USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.71) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.91 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00797 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0702) USER MOD Single : A 31 GLN : amide:sc= -0.0046 K(o=-0.0046,f=-0.55) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0.649 K(o=0.65,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0891 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -39:sc= 0.202 USER MOD Single : A 60 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 89:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.850 -7.148 -4.272 1.00 9.67 N ATOM 2 CA MET A 1 11.638 -6.868 -2.861 1.00 10.38 C ATOM 3 C MET A 1 10.303 -7.376 -2.429 1.00 9.62 C ATOM 4 O MET A 1 9.269 -6.918 -2.936 1.00 9.62 O ATOM 5 CB MET A 1 11.779 -5.365 -2.631 1.00 13.77 C ATOM 6 CG MET A 1 12.031 -4.890 -1.148 1.00 16.29 C ATOM 7 SD MET A 1 12.138 -3.067 -1.146 1.00 17.17 S ATOM 8 CE MET A 1 10.420 -2.783 -0.829 1.00 16.11 C ATOM 0 H1 MET A 1 12.864 -7.077 -4.491 1.00 9.67 H new ATOM 0 H2 MET A 1 11.515 -8.108 -4.490 1.00 9.67 H new ATOM 0 H3 MET A 1 11.323 -6.459 -4.846 1.00 9.67 H new ATOM 0 HA MET A 1 12.386 -7.382 -2.257 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.602 -5.003 -3.247 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.872 -4.880 -2.993 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.222 -5.224 -0.499 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.952 -5.326 -0.760 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.146 -1.787 -1.175 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.825 -3.527 -1.358 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.230 -2.860 0.242 1.00 16.11 H new ATOM 20 N GLN A 2 10.259 -8.252 -1.476 1.00 9.27 N ATOM 21 CA GLN A 2 9.042 -8.651 -0.784 1.00 9.07 C ATOM 22 C GLN A 2 8.466 -7.705 0.246 1.00 8.72 C ATOM 23 O GLN A 2 9.154 -7.122 1.078 1.00 8.22 O ATOM 24 CB GLN A 2 9.274 -10.058 -0.148 1.00 14.46 C ATOM 25 CG GLN A 2 8.139 -10.552 0.776 1.00 17.01 C ATOM 26 CD GLN A 2 8.406 -11.951 1.267 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.379 -12.688 1.030 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.432 -12.482 1.953 1.00 19.49 N ATOM 0 H GLN A 2 11.090 -8.735 -1.135 1.00 9.27 H new ATOM 0 HA GLN A 2 8.277 -8.649 -1.561 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.412 -10.784 -0.949 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.202 -10.033 0.423 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.040 -9.878 1.627 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.192 -10.527 0.238 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.606 -11.928 2.179 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.496 -13.452 2.263 1.00 19.49 H new ATOM 37 N ILE A 3 7.179 -7.444 0.048 1.00 5.87 N ATOM 38 CA ILE A 3 6.423 -6.694 0.970 1.00 5.07 C ATOM 39 C ILE A 3 5.138 -7.413 1.293 1.00 4.01 C ATOM 40 O ILE A 3 4.632 -8.233 0.553 1.00 4.61 O ATOM 41 CB ILE A 3 6.007 -5.274 0.566 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.503 -5.250 -0.873 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.248 -4.355 0.820 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.750 -4.053 -1.334 1.00 10.83 C ATOM 0 H ILE A 3 6.654 -7.760 -0.768 1.00 5.87 H new ATOM 0 HA ILE A 3 7.118 -6.595 1.804 1.00 5.07 H new ATOM 0 HB ILE A 3 5.169 -4.905 1.158 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.364 -5.375 -1.530 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.864 -6.121 -1.016 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.003 -3.329 0.547 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.520 -4.395 1.875 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.087 -4.701 0.216 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.459 -4.185 -2.376 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.857 -3.927 -0.722 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.381 -3.169 -1.243 1.00 10.83 H new ATOM 56 N PHE A 4 4.582 -7.076 2.483 1.00 4.55 N ATOM 57 CA PHE A 4 3.330 -7.603 2.919 1.00 4.68 C ATOM 58 C PHE A 4 2.232 -6.570 3.050 1.00 5.30 C ATOM 59 O PHE A 4 2.385 -5.457 3.550 1.00 5.58 O ATOM 60 CB PHE A 4 3.348 -8.303 4.326 1.00 4.83 C ATOM 61 CG PHE A 4 4.224 -9.497 4.416 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.771 -10.737 4.005 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.605 -9.472 4.865 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.550 -11.882 4.031 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.381 -10.690 4.992 1.00 10.61 C ATOM 66 CZ PHE A 4 5.838 -11.857 4.500 1.00 8.90 C ATOM 0 H PHE A 4 5.013 -6.430 3.144 1.00 4.55 H new ATOM 0 HA PHE A 4 3.137 -8.319 2.120 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.669 -7.577 5.073 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.330 -8.596 4.583 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.756 -10.817 3.645 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.064 -8.525 5.110 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.134 -12.813 3.675 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.355 -10.683 5.458 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.432 -12.759 4.484 1.00 8.90 H new ATOM 76 N VAL A 5 0.964 -6.961 2.725 1.00 4.44 N ATOM 77 CA VAL A 5 -0.182 -6.011 2.892 1.00 3.87 C ATOM 78 C VAL A 5 -1.180 -6.657 3.797 1.00 4.93 C ATOM 79 O VAL A 5 -1.715 -7.731 3.480 1.00 6.84 O ATOM 80 CB VAL A 5 -0.687 -5.495 1.596 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.775 -4.457 1.893 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.515 -4.827 0.849 1.00 9.13 C ATOM 0 H VAL A 5 0.715 -7.881 2.363 1.00 4.44 H new ATOM 0 HA VAL A 5 0.131 -5.088 3.379 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.105 -6.289 0.977 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.165 -4.060 0.956 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.584 -4.927 2.452 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.351 -3.644 2.483 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.176 -4.437 -0.110 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.911 -4.011 1.453 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.297 -5.568 0.683 1.00 9.13 H new ATOM 92 N LYS A 6 -1.394 -6.087 4.955 1.00 6.04 N ATOM 93 CA LYS A 6 -2.292 -6.552 6.004 1.00 6.12 C ATOM 94 C LYS A 6 -3.674 -5.969 5.953 1.00 6.57 C ATOM 95 O LYS A 6 -3.967 -4.785 6.198 1.00 5.76 O ATOM 96 CB LYS A 6 -1.563 -6.281 7.316 1.00 7.45 C ATOM 97 CG LYS A 6 -2.192 -7.023 8.529 1.00 11.12 C ATOM 98 CD LYS A 6 -1.524 -6.760 9.854 1.00 14.54 C ATOM 99 CE LYS A 6 -2.169 -7.508 11.059 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.305 -7.407 12.236 1.00 20.55 N ATOM 0 H LYS A 6 -0.916 -5.225 5.217 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.500 -7.614 5.876 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.521 -6.583 7.214 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.567 -5.209 7.512 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.241 -6.738 8.605 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.166 -8.095 8.333 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.475 -7.048 9.782 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.547 -5.688 10.053 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -3.148 -7.082 11.279 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.328 -8.556 10.804 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.745 -7.909 13.034 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.380 -7.834 12.026 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.175 -6.406 12.486 1.00 20.55 H new ATOM 114 N THR A 7 -4.695 -6.746 5.552 1.00 7.41 N ATOM 115 CA THR A 7 -6.011 -6.180 5.442 1.00 7.48 C ATOM 116 C THR A 7 -6.783 -6.005 6.726 1.00 8.75 C ATOM 117 O THR A 7 -6.494 -6.565 7.781 1.00 8.58 O ATOM 118 CB THR A 7 -6.917 -6.870 4.404 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.649 -7.982 4.845 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.127 -7.091 3.188 1.00 9.17 C ATOM 0 H THR A 7 -4.621 -7.734 5.310 1.00 7.41 H new ATOM 0 HA THR A 7 -5.758 -5.179 5.092 1.00 7.48 H new ATOM 0 HB THR A 7 -7.743 -6.193 4.187 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.186 -8.334 4.105 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.746 -7.579 2.436 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.776 -6.134 2.803 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.271 -7.725 3.420 1.00 9.17 H new ATOM 128 N LEU A 8 -7.845 -5.140 6.786 1.00 9.84 N ATOM 129 CA LEU A 8 -8.625 -4.870 7.986 1.00 14.15 C ATOM 130 C LEU A 8 -9.403 -6.090 8.491 1.00 17.37 C ATOM 131 O LEU A 8 -9.822 -6.234 9.628 1.00 17.01 O ATOM 132 CB LEU A 8 -9.667 -3.708 7.783 1.00 16.63 C ATOM 133 CG LEU A 8 -9.039 -2.311 7.358 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.064 -1.462 6.608 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.507 -1.607 8.612 1.00 18.59 C ATOM 0 H LEU A 8 -8.168 -4.614 5.974 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.875 -4.583 8.723 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.386 -4.013 7.022 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.223 -3.572 8.711 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.208 -2.468 6.671 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.613 -0.511 6.327 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.387 -1.990 5.711 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.925 -1.279 7.251 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.073 -0.647 8.334 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.325 -1.446 9.314 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.744 -2.228 9.081 1.00 18.59 H new ATOM 147 N THR A 9 -9.662 -7.066 7.577 1.00 18.33 N ATOM 148 CA THR A 9 -10.244 -8.310 7.903 1.00 19.24 C ATOM 149 C THR A 9 -9.207 -9.436 7.916 1.00 19.48 C ATOM 150 O THR A 9 -9.516 -10.646 7.911 1.00 23.14 O ATOM 151 CB THR A 9 -11.383 -8.647 6.920 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.064 -8.301 5.540 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.676 -7.941 7.214 1.00 19.70 C ATOM 0 H THR A 9 -9.451 -6.965 6.584 1.00 18.33 H new ATOM 0 HA THR A 9 -10.655 -8.225 8.909 1.00 19.24 H new ATOM 0 HB THR A 9 -11.496 -9.723 7.052 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.818 -8.537 4.961 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.425 -8.232 6.478 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.022 -8.215 8.211 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.521 -6.863 7.167 1.00 19.70 H new ATOM 161 N GLY A 10 -7.946 -9.028 8.128 1.00 19.43 N ATOM 162 CA GLY A 10 -6.910 -9.951 8.661 1.00 18.74 C ATOM 163 C GLY A 10 -6.106 -10.752 7.677 1.00 17.62 C ATOM 164 O GLY A 10 -5.136 -11.447 8.064 1.00 19.74 O ATOM 0 H GLY A 10 -7.614 -8.081 7.944 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.215 -9.363 9.260 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.402 -10.650 9.338 1.00 18.74 H new ATOM 168 N LYS A 11 -6.476 -10.736 6.398 1.00 13.56 N ATOM 169 CA LYS A 11 -5.675 -11.422 5.443 1.00 11.91 C ATOM 170 C LYS A 11 -4.278 -10.703 5.240 1.00 10.18 C ATOM 171 O LYS A 11 -4.156 -9.509 5.152 1.00 9.10 O ATOM 172 CB LYS A 11 -6.492 -11.366 4.149 1.00 13.43 C ATOM 173 CG LYS A 11 -5.889 -12.264 3.084 1.00 16.69 C ATOM 174 CD LYS A 11 -6.453 -11.977 1.693 1.00 17.92 C ATOM 175 CE LYS A 11 -6.391 -13.150 0.687 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.168 -12.902 -0.486 1.00 21.93 N ATOM 0 H LYS A 11 -7.302 -10.266 6.028 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.450 -12.441 5.759 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.518 -11.673 4.350 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.532 -10.340 3.784 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.807 -12.130 3.069 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.078 -13.306 3.342 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.493 -11.669 1.800 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.912 -11.131 1.270 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.354 -13.326 0.402 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.748 -14.059 1.171 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.095 -13.716 -1.129 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.163 -12.760 -0.220 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.812 -12.050 -0.964 1.00 21.93 H new ATOM 190 N THR A 12 -3.163 -11.480 5.124 1.00 9.63 N ATOM 191 CA THR A 12 -1.882 -10.850 4.827 1.00 9.85 C ATOM 192 C THR A 12 -1.417 -11.371 3.479 1.00 11.66 C ATOM 193 O THR A 12 -0.904 -12.490 3.284 1.00 12.33 O ATOM 194 CB THR A 12 -0.847 -11.145 5.817 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.302 -10.662 7.085 1.00 10.91 O ATOM 196 CG2 THR A 12 0.465 -10.337 5.584 1.00 9.63 C ATOM 0 H THR A 12 -3.140 -12.494 5.229 1.00 9.63 H new ATOM 0 HA THR A 12 -2.032 -9.770 4.835 1.00 9.85 H new ATOM 0 HB THR A 12 -0.661 -12.217 5.757 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.625 -10.849 7.768 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.195 -10.599 6.350 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.870 -10.576 4.601 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.250 -9.270 5.638 1.00 9.63 H new ATOM 204 N ILE A 13 -1.608 -10.543 2.429 1.00 10.42 N ATOM 205 CA ILE A 13 -1.112 -10.863 1.106 1.00 11.84 C ATOM 206 C ILE A 13 0.342 -10.399 1.050 1.00 10.55 C ATOM 207 O ILE A 13 0.860 -9.639 1.883 1.00 11.92 O ATOM 208 CB ILE A 13 -1.874 -10.151 -0.025 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.152 -8.620 0.184 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.207 -10.922 -0.208 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.705 -7.958 -1.075 1.00 16.46 C ATOM 0 H ILE A 13 -2.103 -9.653 2.489 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.236 -11.935 0.953 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.236 -10.169 -0.909 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.860 -8.489 1.002 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.229 -8.122 0.479 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.790 -10.457 -1.003 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.995 -11.958 -0.472 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.774 -10.894 0.722 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.882 -6.900 -0.882 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -1.986 -8.064 -1.887 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.643 -8.437 -1.356 1.00 16.46 H new ATOM 223 N THR A 14 1.088 -10.923 0.041 1.00 9.39 N ATOM 224 CA THR A 14 2.430 -10.538 -0.190 1.00 9.63 C ATOM 225 C THR A 14 2.374 -9.864 -1.546 1.00 11.20 C ATOM 226 O THR A 14 1.526 -10.271 -2.341 1.00 11.63 O ATOM 227 CB THR A 14 3.220 -11.848 -0.367 1.00 10.38 C ATOM 228 OG1 THR A 14 2.943 -12.758 0.676 1.00 16.30 O ATOM 229 CG2 THR A 14 4.753 -11.470 -0.270 1.00 11.66 C ATOM 0 H THR A 14 0.738 -11.623 -0.614 1.00 9.39 H new ATOM 0 HA THR A 14 2.865 -9.913 0.590 1.00 9.63 H new ATOM 0 HB THR A 14 2.950 -12.310 -1.317 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.457 -13.581 0.537 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.358 -12.369 -0.390 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.002 -10.757 -1.056 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.957 -11.023 0.703 1.00 11.66 H new ATOM 237 N LEU A 15 3.259 -8.968 -1.857 1.00 8.29 N ATOM 238 CA LEU A 15 3.472 -8.380 -3.155 1.00 9.03 C ATOM 239 C LEU A 15 4.907 -8.324 -3.452 1.00 8.59 C ATOM 240 O LEU A 15 5.725 -8.652 -2.540 1.00 7.79 O ATOM 241 CB LEU A 15 2.861 -6.920 -3.224 1.00 11.08 C ATOM 242 CG LEU A 15 1.335 -6.796 -3.178 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.855 -5.391 -3.424 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.712 -7.669 -4.278 1.00 15.27 C ATOM 0 H LEU A 15 3.904 -8.596 -1.160 1.00 8.29 H new ATOM 0 HA LEU A 15 2.969 -9.003 -3.895 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.272 -6.343 -2.396 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.210 -6.451 -4.144 1.00 11.08 H new ATOM 0 HG LEU A 15 1.036 -7.109 -2.178 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.234 -5.365 -3.379 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.265 -4.728 -2.662 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.185 -5.061 -4.409 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.374 -7.579 -4.243 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.072 -7.339 -5.252 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.995 -8.710 -4.120 1.00 15.27 H new ATOM 256 N GLU A 16 5.329 -8.092 -4.690 1.00 11.04 N ATOM 257 CA GLU A 16 6.713 -8.120 -5.149 1.00 11.50 C ATOM 258 C GLU A 16 7.008 -6.821 -5.802 1.00 10.13 C ATOM 259 O GLU A 16 6.394 -6.524 -6.828 1.00 9.83 O ATOM 260 CB GLU A 16 6.990 -9.228 -6.139 1.00 17.22 C ATOM 261 CG GLU A 16 8.558 -9.515 -6.353 1.00 23.33 C ATOM 262 CD GLU A 16 9.277 -9.937 -5.126 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.871 -10.879 -4.413 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.394 -9.401 -4.909 1.00 28.90 O ATOM 0 H GLU A 16 4.678 -7.867 -5.442 1.00 11.04 H new ATOM 0 HA GLU A 16 7.345 -8.300 -4.279 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.504 -10.142 -5.796 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.541 -8.969 -7.098 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.673 -10.290 -7.111 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.030 -8.614 -6.744 1.00 23.33 H new ATOM 271 N VAL A 17 7.915 -5.952 -5.301 1.00 8.99 N ATOM 272 CA VAL A 17 7.959 -4.581 -5.679 1.00 8.85 C ATOM 273 C VAL A 17 9.334 -4.213 -5.757 1.00 8.04 C ATOM 274 O VAL A 17 10.264 -4.996 -5.592 1.00 8.99 O ATOM 275 CB VAL A 17 7.184 -3.662 -4.796 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.721 -4.056 -4.692 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.813 -3.620 -3.388 1.00 10.54 C ATOM 0 H VAL A 17 8.628 -6.216 -4.621 1.00 8.99 H new ATOM 0 HA VAL A 17 7.462 -4.474 -6.643 1.00 8.85 H new ATOM 0 HB VAL A 17 7.226 -2.672 -5.250 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.201 -3.356 -4.038 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.267 -4.033 -5.683 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.644 -5.062 -4.281 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.238 -2.946 -2.753 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.805 -4.621 -2.956 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.841 -3.264 -3.459 1.00 10.54 H new ATOM 287 N GLU A 18 9.599 -2.914 -6.161 1.00 7.29 N ATOM 288 CA GLU A 18 10.949 -2.346 -6.147 1.00 7.08 C ATOM 289 C GLU A 18 10.950 -1.108 -5.190 1.00 6.45 C ATOM 290 O GLU A 18 9.902 -0.552 -4.952 1.00 5.28 O ATOM 291 CB GLU A 18 11.440 -1.814 -7.581 1.00 10.28 C ATOM 292 CG GLU A 18 11.614 -2.962 -8.662 1.00 12.65 C ATOM 293 CD GLU A 18 12.677 -4.021 -8.390 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.837 -3.607 -8.186 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.433 -5.270 -8.423 1.00 18.17 O ATOM 0 H GLU A 18 8.881 -2.270 -6.493 1.00 7.29 H new ATOM 0 HA GLU A 18 11.619 -3.146 -5.831 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.722 -1.083 -7.953 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.390 -1.294 -7.460 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.655 -3.467 -8.775 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.842 -2.493 -9.619 1.00 12.65 H new ATOM 302 N PRO A 19 12.072 -0.770 -4.621 1.00 7.24 N ATOM 303 CA PRO A 19 12.113 0.407 -3.748 1.00 7.07 C ATOM 304 C PRO A 19 11.973 1.719 -4.528 1.00 6.65 C ATOM 305 O PRO A 19 11.551 2.752 -3.993 1.00 6.37 O ATOM 306 CB PRO A 19 13.516 0.456 -3.134 1.00 7.61 C ATOM 307 CG PRO A 19 14.330 -0.342 -4.220 1.00 8.16 C ATOM 308 CD PRO A 19 13.372 -1.399 -4.815 1.00 7.49 C ATOM 0 HA PRO A 19 11.299 0.320 -3.029 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.879 1.476 -3.010 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.557 -0.018 -2.153 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.696 0.328 -4.998 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.203 -0.820 -3.774 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.579 -1.592 -5.868 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.445 -2.355 -4.296 1.00 7.49 H new ATOM 316 N SER A 20 12.330 1.699 -5.861 1.00 6.80 N ATOM 317 CA SER A 20 12.253 2.968 -6.605 1.00 6.28 C ATOM 318 C SER A 20 10.987 3.279 -7.216 1.00 8.45 C ATOM 319 O SER A 20 10.865 4.224 -7.992 1.00 7.26 O ATOM 320 CB SER A 20 13.406 2.977 -7.620 1.00 8.57 C ATOM 321 OG SER A 20 13.458 1.736 -8.383 1.00 11.13 O ATOM 0 H SER A 20 12.645 0.884 -6.387 1.00 6.80 H new ATOM 0 HA SER A 20 12.349 3.772 -5.876 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.285 3.819 -8.301 1.00 8.57 H new ATOM 0 HB3 SER A 20 14.351 3.123 -7.097 1.00 8.57 H new ATOM 0 HG SER A 20 14.201 1.775 -9.021 1.00 11.13 H new ATOM 327 N ASP A 21 9.949 2.522 -6.877 1.00 7.50 N ATOM 328 CA ASP A 21 8.578 2.666 -7.453 1.00 7.70 C ATOM 329 C ASP A 21 7.730 3.602 -6.629 1.00 7.08 C ATOM 330 O ASP A 21 8.121 4.017 -5.500 1.00 8.11 O ATOM 331 CB ASP A 21 7.945 1.236 -7.572 1.00 11.00 C ATOM 332 CG ASP A 21 6.910 1.143 -8.615 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.759 2.075 -9.535 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.240 0.076 -8.675 1.00 14.36 O ATOM 0 H ASP A 21 10.017 1.775 -6.186 1.00 7.50 H new ATOM 0 HA ASP A 21 8.634 3.115 -8.445 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.733 0.514 -7.786 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.510 0.958 -6.612 1.00 11.00 H new ATOM 339 N THR A 22 6.575 3.943 -7.200 1.00 5.37 N ATOM 340 CA THR A 22 5.647 4.805 -6.489 1.00 6.01 C ATOM 341 C THR A 22 4.556 4.125 -5.861 1.00 8.01 C ATOM 342 O THR A 22 4.138 2.973 -6.166 1.00 8.11 O ATOM 343 CB THR A 22 5.038 5.995 -7.280 1.00 8.92 C ATOM 344 OG1 THR A 22 4.468 5.675 -8.587 1.00 10.22 O ATOM 345 CG2 THR A 22 6.192 7.034 -7.515 1.00 9.65 C ATOM 0 H THR A 22 6.270 3.643 -8.126 1.00 5.37 H new ATOM 0 HA THR A 22 6.333 5.208 -5.744 1.00 6.01 H new ATOM 0 HB THR A 22 4.207 6.360 -6.677 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.112 6.491 -8.997 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.805 7.889 -8.070 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.580 7.371 -6.554 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.994 6.565 -8.085 1.00 9.65 H new ATOM 353 N ILE A 23 4.002 4.763 -4.828 1.00 8.32 N ATOM 354 CA ILE A 23 2.903 4.303 -4.032 1.00 9.92 C ATOM 355 C ILE A 23 1.670 4.028 -4.776 1.00 10.01 C ATOM 356 O ILE A 23 0.942 3.099 -4.450 1.00 8.71 O ATOM 357 CB ILE A 23 2.607 5.341 -3.061 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.841 5.774 -2.214 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.448 5.154 -2.089 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.513 4.720 -1.357 1.00 12.30 C ATOM 0 H ILE A 23 4.344 5.673 -4.519 1.00 8.32 H new ATOM 0 HA ILE A 23 3.213 3.355 -3.592 1.00 9.92 H new ATOM 0 HB ILE A 23 2.284 6.109 -3.764 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.589 6.179 -2.895 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.530 6.589 -1.560 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.374 6.026 -1.439 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.519 5.038 -2.648 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.620 4.264 -1.484 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.354 5.165 -0.826 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.796 4.326 -0.637 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.872 3.910 -1.992 1.00 12.30 H new ATOM 372 N GLU A 24 1.380 4.771 -5.802 1.00 9.54 N ATOM 373 CA GLU A 24 0.215 4.641 -6.682 1.00 11.81 C ATOM 374 C GLU A 24 0.079 3.318 -7.352 1.00 11.14 C ATOM 375 O GLU A 24 -0.959 2.606 -7.362 1.00 10.62 O ATOM 376 CB GLU A 24 0.347 5.791 -7.681 1.00 19.24 C ATOM 377 CG GLU A 24 -0.893 5.984 -8.575 1.00 27.76 C ATOM 378 CD GLU A 24 -0.809 7.000 -9.636 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.168 8.215 -9.431 1.00 34.80 O ATOM 380 OE2 GLU A 24 -0.515 6.609 -10.790 1.00 36.51 O ATOM 0 H GLU A 24 1.983 5.545 -6.082 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.703 4.696 -6.097 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.536 6.715 -7.134 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.216 5.612 -8.315 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.124 5.027 -9.042 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.736 6.237 -7.932 1.00 27.76 H new ATOM 387 N ASN A 25 1.222 2.951 -7.953 1.00 9.43 N ATOM 388 CA ASN A 25 1.447 1.666 -8.555 1.00 10.96 C ATOM 389 C ASN A 25 1.361 0.430 -7.621 1.00 9.68 C ATOM 390 O ASN A 25 0.966 -0.667 -8.037 1.00 9.33 O ATOM 391 CB ASN A 25 2.858 1.597 -9.240 1.00 16.78 C ATOM 392 CG ASN A 25 2.657 2.390 -10.554 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.095 3.571 -10.683 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.978 1.834 -11.589 1.00 24.70 N ATOM 0 H ASN A 25 2.027 3.573 -8.025 1.00 9.43 H new ATOM 0 HA ASN A 25 0.619 1.601 -9.260 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.631 2.044 -8.615 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.161 0.568 -9.434 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.830 2.366 -12.447 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.615 0.884 -11.509 1.00 24.70 H new ATOM 401 N VAL A 26 1.606 0.607 -6.303 1.00 6.52 N ATOM 402 CA VAL A 26 1.265 -0.416 -5.323 1.00 5.53 C ATOM 403 C VAL A 26 -0.224 -0.657 -5.098 1.00 4.42 C ATOM 404 O VAL A 26 -0.836 -1.727 -4.944 1.00 3.40 O ATOM 405 CB VAL A 26 1.962 -0.164 -4.035 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.605 -1.222 -3.004 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.466 -0.241 -4.181 1.00 8.12 C ATOM 0 H VAL A 26 2.035 1.444 -5.909 1.00 6.52 H new ATOM 0 HA VAL A 26 1.621 -1.345 -5.768 1.00 5.53 H new ATOM 0 HB VAL A 26 1.647 0.832 -3.725 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.129 -1.013 -2.071 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.530 -1.209 -2.827 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.900 -2.204 -3.373 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.935 -0.051 -3.216 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.747 -1.234 -4.532 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.800 0.506 -4.901 1.00 8.12 H new ATOM 417 N LYS A 27 -0.969 0.476 -5.191 1.00 2.64 N ATOM 418 CA LYS A 27 -2.435 0.347 -5.093 1.00 4.14 C ATOM 419 C LYS A 27 -3.071 -0.443 -6.163 1.00 5.58 C ATOM 420 O LYS A 27 -3.958 -1.247 -5.857 1.00 4.11 O ATOM 421 CB LYS A 27 -3.144 1.720 -5.008 1.00 3.97 C ATOM 422 CG LYS A 27 -2.673 2.488 -3.798 1.00 7.45 C ATOM 423 CD LYS A 27 -3.300 3.899 -3.703 1.00 9.02 C ATOM 424 CE LYS A 27 -2.918 4.612 -2.376 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.555 5.965 -2.260 1.00 15.47 N ATOM 0 H LYS A 27 -0.608 1.420 -5.324 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.567 -0.206 -4.163 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.943 2.296 -5.911 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.223 1.575 -4.956 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.918 1.925 -2.898 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.587 2.579 -3.831 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.968 4.502 -4.548 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.385 3.820 -3.774 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.224 3.994 -1.532 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.834 4.716 -2.319 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.182 6.453 -1.421 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.340 6.524 -3.110 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.585 5.857 -2.168 1.00 15.47 H new ATOM 439 N ALA A 28 -2.631 -0.334 -7.463 1.00 6.61 N ATOM 440 CA ALA A 28 -3.105 -1.123 -8.565 1.00 7.74 C ATOM 441 C ALA A 28 -2.908 -2.611 -8.440 1.00 9.17 C ATOM 442 O ALA A 28 -3.663 -3.436 -8.951 1.00 11.45 O ATOM 443 CB ALA A 28 -2.289 -0.641 -9.787 1.00 7.68 C ATOM 0 H ALA A 28 -1.915 0.338 -7.739 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.184 -0.985 -8.631 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.595 -1.199 -10.672 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.469 0.422 -9.948 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.227 -0.806 -9.603 1.00 7.68 H new ATOM 449 N LYS A 29 -1.834 -3.005 -7.713 1.00 8.96 N ATOM 450 CA LYS A 29 -1.539 -4.413 -7.434 1.00 7.90 C ATOM 451 C LYS A 29 -2.421 -4.898 -6.328 1.00 6.92 C ATOM 452 O LYS A 29 -2.764 -6.077 -6.283 1.00 6.87 O ATOM 453 CB LYS A 29 -0.058 -4.529 -7.005 1.00 10.28 C ATOM 454 CG LYS A 29 1.051 -4.604 -8.062 1.00 14.94 C ATOM 455 CD LYS A 29 2.465 -4.561 -7.389 1.00 19.69 C ATOM 456 CE LYS A 29 3.635 -4.890 -8.328 1.00 22.63 C ATOM 457 NZ LYS A 29 3.609 -3.930 -9.466 1.00 24.98 N ATOM 0 H LYS A 29 -1.159 -2.354 -7.311 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.718 -5.017 -8.323 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.161 -3.672 -6.368 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.029 -5.420 -6.383 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.947 -5.522 -8.641 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.950 -3.773 -8.761 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.622 -3.567 -6.970 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.477 -5.264 -6.556 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.582 -4.819 -7.793 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.552 -5.914 -8.693 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.484 -4.025 -10.020 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.790 -4.134 -10.074 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.535 -2.959 -9.100 1.00 24.98 H new ATOM 471 N ILE A 30 -2.926 -4.022 -5.427 1.00 4.57 N ATOM 472 CA ILE A 30 -3.901 -4.501 -4.420 1.00 5.58 C ATOM 473 C ILE A 30 -5.282 -4.552 -5.067 1.00 7.26 C ATOM 474 O ILE A 30 -6.135 -5.385 -4.685 1.00 9.46 O ATOM 475 CB ILE A 30 -3.840 -3.576 -3.112 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.570 -3.768 -2.325 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.126 -3.785 -2.198 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.382 -2.679 -1.317 1.00 2.00 C ATOM 0 H ILE A 30 -2.690 -3.031 -5.375 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.658 -5.509 -4.085 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.836 -2.543 -3.459 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.596 -4.733 -1.819 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.718 -3.787 -3.005 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.056 -3.144 -1.319 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.021 -3.527 -2.764 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.184 -4.827 -1.884 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.456 -2.848 -0.767 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.331 -1.717 -1.826 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.222 -2.677 -0.622 1.00 2.00 H new ATOM 490 N GLN A 31 -5.517 -3.738 -6.151 1.00 7.06 N ATOM 491 CA GLN A 31 -6.708 -3.905 -6.982 1.00 8.67 C ATOM 492 C GLN A 31 -6.720 -5.266 -7.598 1.00 10.90 C ATOM 493 O GLN A 31 -7.721 -5.958 -7.550 1.00 9.63 O ATOM 494 CB GLN A 31 -6.966 -2.824 -7.997 1.00 9.12 C ATOM 495 CG GLN A 31 -8.255 -2.951 -8.736 1.00 10.76 C ATOM 496 CD GLN A 31 -8.361 -1.770 -9.723 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.414 -1.301 -10.334 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.568 -1.273 -9.916 1.00 14.76 N ATOM 0 H GLN A 31 -4.897 -2.983 -6.445 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.549 -3.801 -6.296 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.948 -1.859 -7.491 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.149 -2.821 -8.719 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.294 -3.899 -9.272 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.095 -2.942 -8.041 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.365 -1.659 -9.410 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.704 -0.503 -10.571 1.00 14.76 H new ATOM 507 N ASP A 32 -5.622 -5.639 -8.184 1.00 10.93 N ATOM 508 CA ASP A 32 -5.450 -6.979 -8.823 1.00 14.01 C ATOM 509 C ASP A 32 -5.660 -8.113 -7.814 1.00 14.04 C ATOM 510 O ASP A 32 -6.351 -9.080 -8.213 1.00 13.39 O ATOM 511 CB ASP A 32 -4.023 -7.017 -9.357 1.00 18.01 C ATOM 512 CG ASP A 32 -3.799 -8.011 -10.442 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.483 -8.085 -11.456 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.831 -8.820 -10.238 1.00 25.17 O ATOM 0 H ASP A 32 -4.796 -5.044 -8.251 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.186 -7.121 -9.614 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.760 -6.026 -9.728 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.345 -7.238 -8.533 1.00 18.01 H new ATOM 519 N LYS A 33 -5.117 -8.000 -6.609 1.00 14.22 N ATOM 520 CA LYS A 33 -5.207 -9.105 -5.578 1.00 14.00 C ATOM 521 C LYS A 33 -6.589 -9.192 -4.990 1.00 12.37 C ATOM 522 O LYS A 33 -7.280 -10.191 -5.046 1.00 12.17 O ATOM 523 CB LYS A 33 -4.219 -8.871 -4.450 1.00 18.62 C ATOM 524 CG LYS A 33 -2.768 -9.293 -4.841 1.00 24.00 C ATOM 525 CD LYS A 33 -2.502 -10.820 -4.795 1.00 27.61 C ATOM 526 CE LYS A 33 -1.048 -11.361 -4.763 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.436 -11.071 -6.042 1.00 30.06 N ATOM 0 H LYS A 33 -4.607 -7.175 -6.293 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.972 -10.038 -6.090 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.227 -7.816 -4.175 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.534 -9.432 -3.571 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.558 -8.932 -5.848 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.067 -8.796 -4.171 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.011 -11.210 -3.913 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.991 -11.259 -5.665 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.485 -10.893 -3.956 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.045 -12.434 -4.573 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.542 -11.424 -6.047 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.976 -11.537 -6.799 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.434 -10.043 -6.201 1.00 30.06 H new ATOM 541 N GLU A 34 -7.120 -8.093 -4.409 1.00 10.11 N ATOM 542 CA GLU A 34 -8.252 -8.134 -3.514 1.00 10.07 C ATOM 543 C GLU A 34 -9.483 -7.496 -4.111 1.00 9.32 C ATOM 544 O GLU A 34 -10.601 -7.536 -3.533 1.00 11.61 O ATOM 545 CB GLU A 34 -7.927 -7.402 -2.129 1.00 14.77 C ATOM 546 CG GLU A 34 -6.839 -8.041 -1.267 1.00 18.75 C ATOM 547 CD GLU A 34 -7.199 -9.502 -0.962 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.206 -9.724 -0.261 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.554 -10.478 -1.461 1.00 21.95 O ATOM 0 H GLU A 34 -6.756 -7.153 -4.563 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.452 -9.191 -3.340 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.634 -6.375 -2.345 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.845 -7.355 -1.543 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.880 -7.995 -1.784 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.727 -7.484 -0.337 1.00 18.75 H new ATOM 556 N GLY A 35 -9.369 -6.769 -5.262 1.00 7.22 N ATOM 557 CA GLY A 35 -10.553 -6.146 -5.862 1.00 6.29 C ATOM 558 C GLY A 35 -10.956 -4.830 -5.265 1.00 6.93 C ATOM 559 O GLY A 35 -12.188 -4.504 -5.175 1.00 7.41 O ATOM 0 H GLY A 35 -8.496 -6.613 -5.766 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.368 -6.002 -6.926 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.391 -6.838 -5.775 1.00 6.29 H new ATOM 563 N ILE A 36 -9.976 -4.004 -4.807 1.00 5.86 N ATOM 564 CA ILE A 36 -10.248 -2.751 -4.115 1.00 6.07 C ATOM 565 C ILE A 36 -9.763 -1.622 -5.043 1.00 6.36 C ATOM 566 O ILE A 36 -8.581 -1.485 -5.349 1.00 6.18 O ATOM 567 CB ILE A 36 -9.578 -2.654 -2.719 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.963 -3.817 -1.785 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.996 -1.325 -2.060 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.271 -3.945 -0.428 1.00 9.49 C ATOM 0 H ILE A 36 -8.982 -4.204 -4.916 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.316 -2.677 -3.911 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.500 -2.705 -2.871 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.035 -3.749 -1.601 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.791 -4.746 -2.330 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.531 -1.244 -1.077 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.672 -0.492 -2.684 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.080 -1.298 -1.952 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.661 -4.816 0.098 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.197 -4.061 -0.577 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.461 -3.049 0.163 1.00 9.49 H new ATOM 582 N PRO A 37 -10.595 -0.765 -5.567 1.00 8.65 N ATOM 583 CA PRO A 37 -10.191 0.328 -6.433 1.00 9.18 C ATOM 584 C PRO A 37 -9.176 1.219 -5.746 1.00 9.85 C ATOM 585 O PRO A 37 -9.296 1.381 -4.546 1.00 8.51 O ATOM 586 CB PRO A 37 -11.502 1.117 -6.653 1.00 11.42 C ATOM 587 CG PRO A 37 -12.649 0.187 -6.284 1.00 9.27 C ATOM 588 CD PRO A 37 -12.048 -0.762 -5.286 1.00 8.33 C ATOM 0 HA PRO A 37 -9.727 -0.023 -7.355 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.520 2.015 -6.035 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.587 1.442 -7.690 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.486 0.738 -5.855 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.029 -0.342 -7.158 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.249 -0.437 -4.265 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.470 -1.761 -5.392 1.00 8.33 H new ATOM 596 N PRO A 38 -8.207 1.879 -6.435 1.00 8.71 N ATOM 597 CA PRO A 38 -7.144 2.689 -5.794 1.00 9.08 C ATOM 598 C PRO A 38 -7.665 3.835 -5.101 1.00 9.28 C ATOM 599 O PRO A 38 -7.004 4.359 -4.270 1.00 6.50 O ATOM 600 CB PRO A 38 -6.170 3.089 -6.912 1.00 10.31 C ATOM 601 CG PRO A 38 -6.234 1.901 -7.846 1.00 10.81 C ATOM 602 CD PRO A 38 -7.768 1.509 -7.799 1.00 12.00 C ATOM 0 HA PRO A 38 -6.638 2.108 -5.023 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.477 4.011 -7.407 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.161 3.252 -6.532 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.912 2.160 -8.855 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.596 1.084 -7.508 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.338 2.046 -8.558 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.911 0.445 -7.986 1.00 12.00 H new ATOM 610 N ASP A 39 -8.921 4.299 -5.407 1.00 11.20 N ATOM 611 CA ASP A 39 -9.600 5.338 -4.673 1.00 14.96 C ATOM 612 C ASP A 39 -9.951 4.968 -3.225 1.00 13.99 C ATOM 613 O ASP A 39 -10.042 5.815 -2.384 1.00 13.75 O ATOM 614 CB ASP A 39 -10.880 5.865 -5.300 1.00 24.16 C ATOM 615 CG ASP A 39 -10.576 6.205 -6.750 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.995 7.257 -7.030 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.029 5.434 -7.612 1.00 34.22 O ATOM 0 H ASP A 39 -9.468 3.934 -6.187 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.839 6.118 -4.700 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.671 5.118 -5.240 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.233 6.747 -4.766 1.00 24.16 H new ATOM 622 N GLN A 40 -10.148 3.664 -2.944 1.00 11.60 N ATOM 623 CA GLN A 40 -10.674 3.179 -1.668 1.00 10.76 C ATOM 624 C GLN A 40 -9.538 2.781 -0.798 1.00 8.01 C ATOM 625 O GLN A 40 -9.814 2.154 0.193 1.00 8.96 O ATOM 626 CB GLN A 40 -11.783 2.109 -1.916 1.00 11.14 C ATOM 627 CG GLN A 40 -12.943 2.583 -2.740 1.00 14.85 C ATOM 628 CD GLN A 40 -14.099 1.513 -2.679 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.265 0.584 -1.907 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.947 1.705 -3.752 1.00 18.16 N ATOM 0 H GLN A 40 -9.942 2.917 -3.608 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.193 3.958 -1.110 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.333 1.248 -2.410 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.157 1.764 -0.952 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.300 3.543 -2.367 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.631 2.739 -3.773 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.795 2.487 -4.389 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.726 1.065 -3.908 1.00 18.16 H new ATOM 639 N GLN A 41 -8.269 3.007 -1.110 1.00 6.52 N ATOM 640 CA GLN A 41 -7.176 2.598 -0.323 1.00 3.87 C ATOM 641 C GLN A 41 -6.382 3.774 0.355 1.00 4.79 C ATOM 642 O GLN A 41 -5.775 4.546 -0.329 1.00 6.34 O ATOM 643 CB GLN A 41 -6.160 1.789 -1.211 1.00 4.20 C ATOM 644 CG GLN A 41 -6.804 0.560 -1.866 1.00 3.20 C ATOM 645 CD GLN A 41 -5.732 -0.141 -2.605 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.571 -0.330 -2.252 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.943 -0.621 -3.805 1.00 7.13 N ATOM 0 H GLN A 41 -7.991 3.502 -1.957 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.607 1.994 0.475 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.759 2.442 -1.986 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.318 1.470 -0.596 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.245 -0.093 -1.113 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.607 0.857 -2.540 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.865 -0.538 -4.233 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.185 -1.078 -4.312 1.00 7.13 H new ATOM 656 N ARG A 42 -6.303 3.809 1.690 1.00 5.73 N ATOM 657 CA ARG A 42 -5.227 4.541 2.374 1.00 6.97 C ATOM 658 C ARG A 42 -4.222 3.549 2.954 1.00 7.15 C ATOM 659 O ARG A 42 -4.572 2.588 3.617 1.00 7.33 O ATOM 660 CB ARG A 42 -5.760 5.470 3.480 1.00 13.23 C ATOM 661 CG ARG A 42 -6.564 6.665 2.946 1.00 21.27 C ATOM 662 CD ARG A 42 -7.046 7.599 4.051 1.00 26.14 C ATOM 663 NE ARG A 42 -7.878 8.717 3.435 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.091 9.132 3.877 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.790 8.492 4.811 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.555 10.290 3.381 1.00 36.39 N ATOM 0 H ARG A 42 -6.963 3.345 2.314 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.737 5.176 1.636 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.390 4.892 4.156 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.920 5.841 4.067 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.947 7.228 2.246 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.425 6.297 2.388 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.640 7.045 4.778 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.194 8.017 4.588 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.490 9.194 2.621 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.417 7.642 5.234 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.698 8.852 5.104 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.000 10.814 2.704 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.462 10.646 3.681 1.00 36.39 H new ATOM 680 N LEU A 43 -2.962 3.750 2.600 1.00 4.65 N ATOM 681 CA LEU A 43 -1.936 2.801 2.916 1.00 3.51 C ATOM 682 C LEU A 43 -1.098 3.417 4.080 1.00 5.56 C ATOM 683 O LEU A 43 -0.570 4.519 4.007 1.00 4.19 O ATOM 684 CB LEU A 43 -0.982 2.424 1.789 1.00 3.74 C ATOM 685 CG LEU A 43 -1.550 1.786 0.578 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.488 1.358 -0.498 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.419 0.545 0.864 1.00 6.41 C ATOM 0 H LEU A 43 -2.636 4.571 2.091 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.449 1.871 3.162 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.461 3.329 1.476 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.230 1.750 2.200 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.168 2.592 0.182 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.995 0.901 -1.348 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.064 2.236 -0.834 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.205 0.640 -0.060 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.795 0.140 -0.075 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.819 -0.211 1.371 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.259 0.827 1.499 1.00 6.41 H new ATOM 699 N ILE A 44 -0.933 2.637 5.160 1.00 4.58 N ATOM 700 CA ILE A 44 -0.214 3.093 6.379 1.00 5.55 C ATOM 701 C ILE A 44 0.961 2.162 6.611 1.00 5.46 C ATOM 702 O ILE A 44 0.828 0.930 6.685 1.00 6.04 O ATOM 703 CB ILE A 44 -1.103 3.242 7.638 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.994 4.518 7.519 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.336 3.240 9.008 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.202 4.503 6.553 1.00 13.90 C ATOM 0 H ILE A 44 -1.286 1.682 5.222 1.00 4.58 H new ATOM 0 HA ILE A 44 0.135 4.110 6.199 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.718 2.342 7.659 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.372 4.749 8.515 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.347 5.344 7.224 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.050 3.350 9.825 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.204 2.300 9.121 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.371 4.069 9.030 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.711 5.466 6.593 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.853 4.319 5.537 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.894 3.714 6.848 1.00 13.90 H new ATOM 718 N PHE A 45 2.158 2.739 6.680 1.00 6.75 N ATOM 719 CA PHE A 45 3.335 2.031 7.108 1.00 4.70 C ATOM 720 C PHE A 45 4.016 2.869 8.295 1.00 6.34 C ATOM 721 O PHE A 45 4.311 4.047 8.169 1.00 5.45 O ATOM 722 CB PHE A 45 4.295 1.701 5.912 1.00 5.51 C ATOM 723 CG PHE A 45 5.686 1.329 6.352 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.988 0.012 6.723 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.672 2.321 6.415 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.322 -0.301 7.027 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.018 2.002 6.740 1.00 6.64 C ATOM 728 CZ PHE A 45 8.321 0.689 7.021 1.00 6.84 C ATOM 0 H PHE A 45 2.327 3.715 6.437 1.00 6.75 H new ATOM 0 HA PHE A 45 3.068 1.049 7.499 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.873 0.880 5.332 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.349 2.565 5.249 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.216 -0.741 6.774 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.405 3.348 6.213 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.586 -1.320 7.270 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.780 2.767 6.766 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.342 0.415 7.240 1.00 6.84 H new ATOM 738 N ALA A 46 4.292 2.198 9.415 1.00 6.53 N ATOM 739 CA ALA A 46 4.935 2.713 10.622 1.00 7.15 C ATOM 740 C ALA A 46 4.189 3.874 11.188 1.00 9.00 C ATOM 741 O ALA A 46 4.758 4.856 11.737 1.00 11.15 O ATOM 742 CB ALA A 46 6.406 2.982 10.372 1.00 8.99 C ATOM 0 H ALA A 46 4.054 1.210 9.507 1.00 6.53 H new ATOM 0 HA ALA A 46 4.897 1.948 11.397 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.866 3.365 11.283 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.900 2.056 10.077 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.511 3.719 9.575 1.00 8.99 H new ATOM 748 N GLY A 47 2.843 3.895 11.145 1.00 9.35 N ATOM 749 CA GLY A 47 1.869 4.891 11.623 1.00 11.68 C ATOM 750 C GLY A 47 1.744 6.087 10.730 1.00 11.14 C ATOM 751 O GLY A 47 1.178 7.092 11.072 1.00 13.93 O ATOM 0 H GLY A 47 2.351 3.110 10.718 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.893 4.415 11.717 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.160 5.222 12.620 1.00 11.68 H new ATOM 755 N LYS A 48 2.423 5.989 9.534 1.00 10.47 N ATOM 756 CA LYS A 48 2.482 7.065 8.528 1.00 8.82 C ATOM 757 C LYS A 48 1.801 6.670 7.249 1.00 7.68 C ATOM 758 O LYS A 48 1.954 5.565 6.676 1.00 6.47 O ATOM 759 CB LYS A 48 3.957 7.372 8.167 1.00 9.74 C ATOM 760 CG LYS A 48 4.766 7.799 9.390 1.00 14.14 C ATOM 761 CD LYS A 48 6.286 8.004 9.108 1.00 16.32 C ATOM 762 CE LYS A 48 6.985 6.635 8.837 1.00 20.04 C ATOM 763 NZ LYS A 48 8.446 6.866 8.605 1.00 23.92 N ATOM 0 H LYS A 48 2.938 5.153 9.260 1.00 10.47 H new ATOM 0 HA LYS A 48 1.983 7.930 8.966 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.413 6.488 7.721 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.990 8.161 7.416 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.351 8.728 9.780 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.650 7.046 10.170 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.416 8.661 8.248 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.756 8.496 9.959 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.841 5.965 9.685 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.539 6.151 7.968 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.917 5.957 8.424 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.572 7.491 7.783 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.865 7.311 9.446 1.00 23.92 H new ATOM 777 N GLN A 49 0.898 7.555 6.742 1.00 8.89 N ATOM 778 CA GLN A 49 0.113 7.384 5.544 1.00 7.18 C ATOM 779 C GLN A 49 0.760 7.759 4.235 1.00 8.23 C ATOM 780 O GLN A 49 1.218 8.916 4.042 1.00 9.70 O ATOM 781 CB GLN A 49 -1.157 8.185 5.698 1.00 11.67 C ATOM 782 CG GLN A 49 -2.240 7.919 4.675 1.00 15.82 C ATOM 783 CD GLN A 49 -3.525 8.690 4.968 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.998 9.454 4.080 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.218 8.548 6.157 1.00 20.67 N ATOM 0 H GLN A 49 0.708 8.445 7.202 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.045 6.308 5.467 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.567 7.992 6.689 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -0.902 9.244 5.660 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.875 8.192 3.685 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.458 6.851 4.651 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.856 7.937 6.889 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.091 9.055 6.302 1.00 20.67 H new ATOM 794 N LEU A 50 0.794 6.805 3.325 1.00 6.51 N ATOM 795 CA LEU A 50 1.653 6.904 2.159 1.00 7.41 C ATOM 796 C LEU A 50 0.920 7.641 1.030 1.00 8.27 C ATOM 797 O LEU A 50 -0.216 7.257 0.696 1.00 8.34 O ATOM 798 CB LEU A 50 2.148 5.504 1.696 1.00 7.13 C ATOM 799 CG LEU A 50 2.756 4.611 2.742 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.954 3.200 2.145 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.984 5.255 3.326 1.00 9.11 C ATOM 0 H LEU A 50 0.237 5.952 3.370 1.00 6.51 H new ATOM 0 HA LEU A 50 2.538 7.479 2.430 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.304 4.977 1.251 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.885 5.650 0.906 1.00 7.13 H new ATOM 0 HG LEU A 50 2.092 4.477 3.596 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.395 2.545 2.897 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.990 2.798 1.834 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.617 3.260 1.282 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.415 4.598 4.082 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.715 5.427 2.536 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.713 6.206 3.784 1.00 9.11 H new ATOM 813 N GLU A 51 1.513 8.673 0.472 1.00 9.43 N ATOM 814 CA GLU A 51 0.910 9.519 -0.473 1.00 11.90 C ATOM 815 C GLU A 51 1.306 9.097 -1.878 1.00 11.49 C ATOM 816 O GLU A 51 2.456 8.615 -2.166 1.00 9.88 O ATOM 817 CB GLU A 51 1.288 10.967 -0.049 1.00 16.56 C ATOM 818 CG GLU A 51 0.803 12.078 -1.042 1.00 26.06 C ATOM 819 CD GLU A 51 1.336 13.384 -0.584 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.157 13.778 0.618 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.994 14.062 -1.410 1.00 32.13 O ATOM 0 H GLU A 51 2.473 8.938 0.691 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.178 9.460 -0.497 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.865 11.167 0.936 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.371 11.033 0.050 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.150 11.861 -2.052 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.286 12.105 -1.078 1.00 26.06 H new ATOM 828 N ASP A 52 0.352 9.137 -2.845 1.00 12.71 N ATOM 829 CA ASP A 52 0.425 8.454 -4.164 1.00 16.56 C ATOM 830 C ASP A 52 1.580 8.770 -5.067 1.00 15.83 C ATOM 831 O ASP A 52 2.144 7.841 -5.680 1.00 17.21 O ATOM 832 CB ASP A 52 -0.864 8.745 -4.979 1.00 21.05 C ATOM 833 CG ASP A 52 -2.097 8.421 -4.167 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.479 9.250 -3.308 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.650 7.284 -4.363 1.00 28.37 O ATOM 0 H ASP A 52 -0.515 9.661 -2.725 1.00 12.71 H new ATOM 0 HA ASP A 52 0.558 7.412 -3.872 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.883 9.794 -5.275 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.861 8.155 -5.895 1.00 21.05 H new ATOM 840 N GLY A 53 2.086 10.027 -5.134 1.00 15.00 N ATOM 841 CA GLY A 53 3.172 10.321 -5.973 1.00 11.77 C ATOM 842 C GLY A 53 4.587 10.242 -5.396 1.00 11.10 C ATOM 843 O GLY A 53 5.576 10.465 -6.123 1.00 11.25 O ATOM 0 H GLY A 53 1.730 10.820 -4.601 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.124 9.644 -6.826 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.028 11.330 -6.359 1.00 11.77 H new ATOM 847 N ARG A 54 4.676 9.920 -4.088 1.00 8.53 N ATOM 848 CA ARG A 54 5.969 9.679 -3.495 1.00 9.05 C ATOM 849 C ARG A 54 6.533 8.276 -3.833 1.00 8.96 C ATOM 850 O ARG A 54 5.802 7.420 -4.363 1.00 11.60 O ATOM 851 CB ARG A 54 5.892 9.806 -1.960 1.00 7.97 C ATOM 852 CG ARG A 54 4.829 10.800 -1.413 1.00 9.62 C ATOM 853 CD ARG A 54 5.404 12.200 -1.462 1.00 12.20 C ATOM 854 NE ARG A 54 4.484 13.018 -0.582 1.00 18.23 N ATOM 855 CZ ARG A 54 4.855 13.472 0.636 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.119 13.534 1.072 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.913 14.022 1.359 1.00 23.38 N ATOM 0 H ARG A 54 3.882 9.828 -3.454 1.00 8.53 H new ATOM 0 HA ARG A 54 6.637 10.431 -3.915 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.688 8.820 -1.543 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.871 10.112 -1.591 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.918 10.745 -2.009 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.558 10.538 -0.390 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.429 12.221 -1.093 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.425 12.585 -2.481 1.00 12.20 H new ATOM 0 HE ARG A 54 3.547 13.235 -0.921 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.882 13.225 0.470 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.319 13.890 2.007 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.963 14.088 0.994 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.129 14.384 2.288 1.00 23.38 H new ATOM 871 N THR A 55 7.818 8.065 -3.524 1.00 9.05 N ATOM 872 CA THR A 55 8.410 6.724 -3.706 1.00 9.03 C ATOM 873 C THR A 55 8.481 5.925 -2.438 1.00 8.15 C ATOM 874 O THR A 55 8.460 6.383 -1.294 1.00 5.91 O ATOM 875 CB THR A 55 9.806 6.660 -4.423 1.00 11.15 C ATOM 876 OG1 THR A 55 10.846 6.924 -3.521 1.00 11.95 O ATOM 877 CG2 THR A 55 9.865 7.680 -5.550 1.00 11.71 C ATOM 0 H THR A 55 8.453 8.775 -3.159 1.00 9.05 H new ATOM 0 HA THR A 55 7.692 6.275 -4.392 1.00 9.03 H new ATOM 0 HB THR A 55 9.927 5.654 -4.825 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.705 6.877 -3.990 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.838 7.626 -6.039 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.081 7.466 -6.276 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.719 8.681 -5.143 1.00 11.71 H new ATOM 885 N LEU A 56 8.508 4.575 -2.547 1.00 6.91 N ATOM 886 CA LEU A 56 8.793 3.645 -1.459 1.00 8.29 C ATOM 887 C LEU A 56 10.124 3.892 -0.731 1.00 8.05 C ATOM 888 O LEU A 56 10.123 3.998 0.502 1.00 10.17 O ATOM 889 CB LEU A 56 8.754 2.120 -1.900 1.00 6.60 C ATOM 890 CG LEU A 56 7.357 1.460 -2.236 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.627 2.062 -3.436 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.479 -0.092 -2.416 1.00 8.64 C ATOM 0 H LEU A 56 8.324 4.100 -3.431 1.00 6.91 H new ATOM 0 HA LEU A 56 7.978 3.850 -0.765 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.389 2.014 -2.780 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.213 1.534 -1.103 1.00 6.60 H new ATOM 0 HG LEU A 56 6.744 1.687 -1.364 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.681 1.542 -3.585 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.435 3.119 -3.252 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.244 1.955 -4.328 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.499 -0.510 -2.646 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.167 -0.311 -3.233 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.856 -0.537 -1.495 1.00 8.64 H new ATOM 904 N SER A 57 11.242 4.188 -1.412 1.00 8.92 N ATOM 905 CA SER A 57 12.478 4.632 -0.777 1.00 9.00 C ATOM 906 C SER A 57 12.315 5.845 0.053 1.00 9.44 C ATOM 907 O SER A 57 12.920 5.844 1.172 1.00 10.91 O ATOM 908 CB SER A 57 13.592 4.932 -1.801 1.00 10.32 C ATOM 909 OG SER A 57 14.836 5.110 -1.152 1.00 13.59 O ATOM 0 H SER A 57 11.307 4.123 -2.428 1.00 8.92 H new ATOM 0 HA SER A 57 12.756 3.792 -0.141 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.664 4.113 -2.517 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.340 5.829 -2.367 1.00 10.32 H new ATOM 0 HG SER A 57 15.529 5.298 -1.819 1.00 13.59 H new ATOM 915 N ASP A 58 11.513 6.851 -0.396 1.00 9.11 N ATOM 916 CA ASP A 58 11.293 8.042 0.381 1.00 7.91 C ATOM 917 C ASP A 58 10.692 7.921 1.775 1.00 9.12 C ATOM 918 O ASP A 58 10.974 8.716 2.657 1.00 8.61 O ATOM 919 CB ASP A 58 10.344 8.922 -0.458 1.00 8.41 C ATOM 920 CG ASP A 58 11.062 9.544 -1.660 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.257 9.913 -1.534 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.412 9.661 -2.733 1.00 11.70 O ATOM 0 H ASP A 58 11.024 6.834 -1.291 1.00 9.11 H new ATOM 0 HA ASP A 58 12.291 8.434 0.577 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.504 8.321 -0.807 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.932 9.713 0.169 1.00 8.41 H new ATOM 927 N TYR A 59 9.904 6.860 2.075 1.00 7.97 N ATOM 928 CA TYR A 59 9.345 6.551 3.388 1.00 8.45 C ATOM 929 C TYR A 59 10.177 5.590 4.068 1.00 10.98 C ATOM 930 O TYR A 59 9.973 5.333 5.276 1.00 12.95 O ATOM 931 CB TYR A 59 7.857 6.091 3.274 1.00 7.94 C ATOM 932 CG TYR A 59 6.934 7.179 2.968 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.556 8.047 4.000 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.338 7.268 1.698 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.495 8.919 3.799 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.343 8.224 1.469 1.00 6.52 C ATOM 937 CZ TYR A 59 4.931 9.014 2.524 1.00 6.76 C ATOM 938 OH TYR A 59 3.767 9.721 2.258 1.00 7.63 O ATOM 0 H TYR A 59 9.637 6.174 1.369 1.00 7.97 H new ATOM 0 HA TYR A 59 9.336 7.457 3.993 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.779 5.329 2.498 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.557 5.623 4.211 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.084 8.038 4.942 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.646 6.603 0.905 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.112 9.514 4.615 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.906 8.342 0.488 1.00 6.52 H new ATOM 0 HH TYR A 59 3.130 9.590 2.991 1.00 7.63 H new ATOM 948 N ASN A 60 11.231 5.017 3.379 1.00 12.38 N ATOM 949 CA ASN A 60 12.137 3.963 3.905 1.00 13.94 C ATOM 950 C ASN A 60 11.330 2.664 3.994 1.00 14.16 C ATOM 951 O ASN A 60 11.322 2.006 5.009 1.00 14.26 O ATOM 952 CB ASN A 60 12.934 4.337 5.163 1.00 19.23 C ATOM 953 CG ASN A 60 14.244 3.590 5.350 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.501 2.624 4.649 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.116 4.038 6.318 1.00 24.09 N ATOM 0 H ASN A 60 11.465 5.292 2.425 1.00 12.38 H new ATOM 0 HA ASN A 60 12.962 3.823 3.206 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.146 5.406 5.134 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.306 4.160 6.036 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.005 3.560 6.465 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.873 4.848 6.888 1.00 24.09 H new ATOM 962 N ILE A 61 10.614 2.191 2.975 1.00 11.08 N ATOM 963 CA ILE A 61 9.803 0.939 3.116 1.00 11.78 C ATOM 964 C ILE A 61 10.779 -0.239 2.707 1.00 13.74 C ATOM 965 O ILE A 61 10.991 -0.590 1.530 1.00 14.60 O ATOM 966 CB ILE A 61 8.545 0.911 2.255 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.709 2.094 2.798 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.892 -0.445 2.502 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.278 2.285 2.115 1.00 11.42 C ATOM 0 H ILE A 61 10.565 2.629 2.055 1.00 11.08 H new ATOM 0 HA ILE A 61 9.433 0.857 4.138 1.00 11.78 H new ATOM 0 HB ILE A 61 8.688 1.017 1.180 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.567 1.956 3.870 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.281 3.012 2.668 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.981 -0.524 1.909 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.582 -1.239 2.215 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.646 -0.543 3.559 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.771 3.139 2.565 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.405 2.460 1.047 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.679 1.387 2.267 1.00 11.42 H new ATOM 981 N GLN A 62 11.424 -0.921 3.707 1.00 13.97 N ATOM 982 CA GLN A 62 12.427 -1.979 3.519 1.00 15.52 C ATOM 983 C GLN A 62 11.874 -3.318 3.125 1.00 13.94 C ATOM 984 O GLN A 62 10.641 -3.601 3.178 1.00 12.15 O ATOM 985 CB GLN A 62 13.255 -2.093 4.800 1.00 19.53 C ATOM 986 CG GLN A 62 14.064 -0.794 5.084 1.00 26.38 C ATOM 987 CD GLN A 62 15.040 -1.076 6.228 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.181 -1.506 6.032 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.621 -0.672 7.425 1.00 32.71 N ATOM 0 H GLN A 62 11.241 -0.729 4.692 1.00 13.97 H new ATOM 0 HA GLN A 62 13.042 -1.681 2.670 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.595 -2.301 5.642 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.940 -2.937 4.716 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.606 -0.481 4.191 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.392 0.021 5.351 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.669 -0.324 7.541 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.252 -0.711 8.226 1.00 32.71 H new ATOM 998 N LYS A 63 12.792 -4.262 2.771 1.00 11.73 N ATOM 999 CA LYS A 63 12.549 -5.684 2.664 1.00 11.97 C ATOM 1000 C LYS A 63 11.807 -6.297 3.806 1.00 10.41 C ATOM 1001 O LYS A 63 11.961 -6.025 5.001 1.00 9.59 O ATOM 1002 CB LYS A 63 13.886 -6.369 2.397 1.00 13.73 C ATOM 1003 CG LYS A 63 14.886 -6.385 3.574 1.00 16.98 C ATOM 1004 CD LYS A 63 16.229 -7.197 3.184 1.00 20.19 C ATOM 1005 CE LYS A 63 17.066 -6.365 2.195 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.351 -7.038 1.770 1.00 25.97 N ATOM 0 H LYS A 63 13.756 -4.015 2.548 1.00 11.73 H new ATOM 0 HA LYS A 63 11.862 -5.839 1.832 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.691 -7.399 2.098 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.361 -5.876 1.549 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.143 -5.363 3.851 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.420 -6.844 4.446 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.811 -7.409 4.081 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.969 -8.157 2.738 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.465 -6.157 1.310 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.303 -5.404 2.652 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.862 -6.422 1.106 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.944 -7.213 2.606 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.132 -7.942 1.305 1.00 25.97 H new ATOM 1020 N GLU A 64 10.778 -7.140 3.427 1.00 10.04 N ATOM 1021 CA GLU A 64 9.983 -7.919 4.374 1.00 10.94 C ATOM 1022 C GLU A 64 9.153 -7.006 5.352 1.00 9.74 C ATOM 1023 O GLU A 64 8.837 -7.370 6.513 1.00 9.42 O ATOM 1024 CB GLU A 64 10.777 -8.989 5.208 1.00 18.31 C ATOM 1025 CG GLU A 64 11.269 -10.096 4.335 1.00 24.16 C ATOM 1026 CD GLU A 64 12.366 -10.871 4.987 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.238 -11.235 6.187 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.375 -11.200 4.312 1.00 32.61 O ATOM 0 H GLU A 64 10.502 -7.277 2.455 1.00 10.04 H new ATOM 0 HA GLU A 64 9.309 -8.477 3.724 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.621 -8.512 5.706 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.134 -9.396 5.989 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.443 -10.766 4.097 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.627 -9.683 3.392 1.00 24.16 H new ATOM 1035 N SER A 65 8.739 -5.835 4.813 1.00 6.85 N ATOM 1036 CA SER A 65 7.911 -4.874 5.524 1.00 6.90 C ATOM 1037 C SER A 65 6.466 -5.166 5.379 1.00 4.72 C ATOM 1038 O SER A 65 6.059 -5.763 4.418 1.00 3.91 O ATOM 1039 CB SER A 65 7.996 -3.421 5.043 1.00 7.28 C ATOM 1040 OG SER A 65 9.256 -2.825 5.422 1.00 10.56 O ATOM 0 H SER A 65 8.980 -5.543 3.866 1.00 6.85 H new ATOM 0 HA SER A 65 8.305 -4.975 6.535 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.884 -3.385 3.959 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.174 -2.845 5.468 1.00 7.28 H new ATOM 0 HG SER A 65 9.922 -2.995 4.723 1.00 10.56 H new ATOM 1046 N THR A 66 5.639 -4.651 6.345 1.00 4.48 N ATOM 1047 CA THR A 66 4.190 -4.925 6.454 1.00 3.80 C ATOM 1048 C THR A 66 3.552 -3.618 6.332 1.00 4.60 C ATOM 1049 O THR A 66 3.881 -2.658 7.024 1.00 5.33 O ATOM 1050 CB THR A 66 3.697 -5.436 7.823 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.164 -6.773 7.936 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.153 -5.551 8.034 1.00 3.40 C ATOM 0 H THR A 66 5.979 -4.025 7.075 1.00 4.48 H new ATOM 0 HA THR A 66 3.963 -5.688 5.710 1.00 3.80 H new ATOM 0 HB THR A 66 4.061 -4.704 8.544 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.878 -7.148 8.795 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.950 -5.922 9.039 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.695 -4.570 7.910 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.736 -6.241 7.301 1.00 3.40 H new ATOM 1060 N LEU A 67 2.655 -3.489 5.326 1.00 4.17 N ATOM 1061 CA LEU A 67 1.928 -2.273 5.086 1.00 3.85 C ATOM 1062 C LEU A 67 0.527 -2.581 5.622 1.00 3.80 C ATOM 1063 O LEU A 67 0.052 -3.704 5.574 1.00 5.54 O ATOM 1064 CB LEU A 67 1.749 -1.843 3.560 1.00 7.18 C ATOM 1065 CG LEU A 67 3.042 -1.823 2.673 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.681 -1.506 1.249 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.089 -0.872 3.237 1.00 11.66 C ATOM 0 H LEU A 67 2.433 -4.239 4.672 1.00 4.17 H new ATOM 0 HA LEU A 67 2.477 -1.453 5.549 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.031 -2.521 3.098 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.307 -0.847 3.538 1.00 7.18 H new ATOM 0 HG LEU A 67 3.496 -2.814 2.687 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.584 -1.494 0.639 1.00 8.12 H new ATOM 0 HD12 LEU A 67 1.997 -2.265 0.869 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.200 -0.529 1.204 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.972 -0.883 2.598 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.681 0.138 3.275 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.365 -1.190 4.243 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.145 -1.575 6.120 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.517 -1.690 6.528 1.00 4.17 C ATOM 1081 C HIS A 68 -2.454 -0.970 5.490 1.00 5.32 C ATOM 1082 O HIS A 68 -2.178 0.153 5.075 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.736 -0.996 7.866 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.981 -1.638 9.016 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.294 -1.200 9.220 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.265 -2.705 9.877 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.759 -1.988 10.188 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.142 -2.898 10.593 1.00 16.30 N ATOM 0 H HIS A 68 0.251 -0.645 6.254 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.748 -2.753 6.598 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.430 0.047 7.779 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.801 -0.998 8.096 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.190 -3.257 9.951 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.753 -1.904 10.602 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.001 -3.607 11.313 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.509 -1.686 5.017 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.444 -1.157 4.074 1.00 3.97 C ATOM 1098 C LEU A 69 -5.685 -0.714 4.853 1.00 5.07 C ATOM 1099 O LEU A 69 -6.353 -1.491 5.499 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.846 -2.405 3.254 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.089 -2.181 2.367 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.014 -0.863 1.558 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.190 -3.350 1.378 1.00 9.96 C ATOM 0 H LEU A 69 -3.707 -2.646 5.300 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.056 -0.330 3.479 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.008 -2.702 2.624 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.040 -3.232 3.937 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.959 -2.120 3.021 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.914 -0.756 0.952 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.936 -0.019 2.244 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.139 -0.884 0.908 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.063 -3.212 0.740 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.292 -3.384 0.762 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.287 -4.285 1.929 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.062 0.607 4.720 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.306 1.147 5.342 1.00 6.26 C ATOM 1117 C VAL A 70 -8.296 1.406 4.262 1.00 9.22 C ATOM 1118 O VAL A 70 -7.924 1.906 3.164 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.021 2.436 6.133 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.234 2.983 6.841 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.007 2.097 7.196 1.00 8.54 C ATOM 0 H VAL A 70 -5.525 1.297 4.195 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.703 0.418 6.048 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.680 3.188 5.422 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.963 3.891 7.379 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.009 3.212 6.110 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.608 2.242 7.547 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.779 2.989 7.779 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.412 1.328 7.853 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.096 1.729 6.725 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.593 1.091 4.477 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.675 1.585 3.696 1.00 16.06 C ATOM 1133 C LEU A 71 -10.901 3.119 3.692 1.00 18.09 C ATOM 1134 O LEU A 71 -11.060 3.808 4.694 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.002 1.009 4.192 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.288 1.379 3.423 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.051 0.955 1.944 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.523 0.666 3.928 1.00 19.57 C ATOM 0 H LEU A 71 -9.891 0.467 5.227 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.383 1.279 2.692 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.915 -0.077 4.192 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.133 1.318 5.229 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.471 2.446 3.551 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.934 1.195 1.351 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.190 1.491 1.545 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.864 -0.118 1.899 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.387 0.975 3.341 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.386 -0.411 3.832 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.687 0.919 4.975 1.00 19.57 H new