM 0 H GLU A 10 3.745 14.453 2.788 1.00 0.00 H new ATOM 0 HA GLU A 10 2.364 12.331 1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.398 14.823 0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.018 14.575 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.942 12.563 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.417 13.352 -0.765 1.00 0.00 H new ATOM 104 N GLN A 11 5.644 12.439 1.334 1.00 0.00 N ATOM 105 CA GLN A 11 6.832 11.687 0.941 1.00 0.00 C ATOM 106 C GLN A 11 6.770 10.266 1.492 1.00 0.00 C ATOM 107 O GLN A 11 7.261 9.322 0.873 1.00 0.00 O ATOM 108 CB GLN A 11 8.096 12.371 1.466 1.00 0.00 C ATOM 109 CG GLN A 11 9.330 11.697 0.864 1.00 0.00 C ATOM 110 CD GLN A 11 9.747 12.438 -0.402 1.00 0.00 C ATOM 111 OE1 GLN A 11 9.815 11.848 -1.481 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.036 13.708 -0.333 1.00 0.00 N ATOM 0 H GLN A 11 5.829 13.254 1.918 1.00 0.00 H new ATOM 0 HA GLN A 11 6.864 11.653 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.084 13.430 1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.130 12.310 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.147 11.699 1.585 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.112 10.654 0.633 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.979 14.196 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.318 14.213 -1.173 1.00 0.00 H new ATOM 121 N LYS A 12 6.160 10.126 2.665 1.00 0.00 N ATOM 122 CA LYS A 12 6.035 8.815 3.296 1.00 0.00 C ATOM 123 C LYS A 12 4.905 8.017 2.652 1.00 0.00 C ATOM 124 O LYS A 12 5.014 6.809 2.453 1.00 0.00 O ATOM 125 CB LYS A 12 5.748 8.965 4.792 1.00 0.00 C ATOM 126 CG LYS A 12 7.002 9.476 5.504 1.00 0.00 C ATOM 127 CD LYS A 12 6.904 9.166 6.998 1.00 0.00 C ATOM 128 CE LYS A 12 5.820 10.041 7.631 1.00 0.00 C ATOM 129 NZ LYS A 12 6.349 11.419 7.834 1.00 0.00 N ATOM 0 H LYS A 12 5.748 10.895 3.194 1.00 0.00 H new ATOM 0 HA LYS A 12 6.978 8.286 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.921 9.658 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.443 8.007 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.890 9.005 5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.107 10.550 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.669 8.112 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.863 9.350 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.940 10.069 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.506 9.616 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.706 11.950 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.291 11.368 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.421 11.902 6.916 1.00 0.00 H new ATOM 143 N LEU A 13 3.819 8.712 2.327 1.00 0.00 N ATOM 144 CA LEU A 13 2.669 8.062 1.704 1.00 0.00 C ATOM 145 C LEU A 13 3.060 7.457 0.359 1.00 0.00 C ATOM 146 O LEU A 13 2.673 6.337 0.028 1.00 0.00 O ATOM 147 CB LEU A 13 1.536 9.068 1.486 1.00 0.00 C ATOM 148 CG LEU A 13 0.753 9.245 2.788 1.00 0.00 C ATOM 149 CD1 LEU A 13 0.243 10.684 2.886 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.436 8.281 2.802 1.00 0.00 C ATOM 0 H LEU A 13 3.710 9.714 2.482 1.00 0.00 H new ATOM 0 HA LEU A 13 2.329 7.272 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.943 10.025 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.873 8.719 0.695 1.00 0.00 H new ATOM 0 HG LEU A 13 1.405 9.032 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.315 10.810 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.089 11.371 2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.409 10.897 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.995 8.406 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.087 8.494 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.074 7.255 2.732 1.00 0.00 H new ATOM 162 N ILE A 14 3.834 8.215 -0.413 1.00 0.00 N ATOM 163 CA ILE A 14 4.276 7.748 -1.724 1.00 0.00 C ATOM 164 C ILE A 14 5.169 6.519 -1.574 1.00 0.00 C ATOM 165 O ILE A 14 4.908 5.468 -2.163 1.00 0.00 O ATOM 166 CB ILE A 14 5.055 8.850 -2.451 1.00 0.00 C ATOM 167 CG1 ILE A 14 4.189 10.110 -2.542 1.00 0.00 C ATOM 168 CG2 ILE A 14 5.419 8.385 -3.864 1.00 0.00 C ATOM 169 CD1 ILE A 14 5.087 11.349 -2.556 1.00 0.00 C ATOM 0 H ILE A 14 4.165 9.145 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 14 3.393 7.487 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 14 5.968 9.068 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.579 10.080 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.504 10.155 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.972 9.173 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.036 7.488 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.508 8.162 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.470 12.245 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.678 11.381 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.754 11.305 -3.417 1.00 0.00 H new ATOM 181 N SER A 15 6.228 6.663 -0.784 1.00 0.00 N ATOM 182 CA SER A 15 7.161 5.561 -0.567 1.00 0.00 C ATOM 183 C SER A 15 6.447 4.367 0.059 1.00 0.00 C ATOM 184 O SER A 15 6.781 3.213 -0.212 1.00 0.00 O ATOM 185 CB SER A 15 8.301 5.997 0.356 1.00 0.00 C ATOM 186 OG SER A 15 9.072 6.998 -0.295 1.00 0.00 O ATOM 0 H SER A 15 6.461 7.523 -0.287 1.00 0.00 H new ATOM 0 HA SER A 15 7.567 5.273 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.899 6.383 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.929 5.142 0.606 1.00 0.00 H new ATOM 0 HG SER A 15 8.701 7.882 -0.090 1.00 0.00 H new ATOM 192 N GLU A 16 5.456 4.655 0.899 1.00 0.00 N ATOM 193 CA GLU A 16 4.698 3.597 1.559 1.00 0.00 C ATOM 194 C GLU A 16 3.870 2.821 0.539 1.00 0.00 C ATOM 195 O GLU A 16 3.698 1.608 0.651 1.00 0.00 O ATOM 196 CB GLU A 16 3.762 4.185 2.616 1.00 0.00 C ATOM 197 CG GLU A 16 3.139 3.054 3.436 1.00 0.00 C ATOM 198 CD GLU A 16 4.211 2.403 4.303 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.557 2.984 5.318 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.669 1.332 3.940 1.00 0.00 O ATOM 0 H GLU A 16 5.162 5.602 1.137 1.00 0.00 H new ATOM 0 HA GLU A 16 5.409 2.925 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.314 4.860 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.980 4.774 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.337 3.444 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.693 2.313 2.773 1.00 0.00 H new ATOM 207 N GLU A 17 3.361 3.537 -0.459 1.00 0.00 N ATOM 208 CA GLU A 17 2.552 2.908 -1.499 1.00 0.00 C ATOM 209 C GLU A 17 3.403 1.961 -2.336 1.00 0.00 C ATOM 210 O GLU A 17 2.959 0.880 -2.722 1.00 0.00 O ATOM 211 CB GLU A 17 1.939 3.969 -2.416 1.00 0.00 C ATOM 212 CG GLU A 17 0.884 3.319 -3.313 1.00 0.00 C ATOM 213 CD GLU A 17 1.547 2.803 -4.587 1.00 0.00 C ATOM 214 OE1 GLU A 17 2.146 3.604 -5.286 1.00 0.00 O ATOM 215 OE2 GLU A 17 1.446 1.615 -4.843 1.00 0.00 O ATOM 0 H GLU A 17 3.492 4.542 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 17 1.756 2.346 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.487 4.762 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.716 4.431 -3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.398 2.498 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.107 4.042 -3.562 1.00 0.00 H new ATOM 222 N ASP A 18 4.636 2.380 -2.611 1.00 0.00 N ATOM 223 CA ASP A 18 5.550 1.561 -3.405 1.00 0.00 C ATOM 224 C ASP A 18 5.838 0.244 -2.693 1.00 0.00 C ATOM 225 O ASP A 18 5.906 -0.815 -3.318 1.00 0.00 O ATOM 226 CB ASP A 18 6.867 2.302 -3.638 1.00 0.00 C ATOM 227 CG ASP A 18 7.703 1.544 -4.663 1.00 0.00 C ATOM 228 OD1 ASP A 18 8.113 0.435 -4.362 1.00 0.00 O ATOM 229 OD2 ASP A 18 7.920 2.083 -5.736 1.00 0.00 O ATOM 0 H ASP A 18 5.023 3.271 -2.300 1.00 0.00 H new ATOM 0 HA ASP A 18 5.075 1.358 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.669 3.314 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.416 2.393 -2.701 1.00 0.00 H new ATOM 234 N LEU A 19 6.005 0.322 -1.376 1.00 0.00 N ATOM 235 CA LEU A 19 6.287 -0.872 -0.581 1.00 0.00 C ATOM 236 C LEU A 19 5.124 -1.855 -0.672 1.00 0.00 C ATOM 237 O LEU A 19 5.317 -3.071 -0.638 1.00 0.00 O ATOM 238 CB LEU A 19 6.511 -0.498 0.884 1.00 0.00 C ATOM 239 CG LEU A 19 7.290 -1.616 1.581 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.792 -1.369 1.418 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.936 -1.631 3.070 1.00 0.00 C ATOM 0 H LEU A 19 5.951 1.188 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 19 7.190 -1.337 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.062 0.440 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.554 -0.342 1.381 1.00 0.00 H new ATOM 0 HG LEU A 19 7.028 -2.575 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.348 -2.165 1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.046 -1.356 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.054 -0.410 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.490 -2.427 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.199 -0.672 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.866 -1.805 3.188 1.00 0.00 H new ATOM 253 N LEU A 20 3.916 -1.315 -0.790 1.00 0.00 N ATOM 254 CA LEU A 20 2.723 -2.152 -0.886 1.00 0.00 C ATOM 255 C LEU A 20 2.706 -2.903 -2.214 1.00 0.00 C ATOM 256 O LEU A 20 2.279 -4.054 -2.287 1.00 0.00 O ATOM 257 CB LEU A 20 1.457 -1.298 -0.779 1.00 0.00 C ATOM 258 CG LEU A 20 1.029 -1.200 0.685 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.254 0.099 0.906 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.135 -2.392 1.034 1.00 0.00 C ATOM 0 H LEU A 20 3.736 -0.311 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 20 2.747 -2.867 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.642 -0.302 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.657 -1.739 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 20 1.913 -1.207 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.051 0.168 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.890 0.949 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.630 0.108 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.171 -2.324 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.748 -2.384 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.687 -3.319 0.878 1.00 0.00 H new ATOM 272 N ARG A 21 3.179 -2.236 -3.263 1.00 0.00 N ATOM 273 CA ARG A 21 3.216 -2.847 -4.589 1.00 0.00 C ATOM 274 C ARG A 21 4.116 -4.078 -4.582 1.00 0.00 C ATOM 275 O ARG A 21 3.825 -5.082 -5.231 1.00 0.00 O ATOM 276 CB ARG A 21 3.744 -1.851 -5.623 1.00 0.00 C ATOM 277 CG ARG A 21 2.847 -0.612 -5.644 1.00 0.00 C ATOM 278 CD ARG A 21 3.038 0.136 -6.965 1.00 0.00 C ATOM 279 NE ARG A 21 4.457 0.419 -7.197 1.00 0.00 N ATOM 280 CZ ARG A 21 4.911 0.864 -8.378 1.00 0.00 C ATOM 281 NH1 ARG A 21 4.098 1.068 -9.387 1.00 0.00 N ATOM 282 NH2 ARG A 21 6.187 1.100 -8.526 1.00 0.00 N ATOM 0 H ARG A 21 3.539 -1.282 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 21 2.200 -3.140 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.768 -1.567 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.767 -2.313 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.803 -0.904 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.091 0.041 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.641 -0.460 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.474 1.069 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 21 5.120 0.273 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.100 0.888 -9.282 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.464 1.407 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.828 0.946 -7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.543 1.439 -9.420 1.00 0.00 H new ATOM 296 N LYS A 22 5.214 -3.989 -3.835 1.00 0.00 N ATOM 297 CA LYS A 22 6.155 -5.101 -3.745 1.00 0.00 C ATOM 298 C LYS A 22 5.619 -6.179 -2.807 1.00 0.00 C ATOM 299 O LYS A 22 5.886 -7.367 -2.987 1.00 0.00 O ATOM 300 CB LYS A 22 7.510 -4.616 -3.224 1.00 0.00 C ATOM 301 CG LYS A 22 8.384 -4.181 -4.402 1.00 0.00 C ATOM 302 CD LYS A 22 9.772 -3.791 -3.891 1.00 0.00 C ATOM 303 CE LYS A 22 10.815 -4.082 -4.972 1.00 0.00 C ATOM 304 NZ LYS A 22 12.181 -3.971 -4.387 1.00 0.00 N ATOM 0 H LYS A 22 5.472 -3.167 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 22 6.279 -5.518 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.370 -3.783 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.003 -5.412 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.466 -4.991 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.924 -3.338 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.790 -2.733 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.007 -4.349 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.663 -5.081 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.704 -3.380 -5.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.890 -4.169 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.324 -3.009 -4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.284 -4.658 -3.613 1.00 0.00 H new ATOM 318 N ARG A 23 4.858 -5.751 -1.801 1.00 0.00 N ATOM 319 CA ARG A 23 4.288 -6.687 -0.836 1.00 0.00 C ATOM 320 C ARG A 23 3.363 -7.679 -1.534 1.00 0.00 C ATOM 321 O ARG A 23 3.557 -8.893 -1.456 1.00 0.00 O ATOM 322 CB ARG A 23 3.494 -5.935 0.235 1.00 0.00 C ATOM 323 CG ARG A 23 3.272 -6.847 1.441 1.00 0.00 C ATOM 324 CD ARG A 23 4.410 -6.654 2.444 1.00 0.00 C ATOM 325 NE ARG A 23 4.614 -7.870 3.235 1.00 0.00 N ATOM 326 CZ ARG A 23 5.475 -7.917 4.262 1.00 0.00 C ATOM 327 NH1 ARG A 23 6.181 -6.866 4.606 1.00 0.00 N ATOM 328 NH2 ARG A 23 5.615 -9.029 4.931 1.00 0.00 N ATOM 0 H ARG A 23 4.624 -4.772 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 23 5.111 -7.227 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.033 -5.038 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.536 -5.610 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.316 -6.619 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.229 -7.888 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.329 -6.400 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.181 -5.818 3.105 1.00 0.00 H new ATOM 0 HE ARG A 23 4.084 -8.708 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.080 -5.992 4.089 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.831 -6.922 5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.072 -9.852 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.267 -9.075 5.714 1.00 0.00 H new ATOM 342 N ARG A 24 2.352 -7.149 -2.218 1.00 0.00 N ATOM 343 CA ARG A 24 1.399 -7.997 -2.929 1.00 0.00 C ATOM 344 C ARG A 24 2.107 -8.818 -4.003 1.00 0.00 C ATOM 345 O ARG A 24 1.706 -9.941 -4.313 1.00 0.00 O ATOM 346 CB ARG A 24 0.304 -7.150 -3.584 1.00 0.00 C ATOM 347 CG ARG A 24 0.940 -6.110 -4.514 1.00 0.00 C ATOM 348 CD ARG A 24 0.138 -4.806 -4.459 1.00 0.00 C ATOM 349 NE ARG A 24 -0.057 -4.263 -5.807 1.00 0.00 N ATOM 350 CZ ARG A 24 -0.803 -4.893 -6.727 1.00 0.00 C ATOM 351 NH1 ARG A 24 -1.397 -6.030 -6.460 1.00 0.00 N ATOM 352 NH2 ARG A 24 -0.939 -4.360 -7.911 1.00 0.00 N ATOM 0 H ARG A 24 2.172 -6.148 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 24 0.946 -8.670 -2.201 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.375 -7.789 -4.148 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.290 -6.652 -2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.972 -5.926 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.965 -6.489 -5.536 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.829 -4.987 -3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.661 -4.077 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 24 0.388 -3.379 -6.053 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.297 -6.453 -5.537 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.960 -6.492 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.481 -3.475 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.503 -4.829 -8.620 1.00 0.00 H new ATOM 366 N GLU A 25 3.169 -8.247 -4.567 1.00 0.00 N ATOM 367 CA GLU A 25 3.930 -8.935 -5.607 1.00 0.00 C ATOM 368 C GLU A 25 4.536 -10.221 -5.055 1.00 0.00 C ATOM 369 O GLU A 25 4.538 -11.259 -5.717 1.00 0.00 O ATOM 370 CB GLU A 25 5.054 -8.039 -6.131 1.00 0.00 C ATOM 371 CG GLU A 25 5.687 -8.683 -7.365 1.00 0.00 C ATOM 372 CD GLU A 25 6.322 -7.603 -8.235 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.729 -6.544 -8.356 1.00 0.00 O ATOM 374 OE2 GLU A 25 7.391 -7.850 -8.766 1.00 0.00 O ATOM 0 H GLU A 25 3.519 -7.320 -4.325 1.00 0.00 H new ATOM 0 HA GLU A 25 3.248 -9.173 -6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.661 -7.054 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.808 -7.893 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.440 -9.410 -7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.931 -9.225 -7.934 1.00 0.00 H new ATOM 381 N GLN A 26 5.049 -10.140 -3.830 1.00 0.00 N ATOM 382 CA GLN A 26 5.657 -11.305 -3.191 1.00 0.00 C ATOM 383 C GLN A 26 4.579 -12.224 -2.628 1.00 0.00 C ATOM 384 O GLN A 26 4.734 -13.444 -2.602 1.00 0.00 O ATOM 385 CB GLN A 26 6.585 -10.868 -2.056 1.00 0.00 C ATOM 386 CG GLN A 26 7.457 -12.050 -1.626 1.00 0.00 C ATOM 387 CD GLN A 26 8.274 -11.660 -0.399 1.00 0.00 C ATOM 388 OE1 GLN A 26 7.725 -11.466 0.686 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.568 -11.530 -0.506 1.00 0.00 N ATOM 0 H GLN A 26 5.057 -9.291 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 26 6.234 -11.841 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.213 -10.039 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.999 -10.508 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.832 -12.914 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.121 -12.341 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.024 -11.690 -1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.123 -11.268 0.308 1.00 0.00 H new ATOM 398 N LEU A 27 3.481 -11.622 -2.179 1.00 0.00 N ATOM 399 CA LEU A 27 2.376 -12.393 -1.617 1.00 0.00 C ATOM 400 C LEU A 27 1.782 -13.317 -2.675 1.00 0.00 C ATOM 401 O LEU A 27 1.673 -14.528 -2.472 1.00 0.00 O ATOM 402 CB LEU A 27 1.279 -11.461 -1.098 1.00 0.00 C ATOM 403 CG LEU A 27 1.673 -10.926 0.280 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.904 -9.637 0.566 1.00 0.00 C ATOM 405 CD2 LEU A 27 1.335 -11.970 1.347 1.00 0.00 C ATOM 0 H LEU A 27 3.333 -10.613 -2.193 1.00 0.00 H new ATOM 0 HA LEU A 27 2.767 -12.987 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.131 -10.634 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.332 -11.997 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 27 2.743 -10.721 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.185 -9.256 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.144 -8.894 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.167 -9.841 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.615 -11.590 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.265 -12.175 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.884 -12.889 1.143 1.00 0.00 H new ATOM 417 N LYS A 28 1.398 -12.733 -3.807 1.00 0.00 N ATOM 418 CA LYS A 28 0.815 -13.513 -4.897 1.00 0.00 C ATOM 419 C LYS A 28 1.810 -14.556 -5.399 1.00 0.00 C ATOM 420 O LYS A 28 1.428 -15.644 -5.830 1.00 0.00 O ATOM 421 CB LYS A 28 0.414 -12.600 -6.060 1.00 0.00 C ATOM 422 CG LYS A 28 1.629 -11.789 -6.522 1.00 0.00 C ATOM 423 CD LYS A 28 2.278 -12.477 -7.724 1.00 0.00 C ATOM 424 CE LYS A 28 1.670 -11.930 -9.017 1.00 0.00 C ATOM 425 NZ LYS A 28 2.336 -12.564 -10.189 1.00 0.00 N ATOM 0 H LYS A 28 1.478 -11.733 -3.994 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.073 -14.015 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.027 -13.196 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.387 -11.929 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.323 -10.778 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.349 -11.699 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.355 -12.307 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.125 -13.555 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.599 -12.132 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.791 -10.848 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.922 -12.191 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.353 -12.350 -10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.198 -13.594 -10.151 1.00 0.00 H new ATOM 439 N HIS A 29 3.094 -14.210 -5.338 1.00 0.00 N ATOM 440 CA HIS A 29 4.139 -15.126 -5.788 1.00 0.00 C ATOM 441 C HIS A 29 4.146 -16.386 -4.928 1.00 0.00 C ATOM 442 O HIS A 29 4.445 -17.479 -5.406 1.00 0.00 O ATOM 443 CB HIS A 29 5.513 -14.455 -5.701 1.00 0.00 C ATOM 444 CG HIS A 29 5.827 -13.779 -7.009 1.00 0.00 C ATOM 445 ND1 HIS A 29 5.580 -14.383 -8.233 1.00 0.00 N ATOM 446 CD2 HIS A 29 6.369 -12.551 -7.300 1.00 0.00 C ATOM 447 CE1 HIS A 29 5.969 -13.525 -9.194 1.00 0.00 C ATOM 448 NE2 HIS A 29 6.459 -12.394 -8.680 1.00 0.00 N ATOM 0 H HIS A 29 3.433 -13.314 -4.986 1.00 0.00 H new ATOM 0 HA HIS A 29 3.931 -15.393 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 29 5.522 -13.725 -4.891 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.278 -15.197 -5.470 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.678 -11.819 -6.569 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.894 -13.727 -10.252 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.821 -11.588 -9.189 1.00 0.00 H new ATOM 647 N LYS B 9 -4.709 15.865 -1.411 1.00 0.00 N ATOM 648 CA LYS B 9 -3.601 15.118 -2.000 1.00 0.00 C ATOM 649 C LYS B 9 -3.328 13.850 -1.196 1.00 0.00 C ATOM 650 O LYS B 9 -3.124 12.774 -1.757 1.00 0.00 O ATOM 651 CB LYS B 9 -2.333 15.973 -2.027 1.00 0.00 C ATOM 652 CG LYS B 9 -2.350 16.874 -3.263 1.00 0.00 C ATOM 653 CD LYS B 9 -3.091 18.172 -2.939 1.00 0.00 C ATOM 654 CE LYS B 9 -2.708 19.248 -3.958 1.00 0.00 C ATOM 655 NZ LYS B 9 -3.257 18.884 -5.294 1.00 0.00 N ATOM 0 HA LYS B 9 -3.879 14.850 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -2.271 16.579 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.451 15.333 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -1.330 17.094 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.838 16.362 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -4.168 18.003 -2.960 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -2.840 18.505 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -3.098 20.216 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.624 19.343 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -3.116 19.675 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -2.766 18.041 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -4.274 18.682 -5.208 1.00 0.00 H new ATOM 669 N ASN B 10 -3.327 13.992 0.126 1.00 0.00 N ATOM 670 CA ASN B 10 -3.078 12.852 1.005 1.00 0.00 C ATOM 671 C ASN B 10 -4.217 11.841 0.906 1.00 0.00 C ATOM 672 O ASN B 10 -4.011 10.637 1.054 1.00 0.00 O ATOM 673 CB ASN B 10 -2.945 13.314 2.458 1.00 0.00 C ATOM 674 CG ASN B 10 -1.490 13.657 2.758 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.980 13.348 3.835 1.00 0.00 O ATOM 676 ND2 ASN B 10 -0.786 14.285 1.860 1.00 0.00 N ATOM 0 H ASN B 10 -3.494 14.875 0.609 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.147 12.381 0.688 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.577 14.185 2.632 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.290 12.530 3.132 1.00 0.00 H new ATOM 0 HD21 ASN B 10 0.188 14.521 2.049 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.209 14.541 0.968 1.00 0.00 H new ATOM 683 N ASP B 11 -5.423 12.347 0.655 1.00 0.00 N ATOM 684 CA ASP B 11 -6.593 11.478 0.538 1.00 0.00 C ATOM 685 C ASP B 11 -6.414 10.492 -0.612 1.00 0.00 C ATOM 686 O ASP B 11 -6.673 9.297 -0.471 1.00 0.00 O ATOM 687 CB ASP B 11 -7.853 12.311 0.290 1.00 0.00 C ATOM 688 CG ASP B 11 -8.489 12.679 1.626 1.00 0.00 C ATOM 689 OD1 ASP B 11 -8.572 11.812 2.481 1.00 0.00 O ATOM 690 OD2 ASP B 11 -8.884 13.823 1.776 1.00 0.00 O ATOM 0 H ASP B 11 -5.615 13.341 0.530 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.699 10.928 1.473 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.601 13.214 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -8.560 11.748 -0.319 1.00 0.00 H new ATOM 695 N THR B 12 -5.965 11.007 -1.754 1.00 0.00 N ATOM 696 CA THR B 12 -5.752 10.162 -2.926 1.00 0.00 C ATOM 697 C THR B 12 -4.667 9.129 -2.645 1.00 0.00 C ATOM 698 O THR B 12 -4.712 8.005 -3.145 1.00 0.00 O ATOM 699 CB THR B 12 -5.335 11.010 -4.130 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.209 11.803 -3.779 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.493 11.919 -4.544 1.00 0.00 C ATOM 0 H THR B 12 -5.744 11.993 -1.893 1.00 0.00 H new ATOM 0 HA THR B 12 -6.690 9.653 -3.150 1.00 0.00 H new ATOM 0 HB THR B 12 -5.076 10.357 -4.963 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.052 11.739 -2.814 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.194 12.522 -5.401 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.356 11.310 -4.812 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.756 12.574 -3.714 1.00 0.00 H new ATOM 709 N HIS B 13 -3.688 9.524 -1.834 1.00 0.00 N ATOM 710 CA HIS B 13 -2.592 8.626 -1.486 1.00 0.00 C ATOM 711 C HIS B 13 -3.102 7.463 -0.644 1.00 0.00 C ATOM 712 O HIS B 13 -2.640 6.329 -0.777 1.00 0.00 O ATOM 713 CB HIS B 13 -1.516 9.375 -0.695 1.00 0.00 C ATOM 714 CG HIS B 13 -0.600 10.094 -1.646 1.00 0.00 C ATOM 715 ND1 HIS B 13 0.050 9.441 -2.682 1.00 0.00 N ATOM 716 CD2 HIS B 13 -0.214 11.409 -1.730 1.00 0.00 C ATOM 717 CE1 HIS B 13 0.787 10.357 -3.339 1.00 0.00 C ATOM 718 NE2 HIS B 13 0.662 11.573 -2.799 1.00 0.00 N ATOM 0 H HIS B 13 -3.632 10.450 -1.410 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.164 8.245 -2.413 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -1.981 10.087 -0.013 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -0.946 8.675 -0.084 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.541 12.197 -1.067 1.00 0.00 H new ATOM 0 HE1 HIS B 13 1.404 10.136 -4.198 1.00 0.00 H new ATOM 0 HE2 HIS B 13 1.112 12.436 -3.105 1.00 0.00 H new ATOM 726 N GLN B 14 -4.064 7.759 0.225 1.00 0.00 N ATOM 727 CA GLN B 14 -4.638 6.732 1.091 1.00 0.00 C ATOM 728 C GLN B 14 -5.481 5.756 0.277 1.00 0.00 C ATOM 729 O GLN B 14 -5.548 4.567 0.585 1.00 0.00 O ATOM 730 CB GLN B 14 -5.515 7.372 2.168 1.00 0.00 C ATOM 731 CG GLN B 14 -5.846 6.333 3.242 1.00 0.00 C ATOM 732 CD GLN B 14 -5.935 7.015 4.603 1.00 0.00 C ATOM 733 OE1 GLN B 14 -4.941 7.111 5.323 1.00 0.00 O ATOM 734 NE2 GLN B 14 -7.078 7.502 5.001 1.00 0.00 N ATOM 0 H GLN B 14 -4.460 8.691 0.349 1.00 0.00 H new ATOM 0 HA GLN B 14 -3.817 6.193 1.564 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -4.998 8.221 2.615 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -6.433 7.756 1.723 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.790 5.841 3.008 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.079 5.558 3.262 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -7.902 7.423 4.405 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -7.148 7.962 5.909 1.00 0.00 H new ATOM 743 N GLN B 15 -6.128 6.273 -0.765 1.00 0.00 N ATOM 744 CA GLN B 15 -6.967 5.439 -1.620 1.00 0.00 C ATOM 745 C GLN B 15 -6.142 4.332 -2.268 1.00 0.00 C ATOM 746 O GLN B 15 -6.469 3.150 -2.163 1.00 0.00 O ATOM 747 CB GLN B 15 -7.619 6.281 -2.718 1.00 0.00 C ATOM 748 CG GLN B 15 -8.831 5.537 -3.283 1.00 0.00 C ATOM 749 CD GLN B 15 -8.382 4.609 -4.405 1.00 0.00 C ATOM 750 OE1 GLN B 15 -8.225 3.406 -4.198 1.00 0.00 O ATOM 751 NE2 GLN B 15 -8.162 5.101 -5.594 1.00 0.00 N ATOM 0 H GLN B 15 -6.088 7.256 -1.035 1.00 0.00 H new ATOM 0 HA GLN B 15 -7.741 4.994 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.927 7.246 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -6.900 6.481 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.318 4.963 -2.495 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -9.566 6.249 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -8.292 6.098 -5.765 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -7.860 4.488 -6.352 1.00 0.00 H new ATOM 760 N ASP B 16 -5.063 4.729 -2.939 1.00 0.00 N ATOM 761 CA ASP B 16 -4.191 3.761 -3.599 1.00 0.00 C ATOM 762 C ASP B 16 -3.575 2.817 -2.573 1.00 0.00 C ATOM 763 O ASP B 16 -3.471 1.613 -2.796 1.00 0.00 O ATOM 764 CB ASP B 16 -3.069 4.477 -4.355 1.00 0.00 C ATOM 765 CG ASP B 16 -2.580 3.594 -5.498 1.00 0.00 C ATOM 766 OD1 ASP B 16 -2.002 2.559 -5.215 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.793 3.968 -6.641 1.00 0.00 O ATOM 0 H ASP B 16 -4.774 5.702 -3.039 1.00 0.00 H new ATOM 0 HA ASP B 16 -4.795 3.190 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -3.429 5.429 -4.745 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -2.245 4.702 -3.677 1.00 0.00 H new ATOM 772 N ILE B 17 -3.172 3.383 -1.439 1.00 0.00 N ATOM 773 CA ILE B 17 -2.567 2.592 -0.370 1.00 0.00 C ATOM 774 C ILE B 17 -3.567 1.558 0.148 1.00 0.00 C ATOM 775 O ILE B 17 -3.394 0.354 -0.037 1.00 0.00 O ATOM 776 CB ILE B 17 -2.114 3.522 0.783 1.00 0.00 C ATOM 777 CG1 ILE B 17 -0.737 4.101 0.444 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.024 2.768 2.127 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.477 5.338 1.305 1.00 0.00 C ATOM 0 H ILE B 17 -3.252 4.379 -1.236 1.00 0.00 H new ATOM 0 HA ILE B 17 -1.696 2.069 -0.765 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.855 4.314 0.889 1.00 0.00 H new ATOM 0 HG12 ILE B 17 0.037 3.354 0.620 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -0.692 4.364 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -1.703 3.456 2.909 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.002 2.360 2.381 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.303 1.955 2.041 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.503 5.750 1.064 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.244 6.087 1.107 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.504 5.060 2.359 1.00 0.00 H new ATOM 791 N ASP B 18 -4.594 2.053 0.837 1.00 0.00 N ATOM 792 CA ASP B 18 -5.611 1.188 1.431 1.00 0.00 C ATOM 793 C ASP B 18 -6.077 0.105 0.451 1.00 0.00 C ATOM 794 O ASP B 18 -6.323 -1.038 0.838 1.00 0.00 O ATOM 795 CB ASP B 18 -6.819 2.017 1.872 1.00 0.00 C ATOM 796 CG ASP B 18 -6.659 2.420 3.336 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.593 2.902 3.683 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.603 2.241 4.087 1.00 0.00 O ATOM 0 H ASP B 18 -4.744 3.049 0.998 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.158 0.701 2.294 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -6.910 2.906 1.248 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -7.735 1.441 1.741 1.00 0.00 H new ATOM 803 N ASP B 19 -6.184 0.478 -0.822 1.00 0.00 N ATOM 804 CA ASP B 19 -6.610 -0.471 -1.846 1.00 0.00 C ATOM 805 C ASP B 19 -5.577 -1.584 -1.982 1.00 0.00 C ATOM 806 O ASP B 19 -5.917 -2.755 -2.155 1.00 0.00 O ATOM 807 CB ASP B 19 -6.771 0.231 -3.196 1.00 0.00 C ATOM 808 CG ASP B 19 -7.628 -0.630 -4.118 1.00 0.00 C ATOM 809 OD1 ASP B 19 -7.315 -1.800 -4.265 1.00 0.00 O ATOM 810 OD2 ASP B 19 -8.586 -0.107 -4.663 1.00 0.00 O ATOM 0 H ASP B 19 -5.985 1.417 -1.166 1.00 0.00 H new ATOM 0 HA ASP B 19 -7.570 -0.892 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -7.235 1.207 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -5.794 0.404 -3.647 1.00 0.00 H new ATOM 815 N LEU B 20 -4.306 -1.199 -1.893 1.00 0.00 N ATOM 816 CA LEU B 20 -3.214 -2.162 -1.998 1.00 0.00 C ATOM 817 C LEU B 20 -3.096 -2.965 -0.705 1.00 0.00 C ATOM 818 O LEU B 20 -2.774 -4.153 -0.721 1.00 0.00 O ATOM 819 CB LEU B 20 -1.890 -1.442 -2.255 1.00 0.00 C ATOM 820 CG LEU B 20 -1.933 -0.768 -3.628 1.00 0.00 C ATOM 821 CD1 LEU B 20 -0.848 0.311 -3.702 1.00 0.00 C ATOM 822 CD2 LEU B 20 -1.686 -1.814 -4.717 1.00 0.00 C ATOM 0 H LEU B 20 -4.009 -0.234 -1.749 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.430 -2.832 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -1.712 -0.698 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.064 -2.152 -2.212 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.911 -0.311 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -0.879 0.791 -4.680 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.023 1.056 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU B 20 0.130 -0.146 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -1.716 -1.335 -5.695 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -0.708 -2.271 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.457 -2.582 -4.665 1.00 0.00 H new ATOM 834 N LYS B 21 -3.361 -2.296 0.413 1.00 0.00 N ATOM 835 CA LYS B 21 -3.283 -2.947 1.718 1.00 0.00 C ATOM 836 C LYS B 21 -4.462 -3.893 1.914 1.00 0.00 C ATOM 837 O LYS B 21 -4.321 -4.976 2.481 1.00 0.00 O ATOM 838 CB LYS B 21 -3.291 -1.904 2.838 1.00 0.00 C ATOM 839 CG LYS B 21 -2.488 -2.426 4.030 1.00 0.00 C ATOM 840 CD LYS B 21 -1.813 -1.253 4.745 1.00 0.00 C ATOM 841 CE LYS B 21 -0.674 -1.777 5.622 1.00 0.00 C ATOM 842 NZ LYS B 21 -1.221 -2.225 6.934 1.00 0.00 N ATOM 0 H LYS B 21 -3.629 -1.312 0.443 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.353 -3.514 1.755 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.863 -0.968 2.480 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.316 -1.690 3.142 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.144 -2.957 4.720 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.737 -3.140 3.691 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -1.426 -0.542 4.015 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.540 -0.719 5.356 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.170 -2.605 5.125 1.00 0.00 H new ATOM 0 HE3 LYS B 21 0.071 -0.996 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -0.446 -2.581 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.683 -1.424 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.916 -2.983 6.780 1.00 0.00 H new ATOM 856 N ARG B 22 -5.631 -3.469 1.438 1.00 0.00 N ATOM 857 CA ARG B 22 -6.835 -4.285 1.564 1.00 0.00 C ATOM 858 C ARG B 22 -6.664 -5.606 0.822 1.00 0.00 C ATOM 859 O ARG B 22 -7.051 -6.667 1.314 1.00 0.00 O ATOM 860 CB ARG B 22 -8.047 -3.547 0.991 1.00 0.00 C ATOM 861 CG ARG B 22 -8.621 -2.605 2.053 1.00 0.00 C ATOM 862 CD ARG B 22 -10.140 -2.531 1.903 1.00 0.00 C ATOM 863 NE ARG B 22 -10.786 -3.619 2.643 1.00 0.00 N ATOM 864 CZ ARG B 22 -12.086 -3.909 2.494 1.00 0.00 C ATOM 865 NH1 ARG B 22 -12.846 -3.226 1.671 1.00 0.00 N ATOM 866 NH2 ARG B 22 -12.605 -4.891 3.180 1.00 0.00 N ATOM 0 H ARG B 22 -5.769 -2.575 0.967 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.997 -4.481 2.624 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -7.756 -2.981 0.106 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.806 -4.263 0.676 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.361 -2.962 3.049 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.186 -1.611 1.946 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.501 -1.570 2.270 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.410 -2.591 0.849 1.00 0.00 H new ATOM 0 HE ARG B 22 -10.228 -4.173 3.292 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -12.450 -2.458 1.130 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -13.833 -3.463 1.573 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.022 -5.429 3.822 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -13.593 -5.120 3.074 1.00 0.00 H new ATOM 880 N GLN B 23 -6.078 -5.531 -0.369 1.00 0.00 N ATOM 881 CA GLN B 23 -5.857 -6.729 -1.176 1.00 0.00 C ATOM 882 C GLN B 23 -4.813 -7.628 -0.520 1.00 0.00 C ATOM 883 O GLN B 23 -4.872 -8.853 -0.626 1.00 0.00 O ATOM 884 CB GLN B 23 -5.377 -6.349 -2.579 1.00 0.00 C ATOM 885 CG GLN B 23 -5.914 -7.360 -3.594 1.00 0.00 C ATOM 886 CD GLN B 23 -4.892 -8.473 -3.793 1.00 0.00 C ATOM 887 OE1 GLN B 23 -5.191 -9.646 -3.570 1.00 0.00 O ATOM 888 NE2 GLN B 23 -3.690 -8.173 -4.204 1.00 0.00 N ATOM 0 H GLN B 23 -5.750 -4.664 -0.794 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.804 -7.265 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.720 -5.346 -2.833 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.288 -6.331 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.858 -7.777 -3.243 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.118 -6.865 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -3.442 -7.201 -4.389 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -2.999 -8.911 -4.340 1.00 0.00 H new ATOM 897 N ASN B 24 -3.857 -7.004 0.163 1.00 0.00 N ATOM 898 CA ASN B 24 -2.800 -7.755 0.835 1.00 0.00 C ATOM 899 C ASN B 24 -3.295 -8.293 2.175 1.00 0.00 C ATOM 900 O ASN B 24 -2.868 -9.354 2.629 1.00 0.00 O ATOM 901 CB ASN B 24 -1.582 -6.862 1.079 1.00 0.00 C ATOM 902 CG ASN B 24 -0.712 -6.836 -0.175 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.684 -7.800 -0.938 1.00 0.00 O ATOM 904 ND2 ASN B 24 0.006 -5.777 -0.433 1.00 0.00 N ATOM 0 H ASN B 24 -3.792 -5.991 0.266 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.519 -8.588 0.190 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.903 -5.852 1.333 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -1.007 -7.236 1.926 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.591 -5.749 -1.268 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.018 -4.978 0.200 1.00 0.00 H new ATOM 911 N ALA B 25 -4.200 -7.547 2.802 1.00 0.00 N ATOM 912 CA ALA B 25 -4.750 -7.957 4.094 1.00 0.00 C ATOM 913 C ALA B 25 -5.470 -9.296 3.970 1.00 0.00 C ATOM 914 O ALA B 25 -5.342 -10.168 4.829 1.00 0.00 O ATOM 915 CB ALA B 25 -5.735 -6.907 4.612 1.00 0.00 C ATOM 0 H ALA B 25 -4.566 -6.665 2.443 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.921 -8.056 4.795 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -6.135 -7.227 5.574 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -5.221 -5.954 4.732 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.552 -6.791 3.899 1.00 0.00 H new ATOM 921 N LEU B 26 -6.231 -9.448 2.890 1.00 0.00 N ATOM 922 CA LEU B 26 -6.969 -10.686 2.659 1.00 0.00 C ATOM 923 C LEU B 26 -6.040 -11.767 2.118 1.00 0.00 C ATOM 924 O LEU B 26 -6.221 -12.955 2.392 1.00 0.00 O ATOM 925 CB LEU B 26 -8.102 -10.455 1.656 1.00 0.00 C ATOM 926 CG LEU B 26 -9.309 -9.855 2.377 1.00 0.00 C ATOM 927 CD1 LEU B 26 -10.257 -9.227 1.354 1.00 0.00 C ATOM 928 CD2 LEU B 26 -10.046 -10.958 3.140 1.00 0.00 C ATOM 0 H LEU B 26 -6.352 -8.738 2.168 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.388 -11.010 3.612 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -7.769 -9.785 0.863 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -8.380 -11.396 1.182 1.00 0.00 H new ATOM 0 HG LEU B 26 -8.970 -9.090 3.076 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -11.117 -8.800 1.869 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -9.734 -8.442 0.808 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -10.596 -9.991 0.655 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.907 -10.531 3.655 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -10.384 -11.722 2.439 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -9.373 -11.407 3.870 1.00 0.00 H new ATOM 940 N LEU B 27 -5.043 -11.345 1.348 1.00 0.00 N ATOM 941 CA LEU B 27 -4.086 -12.285 0.769 1.00 0.00 C ATOM 942 C LEU B 27 -3.316 -13.006 1.872 1.00 0.00 C ATOM 943 O LEU B 27 -3.306 -14.234 1.941 1.00 0.00 O ATOM 944 CB LEU B 27 -3.092 -11.553 -0.134 1.00 0.00 C ATOM 945 CG LEU B 27 -3.678 -11.429 -1.541 1.00 0.00 C ATOM 946 CD1 LEU B 27 -2.857 -10.423 -2.351 1.00 0.00 C ATOM 947 CD2 LEU B 27 -3.632 -12.795 -2.233 1.00 0.00 C ATOM 0 H LEU B 27 -4.876 -10.367 1.111 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.644 -13.011 0.178 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.877 -10.564 0.270 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.147 -12.096 -0.168 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.711 -11.086 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.275 -10.335 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -2.886 -9.450 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -1.824 -10.766 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.049 -12.709 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -2.599 -13.135 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.215 -13.514 -1.658 1.00 0.00 H new ATOM 959 N GLU B 28 -2.669 -12.224 2.733 1.00 0.00 N ATOM 960 CA GLU B 28 -1.895 -12.786 3.829 1.00 0.00 C ATOM 961 C GLU B 28 -2.786 -13.610 4.755 1.00 0.00 C ATOM 962 O GLU B 28 -2.344 -14.588 5.358 1.00 0.00 O ATOM 963 CB GLU B 28 -1.242 -11.661 4.631 1.00 0.00 C ATOM 964 CG GLU B 28 -2.312 -10.666 5.100 1.00 0.00 C ATOM 965 CD GLU B 28 -2.634 -10.907 6.573 1.00 0.00 C ATOM 966 OE1 GLU B 28 -2.568 -12.049 6.997 1.00 0.00 O ATOM 967 OE2 GLU B 28 -2.942 -9.943 7.256 1.00 0.00 O ATOM 0 H GLU B 28 -2.667 -11.205 2.691 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.128 -13.436 3.408 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.715 -12.074 5.491 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -0.500 -11.149 4.018 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.959 -9.645 4.958 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -3.214 -10.778 4.498 1.00 0.00 H new ATOM 974 N GLN B 29 -4.049 -13.203 4.859 1.00 0.00 N ATOM 975 CA GLN B 29 -5.002 -13.908 5.715 1.00 0.00 C ATOM 976 C GLN B 29 -5.154 -15.358 5.264 1.00 0.00 C ATOM 977 O GLN B 29 -5.313 -16.265 6.083 1.00 0.00 O ATOM 978 CB GLN B 29 -6.369 -13.225 5.668 1.00 0.00 C ATOM 979 CG GLN B 29 -6.454 -12.173 6.776 1.00 0.00 C ATOM 980 CD GLN B 29 -7.806 -11.472 6.708 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.801 -12.062 6.288 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.902 -10.230 7.102 1.00 0.00 N ATOM 0 H GLN B 29 -4.434 -12.397 4.367 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.619 -13.884 6.735 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.520 -12.757 4.695 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -7.161 -13.964 5.792 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -6.325 -12.644 7.750 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -5.649 -11.446 6.665 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.078 -9.740 7.450 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.801 -9.750 7.061 1.00 0.00 H new ATOM 991 N GLN B 30 -5.103 -15.567 3.952 1.00 0.00 N ATOM 992 CA GLN B 30 -5.235 -16.912 3.399 1.00 0.00 C ATOM 993 C GLN B 30 -3.886 -17.624 3.406 1.00 0.00 C ATOM 994 O GLN B 30 -3.806 -18.831 3.641 1.00 0.00 O ATOM 995 CB GLN B 30 -5.759 -16.852 1.962 1.00 0.00 C ATOM 996 CG GLN B 30 -6.600 -18.097 1.672 1.00 0.00 C ATOM 997 CD GLN B 30 -7.287 -17.944 0.320 1.00 0.00 C ATOM 998 OE1 GLN B 30 -6.635 -17.977 -0.723 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.581 -17.776 0.275 1.00 0.00 N ATOM 0 H GLN B 30 -4.973 -14.831 3.258 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.941 -17.463 4.020 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.360 -15.954 1.820 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -4.926 -16.792 1.262 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -5.967 -18.984 1.672 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.344 -18.237 2.456 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -9.122 -17.749 1.139 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -9.051 -17.672 -0.624 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.828 -16.863 3.148 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.480 -17.427 3.127 1.00 0.00 C ATOM 1010 C VAL B 31 -1.117 -17.972 4.506 1.00 0.00 C ATOM 1011 O VAL B 31 -0.436 -18.992 4.627 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.458 -16.359 2.720 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.926 -16.998 2.572 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -0.872 -15.735 1.381 1.00 0.00 C ATOM 0 H VAL B 31 -2.874 -15.863 2.952 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.460 -18.237 2.398 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.422 -15.587 3.489 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.650 -16.236 2.283 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.226 -17.441 3.522 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.889 -17.773 1.806 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.145 -14.976 1.093 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -0.911 -16.510 0.615 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -1.855 -15.275 1.482 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.579 -17.281 5.543 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.298 -17.702 6.913 1.00 0.00 C ATOM 1026 C ARG B 32 -1.985 -19.030 7.213 1.00 0.00 C ATOM 1027 O ARG B 32 -1.420 -19.905 7.868 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.790 -16.651 7.909 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.681 -15.626 8.160 1.00 0.00 C ATOM 1030 CD ARG B 32 0.208 -16.107 9.308 1.00 0.00 C ATOM 1031 NE ARG B 32 1.575 -15.602 9.148 1.00 0.00 N ATOM 1032 CZ ARG B 32 2.563 -15.940 9.990 1.00 0.00 C ATOM 1033 NH1 ARG B 32 2.349 -16.745 11.002 1.00 0.00 N ATOM 1034 NH2 ARG B 32 3.761 -15.459 9.796 1.00 0.00 N ATOM 0 H ARG B 32 -2.144 -16.435 5.464 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.219 -17.819 7.014 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -2.678 -16.153 7.520 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.077 -17.129 8.846 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.086 -15.490 7.257 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.116 -14.657 8.404 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -0.202 -15.768 10.259 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.218 -17.197 9.336 1.00 0.00 H new ATOM 0 HE ARG B 32 1.781 -14.974 8.372 1.00 0.00 H new ATOM 0 HH11 ARG B 32 1.417 -17.127 11.161 1.00 0.00 H new ATOM 0 HH12 ARG B 32 3.115 -16.989 11.630 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.938 -14.833 9.010 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.520 -15.709 10.430 1.00 0.00 H new ATOM 1048 N ALA B 33 -3.214 -19.169 6.724 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.977 -20.396 6.944 1.00 0.00 C ATOM 1050 C ALA B 33 -3.409 -21.533 6.102 1.00 0.00 C ATOM 1051 O ALA B 33 -3.423 -22.695 6.510 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.446 -20.188 6.573 1.00 0.00 C ATOM 0 H ALA B 33 -3.699 -18.457 6.179 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.903 -20.653 8.001 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.999 -21.112 6.743 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.868 -19.394 7.189 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.520 -19.910 5.522 1.00 0.00 H new ATOM 1058 N LEU B 34 -2.908 -21.185 4.919 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.336 -22.185 4.021 1.00 0.00 C ATOM 1060 C LEU B 34 -0.843 -21.939 3.834 1.00 0.00 C ATOM 1061 O LEU B 34 -0.431 -21.188 2.948 1.00 0.00 O ATOM 1062 CB LEU B 34 -3.024 -22.135 2.656 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.323 -22.940 2.710 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.403 -22.121 3.420 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -4.782 -23.262 1.285 1.00 0.00 C ATOM 0 H LEU B 34 -2.886 -20.229 4.563 1.00 0.00 H new ATOM 0 HA LEU B 34 -2.490 -23.167 4.468 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.235 -21.102 2.381 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -2.364 -22.540 1.889 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.153 -23.868 3.257 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.329 -22.695 3.458 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.077 -21.890 4.434 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.574 -21.193 2.874 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.708 -23.836 1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.952 -22.334 0.739 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -4.013 -23.846 0.778 1.00 0.00 H new