USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=6 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 Set 1.1: A 7 GLN : amide:sc= -0.991 X(o=-0.99,f=-1.1!) USER MOD Set 1.2: A 11 GLN : amide:sc= 0 X(o=-0.99,f=-1.1) USER MOD Single : A 12 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00229) USER MOD Single : A 15 SER OG : rot -35:sc= 0.271 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+ 154:sc= -0.0681 (180deg=-0.637) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -0.542 F(o=-1.1,f=-0.54) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -2.48! C(o=-2.5!,f=-7.2!) USER MOD Single : B 12 THR OG1 : rot 1:sc= 0.717 USER MOD Single : B 13 HIS :FLIP no HE2:sc= -1.07 F(o=-2.7,f=-1.1) USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 15 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.0086) USER MOD Single : B 24 ASN : amide:sc= -5.02! C(o=-5!,f=-18!) USER MOD Single : B 29 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 30 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 7 5.561 18.022 2.556 1.00 0.00 N ATOM 48 CA GLN A 7 6.547 17.352 1.712 1.00 0.00 C ATOM 49 C GLN A 7 6.998 16.045 2.356 1.00 0.00 C ATOM 50 O GLN A 7 7.243 15.051 1.673 1.00 0.00 O ATOM 51 CB GLN A 7 7.768 18.249 1.498 1.00 0.00 C ATOM 52 CG GLN A 7 8.376 17.966 0.124 1.00 0.00 C ATOM 53 CD GLN A 7 9.454 16.894 0.258 1.00 0.00 C ATOM 54 OE1 GLN A 7 9.159 15.700 0.214 1.00 0.00 O ATOM 55 NE2 GLN A 7 10.697 17.254 0.417 1.00 0.00 N ATOM 0 HA GLN A 7 6.079 17.142 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 7 7.479 19.298 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 7 8.507 18.067 2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 7 7.601 17.634 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A 7 8.804 18.878 -0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.941 18.244 0.453 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.426 16.546 0.505 1.00 0.00 H new ATOM 64 N ALA A 8 7.108 16.060 3.682 1.00 0.00 N ATOM 65 CA ALA A 8 7.532 14.870 4.414 1.00 0.00 C ATOM 66 C ALA A 8 6.364 13.904 4.584 1.00 0.00 C ATOM 67 O ALA A 8 6.514 12.692 4.430 1.00 0.00 O ATOM 68 CB ALA A 8 8.067 15.253 5.795 1.00 0.00 C ATOM 0 H ALA A 8 6.912 16.873 4.266 1.00 0.00 H new ATOM 0 HA ALA A 8 8.323 14.387 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.378 14.354 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.920 15.922 5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.284 15.757 6.362 1.00 0.00 H new ATOM 74 N GLU A 9 5.196 14.457 4.901 1.00 0.00 N ATOM 75 CA GLU A 9 4.003 13.636 5.090 1.00 0.00 C ATOM 76 C GLU A 9 3.629 12.935 3.789 1.00 0.00 C ATOM 77 O GLU A 9 3.265 11.759 3.783 1.00 0.00 O ATOM 78 CB GLU A 9 2.825 14.500 5.546 1.00 0.00 C ATOM 79 CG GLU A 9 2.813 14.582 7.073 1.00 0.00 C ATOM 80 CD GLU A 9 1.922 13.479 7.635 1.00 0.00 C ATOM 81 OE1 GLU A 9 2.410 12.371 7.790 1.00 0.00 O ATOM 82 OE2 GLU A 9 0.765 13.757 7.900 1.00 0.00 O ATOM 0 H GLU A 9 5.050 15.458 5.031 1.00 0.00 H new ATOM 0 HA GLU A 9 4.224 12.891 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.906 15.499 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.888 14.075 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.826 14.479 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.447 15.558 7.392 1.00 0.00 H new ATOM 89 N GLU A 10 3.724 13.671 2.685 1.00 0.00 N ATOM 90 CA GLU A 10 3.394 13.112 1.377 1.00 0.00 C ATOM 91 C GLU A 10 4.408 12.042 0.985 1.00 0.00 C ATOM 92 O GLU A 10 4.065 11.042 0.354 1.00 0.00 O ATOM 93 CB GLU A 10 3.392 14.209 0.311 1.00 0.00 C ATOM 94 CG GLU A 10 2.427 13.827 -0.815 1.00 0.00 C ATOM 95 CD GLU A 10 2.345 14.967 -1.823 1.00 0.00 C ATOM 96 OE1 GLU A 10 1.873 16.029 -1.451 1.00 0.00 O ATOM 97 OE2 GLU A 10 2.755 14.763 -2.954 1.00 0.00 O ATOM 0 H GLU A 10 4.024 14.646 2.669 1.00 0.00 H new ATOM 0 HA GLU A 10 2.401 12.667 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.093 15.160 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.397 14.345 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.768 12.916 -1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.439 13.617 -0.406 1.00 0.00 H new ATOM 104 N GLN A 11 5.662 12.264 1.367 1.00 0.00 N ATOM 105 CA GLN A 11 6.726 11.314 1.052 1.00 0.00 C ATOM 106 C GLN A 11 6.448 9.963 1.705 1.00 0.00 C ATOM 107 O GLN A 11 6.802 8.913 1.169 1.00 0.00 O ATOM 108 CB GLN A 11 8.075 11.837 1.547 1.00 0.00 C ATOM 109 CG GLN A 11 9.202 11.195 0.735 1.00 0.00 C ATOM 110 CD GLN A 11 9.467 12.027 -0.514 1.00 0.00 C ATOM 111 OE1 GLN A 11 8.807 11.850 -1.538 1.00 0.00 O ATOM 112 NE2 GLN A 11 10.406 12.933 -0.492 1.00 0.00 N ATOM 0 H GLN A 11 5.966 13.085 1.890 1.00 0.00 H new ATOM 0 HA GLN A 11 6.758 11.194 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.114 12.922 1.449 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.199 11.608 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.107 11.128 1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.929 10.177 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.953 13.080 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.593 13.494 -1.323 1.00 0.00 H new ATOM 121 N LYS A 12 5.808 10.002 2.871 1.00 0.00 N ATOM 122 CA LYS A 12 5.486 8.775 3.594 1.00 0.00 C ATOM 123 C LYS A 12 4.315 8.056 2.932 1.00 0.00 C ATOM 124 O LYS A 12 4.328 6.836 2.769 1.00 0.00 O ATOM 125 CB LYS A 12 5.120 9.089 5.046 1.00 0.00 C ATOM 126 CG LYS A 12 5.127 7.796 5.865 1.00 0.00 C ATOM 127 CD LYS A 12 4.792 8.114 7.323 1.00 0.00 C ATOM 128 CE LYS A 12 6.085 8.349 8.106 1.00 0.00 C ATOM 129 NZ LYS A 12 6.683 7.037 8.483 1.00 0.00 N ATOM 0 H LYS A 12 5.505 10.860 3.331 1.00 0.00 H new ATOM 0 HA LYS A 12 6.366 8.132 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.830 9.802 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.136 9.556 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.401 7.092 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.104 7.318 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.157 8.998 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.231 7.291 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.789 8.922 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.879 8.937 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.525 7.196 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.987 6.479 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.956 6.520 7.623 1.00 0.00 H new ATOM 143 N LEU A 13 3.300 8.828 2.552 1.00 0.00 N ATOM 144 CA LEU A 13 2.121 8.256 1.907 1.00 0.00 C ATOM 145 C LEU A 13 2.503 7.590 0.587 1.00 0.00 C ATOM 146 O LEU A 13 2.099 6.463 0.303 1.00 0.00 O ATOM 147 CB LEU A 13 1.081 9.343 1.632 1.00 0.00 C ATOM 148 CG LEU A 13 0.236 9.570 2.887 1.00 0.00 C ATOM 149 CD1 LEU A 13 -0.460 10.929 2.795 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.817 8.467 2.998 1.00 0.00 C ATOM 0 H LEU A 13 3.269 9.840 2.677 1.00 0.00 H new ATOM 0 HA LEU A 13 1.699 7.511 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.576 10.270 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.443 9.048 0.799 1.00 0.00 H new ATOM 0 HG LEU A 13 0.880 9.550 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.062 11.091 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.289 11.717 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.104 10.949 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.420 8.628 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.460 8.488 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.323 7.498 3.063 1.00 0.00 H new ATOM 162 N ILE A 14 3.292 8.302 -0.214 1.00 0.00 N ATOM 163 CA ILE A 14 3.729 7.773 -1.503 1.00 0.00 C ATOM 164 C ILE A 14 4.626 6.555 -1.296 1.00 0.00 C ATOM 165 O ILE A 14 4.391 5.489 -1.866 1.00 0.00 O ATOM 166 CB ILE A 14 4.500 8.842 -2.286 1.00 0.00 C ATOM 167 CG1 ILE A 14 3.617 10.080 -2.458 1.00 0.00 C ATOM 168 CG2 ILE A 14 4.884 8.302 -3.668 1.00 0.00 C ATOM 169 CD1 ILE A 14 4.486 11.278 -2.842 1.00 0.00 C ATOM 0 H ILE A 14 3.639 9.236 0.003 1.00 0.00 H new ATOM 0 HA ILE A 14 2.845 7.481 -2.070 1.00 0.00 H new ATOM 0 HB ILE A 14 5.404 9.104 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.867 9.900 -3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.081 10.288 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.431 9.067 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.512 7.419 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.982 8.035 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.857 12.160 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.220 11.462 -2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.002 11.068 -3.779 1.00 0.00 H new ATOM 181 N SER A 15 5.661 6.728 -0.479 1.00 0.00 N ATOM 182 CA SER A 15 6.595 5.639 -0.204 1.00 0.00 C ATOM 183 C SER A 15 5.868 4.441 0.401 1.00 0.00 C ATOM 184 O SER A 15 6.259 3.291 0.198 1.00 0.00 O ATOM 185 CB SER A 15 7.685 6.102 0.764 1.00 0.00 C ATOM 186 OG SER A 15 7.125 6.259 2.061 1.00 0.00 O ATOM 0 H SER A 15 5.874 7.603 0.000 1.00 0.00 H new ATOM 0 HA SER A 15 7.048 5.343 -1.150 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.496 5.375 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.113 7.045 0.424 1.00 0.00 H new ATOM 0 HG SER A 15 6.205 6.586 1.983 1.00 0.00 H new ATOM 192 N GLU A 16 4.805 4.724 1.151 1.00 0.00 N ATOM 193 CA GLU A 16 4.027 3.662 1.783 1.00 0.00 C ATOM 194 C GLU A 16 3.196 2.919 0.742 1.00 0.00 C ATOM 195 O GLU A 16 3.017 1.703 0.822 1.00 0.00 O ATOM 196 CB GLU A 16 3.093 4.243 2.845 1.00 0.00 C ATOM 197 CG GLU A 16 3.831 4.329 4.183 1.00 0.00 C ATOM 198 CD GLU A 16 3.795 2.971 4.872 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.467 2.070 4.398 1.00 0.00 O ATOM 200 OE2 GLU A 16 3.096 2.851 5.866 1.00 0.00 O ATOM 0 H GLU A 16 4.466 5.668 1.334 1.00 0.00 H new ATOM 0 HA GLU A 16 4.724 2.968 2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.752 5.233 2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.206 3.617 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.863 4.639 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.367 5.083 4.818 1.00 0.00 H new ATOM 207 N GLU A 17 2.690 3.665 -0.237 1.00 0.00 N ATOM 208 CA GLU A 17 1.876 3.069 -1.292 1.00 0.00 C ATOM 209 C GLU A 17 2.747 2.251 -2.239 1.00 0.00 C ATOM 210 O GLU A 17 2.376 1.153 -2.655 1.00 0.00 O ATOM 211 CB GLU A 17 1.155 4.157 -2.092 1.00 0.00 C ATOM 212 CG GLU A 17 0.135 3.510 -3.030 1.00 0.00 C ATOM 213 CD GLU A 17 0.776 3.267 -4.392 1.00 0.00 C ATOM 214 OE1 GLU A 17 1.154 4.238 -5.028 1.00 0.00 O ATOM 215 OE2 GLU A 17 0.882 2.116 -4.777 1.00 0.00 O ATOM 0 H GLU A 17 2.827 4.672 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 17 1.140 2.417 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.654 4.849 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.876 4.738 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.216 2.568 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.737 4.156 -3.137 1.00 0.00 H new ATOM 222 N ASP A 18 3.911 2.800 -2.576 1.00 0.00 N ATOM 223 CA ASP A 18 4.833 2.113 -3.478 1.00 0.00 C ATOM 224 C ASP A 18 5.289 0.792 -2.868 1.00 0.00 C ATOM 225 O ASP A 18 5.376 -0.228 -3.552 1.00 0.00 O ATOM 226 CB ASP A 18 6.059 2.984 -3.755 1.00 0.00 C ATOM 227 CG ASP A 18 6.684 2.576 -5.085 1.00 0.00 C ATOM 228 OD1 ASP A 18 7.289 1.518 -5.132 1.00 0.00 O ATOM 229 OD2 ASP A 18 6.548 3.327 -6.035 1.00 0.00 O ATOM 0 H ASP A 18 4.236 3.708 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 18 4.308 1.919 -4.413 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.772 4.035 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.786 2.873 -2.950 1.00 0.00 H new ATOM 234 N LEU A 19 5.576 0.823 -1.570 1.00 0.00 N ATOM 235 CA LEU A 19 6.022 -0.379 -0.870 1.00 0.00 C ATOM 236 C LEU A 19 4.932 -1.445 -0.900 1.00 0.00 C ATOM 237 O LEU A 19 5.215 -2.643 -0.946 1.00 0.00 O ATOM 238 CB LEU A 19 6.364 -0.056 0.585 1.00 0.00 C ATOM 239 CG LEU A 19 7.186 -1.199 1.183 1.00 0.00 C ATOM 240 CD1 LEU A 19 8.675 -0.933 0.949 1.00 0.00 C ATOM 241 CD2 LEU A 19 6.915 -1.291 2.685 1.00 0.00 C ATOM 0 H LEU A 19 5.509 1.657 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 19 6.912 -0.753 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.926 0.877 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.450 0.088 1.161 1.00 0.00 H new ATOM 0 HG LEU A 19 6.905 -2.137 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.261 -1.747 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.869 -0.867 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.956 0.005 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.501 -2.106 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.196 -0.353 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.855 -1.480 2.852 1.00 0.00 H new ATOM 253 N LEU A 20 3.680 -0.996 -0.872 1.00 0.00 N ATOM 254 CA LEU A 20 2.549 -1.918 -0.897 1.00 0.00 C ATOM 255 C LEU A 20 2.457 -2.610 -2.254 1.00 0.00 C ATOM 256 O LEU A 20 2.078 -3.778 -2.348 1.00 0.00 O ATOM 257 CB LEU A 20 1.243 -1.169 -0.629 1.00 0.00 C ATOM 258 CG LEU A 20 0.975 -1.132 0.876 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.036 0.032 1.199 1.00 0.00 C ATOM 260 CD2 LEU A 20 0.321 -2.447 1.308 1.00 0.00 C ATOM 0 H LEU A 20 3.425 -0.009 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 20 2.705 -2.665 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.306 -0.155 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.417 -1.660 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 20 1.916 -0.999 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.155 0.058 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.499 0.969 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.905 -0.101 0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.129 -2.423 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.620 -2.578 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.988 -3.278 1.077 1.00 0.00 H new ATOM 272 N ARG A 21 2.809 -1.873 -3.304 1.00 0.00 N ATOM 273 CA ARG A 21 2.765 -2.423 -4.657 1.00 0.00 C ATOM 274 C ARG A 21 3.729 -3.596 -4.786 1.00 0.00 C ATOM 275 O ARG A 21 3.408 -4.621 -5.386 1.00 0.00 O ATOM 276 CB ARG A 21 3.142 -1.351 -5.683 1.00 0.00 C ATOM 277 CG ARG A 21 2.172 -0.174 -5.572 1.00 0.00 C ATOM 278 CD ARG A 21 2.073 0.536 -6.924 1.00 0.00 C ATOM 279 NE ARG A 21 3.195 1.459 -7.107 1.00 0.00 N ATOM 280 CZ ARG A 21 3.350 2.181 -8.227 1.00 0.00 C ATOM 281 NH1 ARG A 21 2.495 2.088 -9.219 1.00 0.00 N ATOM 282 NH2 ARG A 21 4.370 2.988 -8.333 1.00 0.00 N ATOM 0 H ARG A 21 3.124 -0.905 -3.247 1.00 0.00 H new ATOM 0 HA ARG A 21 1.748 -2.766 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.163 -1.011 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.110 -1.769 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.189 -0.528 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.515 0.523 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.067 -0.200 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.132 1.083 -6.985 1.00 0.00 H new ATOM 0 HE ARG A 21 3.881 1.556 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.696 1.458 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.630 2.645 -10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.041 3.066 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.497 3.541 -9.181 1.00 0.00 H new ATOM 296 N LYS A 22 4.921 -3.432 -4.217 1.00 0.00 N ATOM 297 CA LYS A 22 5.932 -4.483 -4.271 1.00 0.00 C ATOM 298 C LYS A 22 5.603 -5.593 -3.276 1.00 0.00 C ATOM 299 O LYS A 22 5.894 -6.765 -3.512 1.00 0.00 O ATOM 300 CB LYS A 22 7.314 -3.916 -3.945 1.00 0.00 C ATOM 301 CG LYS A 22 8.385 -4.724 -4.680 1.00 0.00 C ATOM 302 CD LYS A 22 9.772 -4.295 -4.193 1.00 0.00 C ATOM 303 CE LYS A 22 10.126 -2.934 -4.794 1.00 0.00 C ATOM 304 NZ LYS A 22 10.777 -3.130 -6.121 1.00 0.00 N ATOM 0 H LYS A 22 5.208 -2.590 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 22 5.937 -4.891 -5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.368 -2.868 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.489 -3.953 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.239 -5.789 -4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.301 -4.567 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.785 -4.238 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.516 -5.037 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.227 -2.328 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.795 -2.392 -4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.018 -2.204 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.644 -3.692 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.124 -3.630 -6.757 1.00 0.00 H new ATOM 318 N ARG A 23 4.991 -5.207 -2.159 1.00 0.00 N ATOM 319 CA ARG A 23 4.624 -6.178 -1.130 1.00 0.00 C ATOM 320 C ARG A 23 3.628 -7.191 -1.682 1.00 0.00 C ATOM 321 O ARG A 23 3.841 -8.401 -1.597 1.00 0.00 O ATOM 322 CB ARG A 23 3.999 -5.469 0.074 1.00 0.00 C ATOM 323 CG ARG A 23 4.221 -6.311 1.333 1.00 0.00 C ATOM 324 CD ARG A 23 3.018 -7.230 1.549 1.00 0.00 C ATOM 325 NE ARG A 23 3.097 -7.883 2.859 1.00 0.00 N ATOM 326 CZ ARG A 23 2.895 -7.214 4.003 1.00 0.00 C ATOM 327 NH1 ARG A 23 2.616 -5.932 4.000 1.00 0.00 N ATOM 328 NH2 ARG A 23 2.979 -7.849 5.140 1.00 0.00 N ATOM 0 H ARG A 23 4.741 -4.242 -1.944 1.00 0.00 H new ATOM 0 HA ARG A 23 5.531 -6.696 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.444 -4.482 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.932 -5.318 -0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.131 -6.903 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.357 -5.662 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.096 -6.653 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.983 -7.984 0.762 1.00 0.00 H new ATOM 0 HE ARG A 23 3.313 -8.879 2.901 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.549 -5.427 3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.466 -5.441 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.197 -8.845 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.827 -7.349 6.016 1.00 0.00 H new ATOM 342 N ARG A 24 2.537 -6.683 -2.249 1.00 0.00 N ATOM 343 CA ARG A 24 1.505 -7.554 -2.815 1.00 0.00 C ATOM 344 C ARG A 24 2.086 -8.424 -3.927 1.00 0.00 C ATOM 345 O ARG A 24 1.757 -9.605 -4.047 1.00 0.00 O ATOM 346 CB ARG A 24 0.348 -6.722 -3.378 1.00 0.00 C ATOM 347 CG ARG A 24 0.867 -5.756 -4.449 1.00 0.00 C ATOM 348 CD ARG A 24 -0.254 -4.804 -4.865 1.00 0.00 C ATOM 349 NE ARG A 24 -1.127 -5.435 -5.861 1.00 0.00 N ATOM 350 CZ ARG A 24 -0.729 -5.646 -7.124 1.00 0.00 C ATOM 351 NH1 ARG A 24 0.469 -5.293 -7.529 1.00 0.00 N ATOM 352 NH2 ARG A 24 -1.550 -6.211 -7.967 1.00 0.00 N ATOM 0 H ARG A 24 2.343 -5.685 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 24 1.133 -8.194 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.409 -7.380 -3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.133 -6.163 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.715 -5.190 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.224 -6.314 -5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.839 -4.518 -3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.173 -3.889 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.066 -5.722 -5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.117 -4.849 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.752 -5.463 -8.494 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.484 -6.487 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.258 -6.376 -8.930 1.00 0.00 H new ATOM 366 N GLU A 25 2.956 -7.827 -4.737 1.00 0.00 N ATOM 367 CA GLU A 25 3.580 -8.554 -5.838 1.00 0.00 C ATOM 368 C GLU A 25 4.420 -9.709 -5.303 1.00 0.00 C ATOM 369 O GLU A 25 4.498 -10.776 -5.913 1.00 0.00 O ATOM 370 CB GLU A 25 4.478 -7.623 -6.656 1.00 0.00 C ATOM 371 CG GLU A 25 3.647 -6.940 -7.745 1.00 0.00 C ATOM 372 CD GLU A 25 4.549 -6.575 -8.918 1.00 0.00 C ATOM 373 OE1 GLU A 25 5.093 -7.481 -9.528 1.00 0.00 O ATOM 374 OE2 GLU A 25 4.684 -5.392 -9.190 1.00 0.00 O ATOM 0 H GLU A 25 3.243 -6.852 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 25 2.787 -8.944 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.932 -6.874 -6.006 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.293 -8.190 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.849 -7.604 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.171 -6.044 -7.346 1.00 0.00 H new ATOM 381 N GLN A 26 5.049 -9.484 -4.154 1.00 0.00 N ATOM 382 CA GLN A 26 5.883 -10.512 -3.537 1.00 0.00 C ATOM 383 C GLN A 26 5.017 -11.643 -2.990 1.00 0.00 C ATOM 384 O GLN A 26 5.420 -12.806 -2.985 1.00 0.00 O ATOM 385 CB GLN A 26 6.709 -9.919 -2.394 1.00 0.00 C ATOM 386 CG GLN A 26 8.046 -10.655 -2.294 1.00 0.00 C ATOM 387 CD GLN A 26 9.057 -9.778 -1.562 1.00 0.00 C ATOM 388 OE1 GLN A 26 9.885 -9.117 -2.189 1.00 0.00 O ATOM 389 NE2 GLN A 26 9.038 -9.733 -0.258 1.00 0.00 N ATOM 0 H GLN A 26 4.999 -8.608 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 26 6.553 -10.904 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.879 -8.856 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.163 -10.005 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.915 -11.598 -1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.414 -10.899 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.352 -10.281 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.709 -9.150 0.242 1.00 0.00 H new ATOM 398 N LEU A 27 3.820 -11.287 -2.531 1.00 0.00 N ATOM 399 CA LEU A 27 2.899 -12.278 -1.982 1.00 0.00 C ATOM 400 C LEU A 27 2.516 -13.297 -3.051 1.00 0.00 C ATOM 401 O LEU A 27 2.476 -14.500 -2.796 1.00 0.00 O ATOM 402 CB LEU A 27 1.630 -11.601 -1.461 1.00 0.00 C ATOM 403 CG LEU A 27 1.977 -10.722 -0.259 1.00 0.00 C ATOM 404 CD1 LEU A 27 0.801 -9.795 0.054 1.00 0.00 C ATOM 405 CD2 LEU A 27 2.262 -11.609 0.955 1.00 0.00 C ATOM 0 H LEU A 27 3.468 -10.330 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 27 3.402 -12.785 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.178 -10.997 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.895 -12.353 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 27 2.859 -10.124 -0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.049 -9.169 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.596 -9.163 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.081 -10.392 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.510 -10.983 1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.380 -12.206 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.100 -12.270 0.734 1.00 0.00 H new ATOM 417 N LYS A 28 2.237 -12.800 -4.251 1.00 0.00 N ATOM 418 CA LYS A 28 1.858 -13.674 -5.358 1.00 0.00 C ATOM 419 C LYS A 28 3.022 -14.583 -5.739 1.00 0.00 C ATOM 420 O LYS A 28 2.828 -15.732 -6.136 1.00 0.00 O ATOM 421 CB LYS A 28 1.450 -12.848 -6.579 1.00 0.00 C ATOM 422 CG LYS A 28 -0.051 -12.560 -6.524 1.00 0.00 C ATOM 423 CD LYS A 28 -0.446 -11.674 -7.707 1.00 0.00 C ATOM 424 CE LYS A 28 -0.406 -12.496 -8.997 1.00 0.00 C ATOM 425 NZ LYS A 28 -1.481 -13.527 -8.963 1.00 0.00 N ATOM 0 H LYS A 28 2.265 -11.807 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 28 1.013 -14.281 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.010 -11.913 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.694 -13.388 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.612 -13.494 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.303 -12.065 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.446 -11.268 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.234 -10.826 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.540 -11.844 -9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.568 -12.974 -9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.754 -13.777 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.133 -14.375 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.308 -13.150 -8.458 1.00 0.00 H new ATOM 439 N HIS A 29 4.235 -14.053 -5.614 1.00 0.00 N ATOM 440 CA HIS A 29 5.431 -14.822 -5.947 1.00 0.00 C ATOM 441 C HIS A 29 5.659 -15.924 -4.915 1.00 0.00 C ATOM 442 O HIS A 29 6.161 -17.001 -5.236 1.00 0.00 O ATOM 443 CB HIS A 29 6.661 -13.914 -5.985 1.00 0.00 C ATOM 444 CG HIS A 29 6.485 -12.879 -7.062 1.00 0.00 C ATOM 445 ND1 HIS A 29 6.881 -11.566 -7.147 1.00 0.00 N flip ATOM 446 CD2 HIS A 29 5.822 -13.152 -8.248 1.00 0.00 C flip ATOM 447 CE1 HIS A 29 6.472 -11.033 -8.364 1.00 0.00 C flip ATOM 448 NE2 HIS A 29 5.839 -12.029 -8.989 1.00 0.00 N flip ATOM 0 H HIS A 29 4.416 -13.104 -5.288 1.00 0.00 H new ATOM 0 HA HIS A 29 5.280 -15.268 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.799 -13.429 -5.019 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.557 -14.505 -6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.374 -14.094 -8.527 1.00 0.00 H new ATOM 0 HE1 HIS A 29 6.632 -10.028 -8.726 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.420 -11.948 -9.915 1.00 0.00 H new ATOM 647 N LYS B 9 -4.273 15.409 -2.189 1.00 0.00 N ATOM 648 CA LYS B 9 -3.306 14.392 -2.595 1.00 0.00 C ATOM 649 C LYS B 9 -3.151 13.338 -1.503 1.00 0.00 C ATOM 650 O LYS B 9 -3.020 12.147 -1.785 1.00 0.00 O ATOM 651 CB LYS B 9 -1.942 15.030 -2.869 1.00 0.00 C ATOM 652 CG LYS B 9 -1.889 15.517 -4.318 1.00 0.00 C ATOM 653 CD LYS B 9 -0.456 15.398 -4.845 1.00 0.00 C ATOM 654 CE LYS B 9 -0.346 16.117 -6.190 1.00 0.00 C ATOM 655 NZ LYS B 9 0.651 15.417 -7.047 1.00 0.00 N ATOM 0 HA LYS B 9 -3.676 13.920 -3.505 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -1.775 15.864 -2.187 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -1.147 14.306 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -2.565 14.927 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -2.225 16.552 -4.377 1.00 0.00 H new ATOM 0 HD2 LYS B 9 0.243 15.832 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -0.185 14.348 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -1.317 16.136 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -0.046 17.154 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 0.726 15.906 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 1.578 15.421 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 0.346 14.435 -7.203 1.00 0.00 H new ATOM 669 N ASN B 10 -3.166 13.792 -0.253 1.00 0.00 N ATOM 670 CA ASN B 10 -3.027 12.880 0.879 1.00 0.00 C ATOM 671 C ASN B 10 -4.244 11.967 0.980 1.00 0.00 C ATOM 672 O ASN B 10 -4.140 10.810 1.391 1.00 0.00 O ATOM 673 CB ASN B 10 -2.881 13.663 2.186 1.00 0.00 C ATOM 674 CG ASN B 10 -1.432 14.110 2.353 1.00 0.00 C ATOM 675 OD1 ASN B 10 -0.518 13.492 1.810 1.00 0.00 O ATOM 676 ND2 ASN B 10 -1.168 15.161 3.080 1.00 0.00 N ATOM 0 H ASN B 10 -3.272 14.774 0.001 1.00 0.00 H new ATOM 0 HA ASN B 10 -2.133 12.278 0.717 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.541 14.530 2.178 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -3.180 13.042 3.030 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -0.203 15.470 3.198 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -1.926 15.673 3.530 1.00 0.00 H new ATOM 683 N ASP B 11 -5.402 12.500 0.601 1.00 0.00 N ATOM 684 CA ASP B 11 -6.639 11.727 0.651 1.00 0.00 C ATOM 685 C ASP B 11 -6.602 10.595 -0.370 1.00 0.00 C ATOM 686 O ASP B 11 -6.981 9.461 -0.077 1.00 0.00 O ATOM 687 CB ASP B 11 -7.845 12.623 0.359 1.00 0.00 C ATOM 688 CG ASP B 11 -9.127 11.892 0.739 1.00 0.00 C ATOM 689 OD1 ASP B 11 -9.162 11.316 1.814 1.00 0.00 O ATOM 690 OD2 ASP B 11 -10.056 11.917 -0.051 1.00 0.00 O ATOM 0 H ASP B 11 -5.510 13.455 0.259 1.00 0.00 H new ATOM 0 HA ASP B 11 -6.733 11.309 1.653 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -7.764 13.553 0.921 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -7.866 12.890 -0.698 1.00 0.00 H new ATOM 695 N THR B 12 -6.138 10.916 -1.574 1.00 0.00 N ATOM 696 CA THR B 12 -6.053 9.918 -2.638 1.00 0.00 C ATOM 697 C THR B 12 -5.082 8.807 -2.248 1.00 0.00 C ATOM 698 O THR B 12 -5.298 7.636 -2.560 1.00 0.00 O ATOM 699 CB THR B 12 -5.576 10.562 -3.943 1.00 0.00 C ATOM 700 OG1 THR B 12 -4.454 11.391 -3.676 1.00 0.00 O ATOM 701 CG2 THR B 12 -6.704 11.404 -4.540 1.00 0.00 C ATOM 0 H THR B 12 -5.818 11.848 -1.837 1.00 0.00 H new ATOM 0 HA THR B 12 -7.048 9.498 -2.785 1.00 0.00 H new ATOM 0 HB THR B 12 -5.293 9.783 -4.652 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.239 11.353 -2.721 1.00 0.00 H new ATOM 0 HG21 THR B 12 -6.364 11.862 -5.469 1.00 0.00 H new ATOM 0 HG22 THR B 12 -7.565 10.767 -4.744 1.00 0.00 H new ATOM 0 HG23 THR B 12 -6.989 12.184 -3.834 1.00 0.00 H new ATOM 709 N HIS B 13 -4.010 9.191 -1.563 1.00 0.00 N ATOM 710 CA HIS B 13 -3.006 8.222 -1.131 1.00 0.00 C ATOM 711 C HIS B 13 -3.612 7.236 -0.136 1.00 0.00 C ATOM 712 O HIS B 13 -3.234 6.066 -0.088 1.00 0.00 O ATOM 713 CB HIS B 13 -1.822 8.930 -0.470 1.00 0.00 C ATOM 714 CG HIS B 13 -0.942 9.536 -1.529 1.00 0.00 C ATOM 715 ND1 HIS B 13 -0.577 10.835 -1.786 1.00 0.00 N flip ATOM 716 CD2 HIS B 13 -0.311 8.768 -2.494 1.00 0.00 C flip ATOM 717 CE1 HIS B 13 0.267 10.874 -2.892 1.00 0.00 C flip ATOM 718 NE2 HIS B 13 0.394 9.603 -3.280 1.00 0.00 N flip ATOM 0 H HIS B 13 -3.814 10.156 -1.297 1.00 0.00 H new ATOM 0 HA HIS B 13 -2.659 7.685 -2.013 1.00 0.00 H new ATOM 0 HB2 HIS B 13 -2.181 9.706 0.207 1.00 0.00 H new ATOM 0 HB3 HIS B 13 -1.251 8.222 0.131 1.00 0.00 H new ATOM 0 HD1 HIS B 13 -0.879 11.647 -1.248 1.00 0.00 H new ATOM 0 HD2 HIS B 13 -0.373 7.695 -2.597 1.00 0.00 H new ATOM 0 HE1 HIS B 13 0.721 11.745 -3.340 1.00 0.00 H new ATOM 726 N GLN B 14 -4.557 7.726 0.661 1.00 0.00 N ATOM 727 CA GLN B 14 -5.213 6.884 1.658 1.00 0.00 C ATOM 728 C GLN B 14 -6.057 5.809 0.979 1.00 0.00 C ATOM 729 O GLN B 14 -6.052 4.648 1.387 1.00 0.00 O ATOM 730 CB GLN B 14 -6.117 7.727 2.561 1.00 0.00 C ATOM 731 CG GLN B 14 -6.341 6.996 3.886 1.00 0.00 C ATOM 732 CD GLN B 14 -7.684 7.411 4.475 1.00 0.00 C ATOM 733 OE1 GLN B 14 -8.103 8.559 4.335 1.00 0.00 O ATOM 734 NE2 GLN B 14 -8.392 6.534 5.133 1.00 0.00 N ATOM 0 H GLN B 14 -4.884 8.692 0.638 1.00 0.00 H new ATOM 0 HA GLN B 14 -4.436 6.411 2.259 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.661 8.700 2.743 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -7.072 7.910 2.068 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -6.319 5.918 3.727 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.537 7.232 4.584 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -8.045 5.582 5.249 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -9.293 6.801 5.531 1.00 0.00 H new ATOM 743 N GLN B 15 -6.783 6.208 -0.062 1.00 0.00 N ATOM 744 CA GLN B 15 -7.633 5.270 -0.792 1.00 0.00 C ATOM 745 C GLN B 15 -6.792 4.157 -1.408 1.00 0.00 C ATOM 746 O GLN B 15 -7.059 2.973 -1.203 1.00 0.00 O ATOM 747 CB GLN B 15 -8.397 5.993 -1.904 1.00 0.00 C ATOM 748 CG GLN B 15 -9.361 7.008 -1.285 1.00 0.00 C ATOM 749 CD GLN B 15 -10.297 7.541 -2.364 1.00 0.00 C ATOM 750 OE1 GLN B 15 -9.928 7.617 -3.534 1.00 0.00 O ATOM 751 NE2 GLN B 15 -11.503 7.918 -2.034 1.00 0.00 N ATOM 0 H GLN B 15 -6.801 7.164 -0.417 1.00 0.00 H new ATOM 0 HA GLN B 15 -8.343 4.840 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN B 15 -7.698 6.499 -2.570 1.00 0.00 H new ATOM 0 HB3 GLN B 15 -8.949 5.273 -2.508 1.00 0.00 H new ATOM 0 HG2 GLN B 15 -9.937 6.539 -0.487 1.00 0.00 H new ATOM 0 HG3 GLN B 15 -8.803 7.829 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN B 15 -11.809 7.855 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN B 15 -12.139 8.275 -2.747 1.00 0.00 H new ATOM 760 N ASP B 16 -5.773 4.550 -2.167 1.00 0.00 N ATOM 761 CA ASP B 16 -4.893 3.576 -2.811 1.00 0.00 C ATOM 762 C ASP B 16 -4.205 2.708 -1.762 1.00 0.00 C ATOM 763 O ASP B 16 -4.093 1.492 -1.917 1.00 0.00 O ATOM 764 CB ASP B 16 -3.828 4.286 -3.647 1.00 0.00 C ATOM 765 CG ASP B 16 -3.216 3.300 -4.637 1.00 0.00 C ATOM 766 OD1 ASP B 16 -3.959 2.498 -5.180 1.00 0.00 O ATOM 767 OD2 ASP B 16 -2.015 3.361 -4.840 1.00 0.00 O ATOM 0 H ASP B 16 -5.537 5.525 -2.351 1.00 0.00 H new ATOM 0 HA ASP B 16 -5.503 2.948 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -4.271 5.126 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -3.053 4.694 -2.998 1.00 0.00 H new ATOM 772 N ILE B 17 -3.748 3.350 -0.691 1.00 0.00 N ATOM 773 CA ILE B 17 -3.073 2.635 0.389 1.00 0.00 C ATOM 774 C ILE B 17 -4.021 1.614 1.019 1.00 0.00 C ATOM 775 O ILE B 17 -3.874 0.406 0.838 1.00 0.00 O ATOM 776 CB ILE B 17 -2.586 3.641 1.462 1.00 0.00 C ATOM 777 CG1 ILE B 17 -1.269 4.266 0.996 1.00 0.00 C ATOM 778 CG2 ILE B 17 -2.362 2.953 2.824 1.00 0.00 C ATOM 779 CD1 ILE B 17 -0.886 5.410 1.935 1.00 0.00 C ATOM 0 H ILE B 17 -3.831 4.356 -0.547 1.00 0.00 H new ATOM 0 HA ILE B 17 -2.212 2.107 -0.020 1.00 0.00 H new ATOM 0 HB ILE B 17 -3.354 4.404 1.589 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -0.481 3.513 0.983 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -1.371 4.637 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -2.021 3.689 3.552 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.298 2.511 3.166 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.609 2.172 2.718 1.00 0.00 H new ATOM 0 HD11 ILE B 17 0.052 5.855 1.603 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -1.670 6.167 1.925 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -0.766 5.025 2.948 1.00 0.00 H new ATOM 791 N ASP B 18 -4.975 2.127 1.793 1.00 0.00 N ATOM 792 CA ASP B 18 -5.936 1.281 2.498 1.00 0.00 C ATOM 793 C ASP B 18 -6.503 0.183 1.590 1.00 0.00 C ATOM 794 O ASP B 18 -6.856 -0.902 2.052 1.00 0.00 O ATOM 795 CB ASP B 18 -7.090 2.130 3.040 1.00 0.00 C ATOM 796 CG ASP B 18 -6.810 2.515 4.490 1.00 0.00 C ATOM 797 OD1 ASP B 18 -5.768 3.101 4.737 1.00 0.00 O ATOM 798 OD2 ASP B 18 -7.641 2.218 5.333 1.00 0.00 O ATOM 0 H ASP B 18 -5.103 3.127 1.948 1.00 0.00 H new ATOM 0 HA ASP B 18 -5.404 0.804 3.321 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -7.211 3.027 2.433 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -8.025 1.573 2.976 1.00 0.00 H new ATOM 803 N ASP B 19 -6.580 0.479 0.295 1.00 0.00 N ATOM 804 CA ASP B 19 -7.101 -0.491 -0.666 1.00 0.00 C ATOM 805 C ASP B 19 -6.079 -1.597 -0.904 1.00 0.00 C ATOM 806 O ASP B 19 -6.430 -2.770 -1.033 1.00 0.00 O ATOM 807 CB ASP B 19 -7.419 0.191 -1.999 1.00 0.00 C ATOM 808 CG ASP B 19 -8.154 -0.788 -2.907 1.00 0.00 C ATOM 809 OD1 ASP B 19 -9.360 -0.904 -2.768 1.00 0.00 O ATOM 810 OD2 ASP B 19 -7.499 -1.407 -3.730 1.00 0.00 O ATOM 0 H ASP B 19 -6.293 1.370 -0.110 1.00 0.00 H new ATOM 0 HA ASP B 19 -8.015 -0.919 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -8.031 1.077 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -6.499 0.526 -2.477 1.00 0.00 H new ATOM 815 N LEU B 20 -4.809 -1.209 -0.955 1.00 0.00 N ATOM 816 CA LEU B 20 -3.733 -2.172 -1.173 1.00 0.00 C ATOM 817 C LEU B 20 -3.588 -3.087 0.039 1.00 0.00 C ATOM 818 O LEU B 20 -3.333 -4.284 -0.096 1.00 0.00 O ATOM 819 CB LEU B 20 -2.407 -1.446 -1.410 1.00 0.00 C ATOM 820 CG LEU B 20 -2.415 -0.806 -2.799 1.00 0.00 C ATOM 821 CD1 LEU B 20 -1.315 0.254 -2.880 1.00 0.00 C ATOM 822 CD2 LEU B 20 -2.165 -1.882 -3.857 1.00 0.00 C ATOM 0 H LEU B 20 -4.500 -0.243 -0.849 1.00 0.00 H new ATOM 0 HA LEU B 20 -3.983 -2.767 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.257 -0.682 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -1.577 -2.147 -1.326 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.383 -0.338 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.321 0.710 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.493 1.021 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -0.346 -0.213 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -2.171 -1.427 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -1.197 -2.350 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.949 -2.637 -3.800 1.00 0.00 H new ATOM 834 N LYS B 21 -3.752 -2.508 1.225 1.00 0.00 N ATOM 835 CA LYS B 21 -3.636 -3.275 2.462 1.00 0.00 C ATOM 836 C LYS B 21 -4.784 -4.274 2.578 1.00 0.00 C ATOM 837 O LYS B 21 -4.604 -5.395 3.051 1.00 0.00 O ATOM 838 CB LYS B 21 -3.661 -2.344 3.675 1.00 0.00 C ATOM 839 CG LYS B 21 -2.261 -1.772 3.910 1.00 0.00 C ATOM 840 CD LYS B 21 -1.507 -2.659 4.904 1.00 0.00 C ATOM 841 CE LYS B 21 -0.196 -1.980 5.302 1.00 0.00 C ATOM 842 NZ LYS B 21 0.709 -2.980 5.935 1.00 0.00 N ATOM 0 H LYS B 21 -3.964 -1.519 1.356 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.687 -3.811 2.437 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.373 -1.535 3.511 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -3.995 -2.889 4.558 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -1.716 -1.719 2.968 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.332 -0.755 4.295 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -2.120 -2.836 5.788 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -1.304 -3.632 4.457 1.00 0.00 H new ATOM 0 HE2 LYS B 21 0.282 -1.545 4.424 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.393 -1.162 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.601 -2.519 6.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 0.252 -3.375 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 0.907 -3.746 5.260 1.00 0.00 H new ATOM 856 N ARG B 22 -5.967 -3.850 2.142 1.00 0.00 N ATOM 857 CA ARG B 22 -7.143 -4.714 2.202 1.00 0.00 C ATOM 858 C ARG B 22 -6.932 -5.964 1.354 1.00 0.00 C ATOM 859 O ARG B 22 -7.383 -7.055 1.706 1.00 0.00 O ATOM 860 CB ARG B 22 -8.381 -3.971 1.691 1.00 0.00 C ATOM 861 CG ARG B 22 -8.980 -3.137 2.825 1.00 0.00 C ATOM 862 CD ARG B 22 -10.502 -3.089 2.676 1.00 0.00 C ATOM 863 NE ARG B 22 -11.084 -2.123 3.612 1.00 0.00 N ATOM 864 CZ ARG B 22 -11.158 -2.363 4.928 1.00 0.00 C ATOM 865 NH1 ARG B 22 -10.707 -3.483 5.443 1.00 0.00 N ATOM 866 NH2 ARG B 22 -11.689 -1.465 5.713 1.00 0.00 N ATOM 0 H ARG B 22 -6.137 -2.925 1.748 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.294 -5.001 3.242 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.112 -3.326 0.854 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.118 -4.683 1.320 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -8.712 -3.569 3.789 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -8.570 -2.127 2.803 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -10.764 -2.816 1.654 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -10.922 -4.078 2.859 1.00 0.00 H new ATOM 0 HE ARG B 22 -11.444 -1.240 3.250 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.290 -4.191 4.838 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -10.773 -3.645 6.448 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -12.042 -0.591 5.323 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -11.751 -1.637 6.716 1.00 0.00 H new ATOM 880 N GLN B 23 -6.239 -5.793 0.231 1.00 0.00 N ATOM 881 CA GLN B 23 -5.972 -6.915 -0.665 1.00 0.00 C ATOM 882 C GLN B 23 -4.902 -7.828 -0.073 1.00 0.00 C ATOM 883 O GLN B 23 -5.072 -9.046 -0.004 1.00 0.00 O ATOM 884 CB GLN B 23 -5.495 -6.409 -2.028 1.00 0.00 C ATOM 885 CG GLN B 23 -6.701 -6.216 -2.951 1.00 0.00 C ATOM 886 CD GLN B 23 -6.303 -6.553 -4.385 1.00 0.00 C ATOM 887 OE1 GLN B 23 -6.400 -5.710 -5.278 1.00 0.00 O ATOM 888 NE2 GLN B 23 -5.857 -7.746 -4.663 1.00 0.00 N ATOM 0 H GLN B 23 -5.856 -4.899 -0.078 1.00 0.00 H new ATOM 0 HA GLN B 23 -6.899 -7.474 -0.789 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.959 -5.467 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.797 -7.121 -2.468 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -7.524 -6.855 -2.631 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -7.056 -5.187 -2.893 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -5.776 -8.445 -3.925 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -5.589 -7.980 -5.619 1.00 0.00 H new ATOM 897 N ASN B 24 -3.796 -7.224 0.355 1.00 0.00 N ATOM 898 CA ASN B 24 -2.697 -7.991 0.940 1.00 0.00 C ATOM 899 C ASN B 24 -3.162 -8.720 2.196 1.00 0.00 C ATOM 900 O ASN B 24 -2.687 -9.811 2.510 1.00 0.00 O ATOM 901 CB ASN B 24 -1.533 -7.067 1.303 1.00 0.00 C ATOM 902 CG ASN B 24 -0.718 -6.758 0.052 1.00 0.00 C ATOM 903 OD1 ASN B 24 -0.715 -7.535 -0.903 1.00 0.00 O ATOM 904 ND2 ASN B 24 -0.019 -5.658 -0.001 1.00 0.00 N ATOM 0 H ASN B 24 -3.637 -6.218 0.309 1.00 0.00 H new ATOM 0 HA ASN B 24 -2.366 -8.719 0.200 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -1.911 -6.143 1.741 1.00 0.00 H new ATOM 0 HB3 ASN B 24 -0.900 -7.540 2.054 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.530 -5.442 -0.833 1.00 0.00 H new ATOM 0 HD22 ASN B 24 -0.021 -5.014 0.790 1.00 0.00 H new ATOM 911 N ALA B 25 -4.099 -8.103 2.912 1.00 0.00 N ATOM 912 CA ALA B 25 -4.625 -8.702 4.136 1.00 0.00 C ATOM 913 C ALA B 25 -5.431 -9.955 3.813 1.00 0.00 C ATOM 914 O ALA B 25 -5.433 -10.924 4.574 1.00 0.00 O ATOM 915 CB ALA B 25 -5.522 -7.709 4.876 1.00 0.00 C ATOM 0 H ALA B 25 -4.506 -7.199 2.670 1.00 0.00 H new ATOM 0 HA ALA B 25 -3.779 -8.968 4.770 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -5.905 -8.172 5.785 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -4.945 -6.821 5.136 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -6.356 -7.424 4.235 1.00 0.00 H new ATOM 921 N LEU B 26 -6.119 -9.925 2.676 1.00 0.00 N ATOM 922 CA LEU B 26 -6.931 -11.065 2.256 1.00 0.00 C ATOM 923 C LEU B 26 -6.052 -12.136 1.616 1.00 0.00 C ATOM 924 O LEU B 26 -6.255 -13.332 1.825 1.00 0.00 O ATOM 925 CB LEU B 26 -8.000 -10.622 1.246 1.00 0.00 C ATOM 926 CG LEU B 26 -9.296 -11.424 1.443 1.00 0.00 C ATOM 927 CD1 LEU B 26 -9.020 -12.921 1.275 1.00 0.00 C ATOM 928 CD2 LEU B 26 -9.859 -11.161 2.844 1.00 0.00 C ATOM 0 H LEU B 26 -6.132 -9.133 2.034 1.00 0.00 H new ATOM 0 HA LEU B 26 -7.419 -11.476 3.140 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -8.203 -9.558 1.366 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -7.629 -10.763 0.231 1.00 0.00 H new ATOM 0 HG LEU B 26 -10.023 -11.109 0.694 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -9.945 -13.480 1.417 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -8.632 -13.109 0.274 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -8.286 -13.241 2.015 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -10.778 -11.731 2.980 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -9.128 -11.466 3.593 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -10.072 -10.098 2.957 1.00 0.00 H new ATOM 940 N LEU B 27 -5.075 -11.692 0.834 1.00 0.00 N ATOM 941 CA LEU B 27 -4.167 -12.620 0.163 1.00 0.00 C ATOM 942 C LEU B 27 -3.354 -13.402 1.190 1.00 0.00 C ATOM 943 O LEU B 27 -3.299 -14.632 1.152 1.00 0.00 O ATOM 944 CB LEU B 27 -3.209 -11.862 -0.757 1.00 0.00 C ATOM 945 CG LEU B 27 -4.011 -11.106 -1.817 1.00 0.00 C ATOM 946 CD1 LEU B 27 -3.229 -9.870 -2.265 1.00 0.00 C ATOM 947 CD2 LEU B 27 -4.251 -12.020 -3.022 1.00 0.00 C ATOM 0 H LEU B 27 -4.891 -10.706 0.649 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.768 -13.310 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -2.606 -11.164 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -2.520 -12.558 -1.235 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.968 -10.798 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -3.801 -9.332 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.056 -9.219 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -2.272 -10.178 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -4.823 -11.482 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -3.293 -12.328 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.808 -12.902 -2.705 1.00 0.00 H new ATOM 959 N GLU B 28 -2.724 -12.674 2.108 1.00 0.00 N ATOM 960 CA GLU B 28 -1.910 -13.303 3.149 1.00 0.00 C ATOM 961 C GLU B 28 -2.744 -14.289 3.965 1.00 0.00 C ATOM 962 O GLU B 28 -2.308 -15.405 4.251 1.00 0.00 O ATOM 963 CB GLU B 28 -1.335 -12.238 4.086 1.00 0.00 C ATOM 964 CG GLU B 28 -0.350 -12.886 5.063 1.00 0.00 C ATOM 965 CD GLU B 28 1.070 -12.747 4.523 1.00 0.00 C ATOM 966 OE1 GLU B 28 1.257 -12.967 3.338 1.00 0.00 O ATOM 967 OE2 GLU B 28 1.951 -12.422 5.303 1.00 0.00 O ATOM 0 H GLU B 28 -2.759 -11.656 2.154 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.097 -13.841 2.662 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.831 -11.464 3.507 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.140 -11.751 4.636 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.426 -12.411 6.041 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.597 -13.939 5.200 1.00 0.00 H new ATOM 974 N GLN B 29 -3.949 -13.863 4.338 1.00 0.00 N ATOM 975 CA GLN B 29 -4.847 -14.710 5.125 1.00 0.00 C ATOM 976 C GLN B 29 -5.091 -16.044 4.420 1.00 0.00 C ATOM 977 O GLN B 29 -5.289 -17.075 5.062 1.00 0.00 O ATOM 978 CB GLN B 29 -6.189 -14.010 5.342 1.00 0.00 C ATOM 979 CG GLN B 29 -6.833 -14.527 6.629 1.00 0.00 C ATOM 980 CD GLN B 29 -7.834 -13.501 7.147 1.00 0.00 C ATOM 981 OE1 GLN B 29 -8.519 -12.843 6.364 1.00 0.00 O ATOM 982 NE2 GLN B 29 -7.962 -13.322 8.433 1.00 0.00 N ATOM 0 H GLN B 29 -4.326 -12.943 4.111 1.00 0.00 H new ATOM 0 HA GLN B 29 -4.371 -14.894 6.088 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -6.043 -12.932 5.404 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -6.848 -14.194 4.494 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -7.334 -15.476 6.441 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -6.067 -14.715 7.381 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -7.395 -13.867 9.083 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -8.629 -12.637 8.789 1.00 0.00 H new ATOM 991 N GLN B 30 -5.068 -16.011 3.092 1.00 0.00 N ATOM 992 CA GLN B 30 -5.281 -17.225 2.306 1.00 0.00 C ATOM 993 C GLN B 30 -3.958 -17.953 2.092 1.00 0.00 C ATOM 994 O GLN B 30 -3.909 -19.181 2.040 1.00 0.00 O ATOM 995 CB GLN B 30 -5.890 -16.883 0.943 1.00 0.00 C ATOM 996 CG GLN B 30 -6.783 -18.036 0.480 1.00 0.00 C ATOM 997 CD GLN B 30 -7.806 -17.513 -0.524 1.00 0.00 C ATOM 998 OE1 GLN B 30 -8.261 -16.374 -0.422 1.00 0.00 O ATOM 999 NE2 GLN B 30 -8.200 -18.289 -1.497 1.00 0.00 N ATOM 0 H GLN B 30 -4.906 -15.168 2.541 1.00 0.00 H new ATOM 0 HA GLN B 30 -5.968 -17.868 2.856 1.00 0.00 H new ATOM 0 HB2 GLN B 30 -6.472 -15.964 1.013 1.00 0.00 H new ATOM 0 HB3 GLN B 30 -5.100 -16.705 0.214 1.00 0.00 H new ATOM 0 HG2 GLN B 30 -6.177 -18.819 0.024 1.00 0.00 H new ATOM 0 HG3 GLN B 30 -7.291 -18.483 1.335 1.00 0.00 H new ATOM 0 HE21 GLN B 30 -7.823 -19.233 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN B 30 -8.885 -17.951 -2.173 1.00 0.00 H new ATOM 1008 N VAL B 31 -2.885 -17.176 1.974 1.00 0.00 N ATOM 1009 CA VAL B 31 -1.557 -17.749 1.769 1.00 0.00 C ATOM 1010 C VAL B 31 -1.089 -18.461 3.037 1.00 0.00 C ATOM 1011 O VAL B 31 -0.374 -19.461 2.976 1.00 0.00 O ATOM 1012 CB VAL B 31 -0.554 -16.645 1.403 1.00 0.00 C ATOM 1013 CG1 VAL B 31 0.816 -17.261 1.103 1.00 0.00 C ATOM 1014 CG2 VAL B 31 -1.056 -15.885 0.166 1.00 0.00 C ATOM 0 H VAL B 31 -2.907 -16.157 2.016 1.00 0.00 H new ATOM 0 HA VAL B 31 -1.613 -18.469 0.952 1.00 0.00 H new ATOM 0 HB VAL B 31 -0.460 -15.956 2.242 1.00 0.00 H new ATOM 0 HG11 VAL B 31 1.521 -16.471 0.844 1.00 0.00 H new ATOM 0 HG12 VAL B 31 1.175 -17.795 1.983 1.00 0.00 H new ATOM 0 HG13 VAL B 31 0.727 -17.956 0.268 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -0.344 -15.102 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -1.155 -16.577 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -2.026 -15.437 0.383 1.00 0.00 H new ATOM 1024 N ARG B 32 -1.502 -17.934 4.186 1.00 0.00 N ATOM 1025 CA ARG B 32 -1.121 -18.527 5.465 1.00 0.00 C ATOM 1026 C ARG B 32 -1.732 -19.918 5.609 1.00 0.00 C ATOM 1027 O ARG B 32 -1.083 -20.850 6.086 1.00 0.00 O ATOM 1028 CB ARG B 32 -1.594 -17.646 6.628 1.00 0.00 C ATOM 1029 CG ARG B 32 -0.546 -17.656 7.743 1.00 0.00 C ATOM 1030 CD ARG B 32 -0.740 -18.895 8.620 1.00 0.00 C ATOM 1031 NE ARG B 32 0.550 -19.391 9.103 1.00 0.00 N ATOM 1032 CZ ARG B 32 0.641 -20.340 10.047 1.00 0.00 C ATOM 1033 NH1 ARG B 32 -0.432 -20.873 10.582 1.00 0.00 N ATOM 1034 NH2 ARG B 32 1.818 -20.744 10.438 1.00 0.00 N ATOM 0 H ARG B 32 -2.094 -17.107 4.259 1.00 0.00 H new ATOM 0 HA ARG B 32 -0.034 -18.604 5.491 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -1.759 -16.626 6.280 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -2.548 -18.011 7.009 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.456 -17.655 7.314 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.635 -16.753 8.347 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -1.382 -18.651 9.466 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -1.246 -19.675 8.051 1.00 0.00 H new ATOM 0 HE ARG B 32 1.407 -19.003 8.709 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -1.357 -20.567 10.281 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -0.341 -21.593 11.298 1.00 0.00 H new ATOM 0 HH21 ARG B 32 2.659 -20.339 10.027 1.00 0.00 H new ATOM 0 HH22 ARG B 32 1.897 -21.465 11.155 1.00 0.00 H new ATOM 1048 N ALA B 33 -2.987 -20.045 5.192 1.00 0.00 N ATOM 1049 CA ALA B 33 -3.683 -21.326 5.278 1.00 0.00 C ATOM 1050 C ALA B 33 -3.145 -22.296 4.230 1.00 0.00 C ATOM 1051 O ALA B 33 -2.792 -23.433 4.539 1.00 0.00 O ATOM 1052 CB ALA B 33 -5.184 -21.137 5.058 1.00 0.00 C ATOM 0 H ALA B 33 -3.540 -19.285 4.795 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.512 -21.735 6.274 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.686 -22.102 5.126 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.582 -20.467 5.820 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -5.356 -20.707 4.071 1.00 0.00 H new ATOM 1058 N LEU B 34 -3.088 -21.831 2.986 1.00 0.00 N ATOM 1059 CA LEU B 34 -2.591 -22.664 1.894 1.00 0.00 C ATOM 1060 C LEU B 34 -1.135 -23.048 2.136 1.00 0.00 C ATOM 1061 O LEU B 34 -0.224 -22.253 1.905 1.00 0.00 O ATOM 1062 CB LEU B 34 -2.696 -21.919 0.562 1.00 0.00 C ATOM 1063 CG LEU B 34 -4.047 -22.221 -0.088 1.00 0.00 C ATOM 1064 CD1 LEU B 34 -5.089 -21.219 0.412 1.00 0.00 C ATOM 1065 CD2 LEU B 34 -3.920 -22.103 -1.609 1.00 0.00 C ATOM 0 H LEU B 34 -3.376 -20.892 2.710 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.202 -23.566 1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.590 -20.846 0.724 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.886 -22.222 -0.101 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.357 -23.232 0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.052 -21.434 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -5.181 -21.300 1.495 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.777 -20.208 0.149 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.883 -22.318 -2.072 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.609 -21.092 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.177 -22.815 -1.968 1.00 0.00 H new