USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 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 LYS NZ :NH3+ -164:sc= 0.43 (180deg=0) USER MOD Set 1.2: A 77 THR OG1 : rot -170:sc= -0.652 USER MOD Set 2.1: A 30 SER OG : rot -115:sc= 0.203 USER MOD Set 2.2: A 32 TYR OH : rot 130:sc= 0.582 USER MOD Set 2.3: A 53 LYS NZ :NH3+ -163:sc= 0.515 (180deg=-0.0968) USER MOD Set 3.1: A 15 SER OG : rot -54:sc= -1.79! USER MOD Set 3.2: A 34 THR OG1 : rot -34:sc= 0.0745 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.883 (180deg=0.719) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.73! C(o=-3.7!,f=-5.8!) USER MOD Single : A 23 GLN : amide:sc= -1.28! C(o=-1.3!,f=-8.3!) USER MOD Single : A 24 HIS : no HD1:sc= -8.62! C(o=-8.6!,f=-8.2!) USER MOD Single : A 29 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.052) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.0564 K(o=0.056,f=-1.2) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.33) USER MOD Single : A 58 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 25:sc= 0.224 USER MOD Single : A 66 THR OG1 : rot 91:sc= 0.0566 USER MOD Single : A 67 HIS : no HE2:sc= -6.27! C(o=-6.3!,f=-5.6!) USER MOD Single : A 72 THR OG1 : rot 75:sc= 1.09 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.26) USER MOD Single : A 78 SER OG : rot -95:sc= 0.174 USER MOD Single : A 82 TYR OH : rot 22:sc=-0.00515 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= -0.0559 (180deg=-0.0559) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 304 THR OG1 : rot 38:sc= 0.0232 USER MOD Single : B 305 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.549 -0.071 -7.559 1.00 1.83 N ATOM 2 CA MET A 1 -8.463 1.416 -7.551 1.00 1.38 C ATOM 3 C MET A 1 -7.010 1.890 -7.507 1.00 1.20 C ATOM 4 O MET A 1 -6.148 1.226 -6.932 1.00 1.07 O ATOM 5 CB MET A 1 -9.228 1.949 -6.335 1.00 1.81 C ATOM 6 CG MET A 1 -10.729 2.062 -6.559 1.00 2.04 C ATOM 7 SD MET A 1 -11.166 3.403 -7.683 1.00 2.69 S ATOM 8 CE MET A 1 -12.803 2.892 -8.199 1.00 3.17 C ATOM 0 H1 MET A 1 -9.517 -0.364 -7.318 1.00 1.83 H new ATOM 0 H2 MET A 1 -8.305 -0.428 -8.505 1.00 1.83 H new ATOM 0 H3 MET A 1 -7.885 -0.461 -6.860 1.00 1.83 H new ATOM 0 HA MET A 1 -8.906 1.799 -8.470 1.00 1.38 H new ATOM 0 HB2 MET A 1 -9.045 1.292 -5.485 1.00 1.81 H new ATOM 0 HB3 MET A 1 -8.834 2.930 -6.070 1.00 1.81 H new ATOM 0 HG2 MET A 1 -11.104 1.120 -6.960 1.00 2.04 H new ATOM 0 HG3 MET A 1 -11.224 2.220 -5.601 1.00 2.04 H new ATOM 0 HE1 MET A 1 -13.208 3.623 -8.899 1.00 3.17 H new ATOM 0 HE2 MET A 1 -12.744 1.918 -8.685 1.00 3.17 H new ATOM 0 HE3 MET A 1 -13.454 2.824 -7.328 1.00 3.17 H new ATOM 20 N GLU A 2 -6.752 3.044 -8.120 1.00 1.25 N ATOM 21 CA GLU A 2 -5.407 3.618 -8.158 1.00 1.15 C ATOM 22 C GLU A 2 -5.412 5.059 -7.652 1.00 1.12 C ATOM 23 O GLU A 2 -6.453 5.721 -7.648 1.00 1.17 O ATOM 24 CB GLU A 2 -4.841 3.564 -9.582 1.00 1.22 C ATOM 25 CG GLU A 2 -5.692 4.292 -10.612 1.00 1.74 C ATOM 26 CD GLU A 2 -6.500 3.344 -11.479 1.00 1.63 C ATOM 27 OE1 GLU A 2 -7.577 2.899 -11.029 1.00 1.97 O ATOM 28 OE2 GLU A 2 -6.054 3.045 -12.607 1.00 1.88 O ATOM 0 H GLU A 2 -7.459 3.602 -8.599 1.00 1.25 H new ATOM 0 HA GLU A 2 -4.771 3.025 -7.501 1.00 1.15 H new ATOM 0 HB2 GLU A 2 -3.840 3.996 -9.581 1.00 1.22 H new ATOM 0 HB3 GLU A 2 -4.738 2.521 -9.882 1.00 1.22 H new ATOM 0 HG2 GLU A 2 -6.369 4.976 -10.100 1.00 1.74 H new ATOM 0 HG3 GLU A 2 -5.047 4.898 -11.247 1.00 1.74 H new ATOM 35 N ILE A 3 -4.241 5.545 -7.236 1.00 1.09 N ATOM 36 CA ILE A 3 -4.095 6.907 -6.737 1.00 1.10 C ATOM 37 C ILE A 3 -2.777 7.501 -7.237 1.00 1.02 C ATOM 38 O ILE A 3 -1.763 6.798 -7.300 1.00 1.07 O ATOM 39 CB ILE A 3 -4.119 6.945 -5.191 1.00 1.18 C ATOM 40 CG1 ILE A 3 -5.474 6.466 -4.659 1.00 1.34 C ATOM 41 CG2 ILE A 3 -3.812 8.346 -4.685 1.00 1.22 C ATOM 42 CD1 ILE A 3 -5.497 4.996 -4.293 1.00 1.10 C ATOM 0 H ILE A 3 -3.374 5.007 -7.237 1.00 1.09 H new ATOM 0 HA ILE A 3 -4.935 7.494 -7.109 1.00 1.10 H new ATOM 0 HB ILE A 3 -3.348 6.269 -4.821 1.00 1.18 H new ATOM 0 HG12 ILE A 3 -5.739 7.055 -3.781 1.00 1.34 H new ATOM 0 HG13 ILE A 3 -6.238 6.656 -5.412 1.00 1.34 H new ATOM 0 HG21 ILE A 3 -3.834 8.352 -3.595 1.00 1.22 H new ATOM 0 HG22 ILE A 3 -2.823 8.649 -5.030 1.00 1.22 H new ATOM 0 HG23 ILE A 3 -4.559 9.042 -5.067 1.00 1.22 H new ATOM 0 HD11 ILE A 3 -6.487 4.728 -3.924 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -5.264 4.398 -5.174 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -4.756 4.803 -3.517 1.00 1.10 H new ATOM 54 N LYS A 4 -2.787 8.788 -7.591 1.00 0.98 N ATOM 55 CA LYS A 4 -1.577 9.444 -8.082 1.00 0.96 C ATOM 56 C LYS A 4 -0.884 10.219 -6.960 1.00 0.96 C ATOM 57 O LYS A 4 -1.207 11.379 -6.693 1.00 1.08 O ATOM 58 CB LYS A 4 -1.917 10.381 -9.247 1.00 1.07 C ATOM 59 CG LYS A 4 -0.921 10.313 -10.396 1.00 1.35 C ATOM 60 CD LYS A 4 -1.475 9.526 -11.573 1.00 1.59 C ATOM 61 CE LYS A 4 -0.372 9.125 -12.543 1.00 2.29 C ATOM 62 NZ LYS A 4 -0.813 9.229 -13.962 1.00 2.93 N ATOM 0 H LYS A 4 -3.610 9.389 -7.547 1.00 0.98 H new ATOM 0 HA LYS A 4 -0.891 8.675 -8.438 1.00 0.96 H new ATOM 0 HB2 LYS A 4 -2.910 10.134 -9.623 1.00 1.07 H new ATOM 0 HB3 LYS A 4 -1.962 11.405 -8.877 1.00 1.07 H new ATOM 0 HG2 LYS A 4 -0.669 11.323 -10.720 1.00 1.35 H new ATOM 0 HG3 LYS A 4 0.003 9.849 -10.050 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -1.983 8.633 -11.209 1.00 1.59 H new ATOM 0 HD3 LYS A 4 -2.220 10.126 -12.095 1.00 1.59 H new ATOM 0 HE2 LYS A 4 0.498 9.762 -12.386 1.00 2.29 H new ATOM 0 HE3 LYS A 4 -0.060 8.102 -12.334 1.00 2.29 H new ATOM 0 HZ1 LYS A 4 -0.033 8.947 -14.589 1.00 2.93 H new ATOM 0 HZ2 LYS A 4 -1.628 8.602 -14.119 1.00 2.93 H new ATOM 0 HZ3 LYS A 4 -1.087 10.211 -14.169 1.00 2.93 H new ATOM 76 N LEU A 5 0.045 9.544 -6.285 1.00 0.89 N ATOM 77 CA LEU A 5 0.764 10.139 -5.161 1.00 0.97 C ATOM 78 C LEU A 5 2.018 10.885 -5.618 1.00 0.88 C ATOM 79 O LEU A 5 2.875 10.328 -6.305 1.00 0.82 O ATOM 80 CB LEU A 5 1.138 9.059 -4.139 1.00 1.11 C ATOM 81 CG LEU A 5 -0.004 8.610 -3.219 1.00 1.42 C ATOM 82 CD1 LEU A 5 0.410 7.392 -2.407 1.00 1.50 C ATOM 83 CD2 LEU A 5 -0.430 9.746 -2.298 1.00 2.09 C ATOM 0 H LEU A 5 0.317 8.584 -6.497 1.00 0.89 H new ATOM 0 HA LEU A 5 0.099 10.865 -4.694 1.00 0.97 H new ATOM 0 HB2 LEU A 5 1.515 8.188 -4.675 1.00 1.11 H new ATOM 0 HB3 LEU A 5 1.955 9.432 -3.522 1.00 1.11 H new ATOM 0 HG LEU A 5 -0.856 8.335 -3.841 1.00 1.42 H new ATOM 0 HD11 LEU A 5 -0.413 7.089 -1.761 1.00 1.50 H new ATOM 0 HD12 LEU A 5 0.662 6.574 -3.081 1.00 1.50 H new ATOM 0 HD13 LEU A 5 1.278 7.640 -1.796 1.00 1.50 H new ATOM 0 HD21 LEU A 5 -1.241 9.407 -1.653 1.00 2.09 H new ATOM 0 HD22 LEU A 5 0.417 10.054 -1.684 1.00 2.09 H new ATOM 0 HD23 LEU A 5 -0.771 10.591 -2.896 1.00 2.09 H new ATOM 95 N ILE A 6 2.095 12.163 -5.234 1.00 0.95 N ATOM 96 CA ILE A 6 3.219 13.024 -5.601 1.00 0.90 C ATOM 97 C ILE A 6 4.339 12.891 -4.566 1.00 0.93 C ATOM 98 O ILE A 6 4.151 13.228 -3.394 1.00 1.06 O ATOM 99 CB ILE A 6 2.769 14.516 -5.682 1.00 1.04 C ATOM 100 CG1 ILE A 6 2.106 14.803 -7.029 1.00 1.29 C ATOM 101 CG2 ILE A 6 3.930 15.491 -5.447 1.00 1.21 C ATOM 102 CD1 ILE A 6 0.627 14.476 -7.060 1.00 1.94 C ATOM 0 H ILE A 6 1.386 12.625 -4.665 1.00 0.95 H new ATOM 0 HA ILE A 6 3.583 12.710 -6.580 1.00 0.90 H new ATOM 0 HB ILE A 6 2.046 14.673 -4.882 1.00 1.04 H new ATOM 0 HG12 ILE A 6 2.242 15.856 -7.274 1.00 1.29 H new ATOM 0 HG13 ILE A 6 2.613 14.228 -7.804 1.00 1.29 H new ATOM 0 HG21 ILE A 6 3.564 16.516 -5.514 1.00 1.21 H new ATOM 0 HG22 ILE A 6 4.353 15.321 -4.457 1.00 1.21 H new ATOM 0 HG23 ILE A 6 4.699 15.330 -6.203 1.00 1.21 H new ATOM 0 HD11 ILE A 6 0.224 14.705 -8.047 1.00 1.94 H new ATOM 0 HD12 ILE A 6 0.484 13.417 -6.847 1.00 1.94 H new ATOM 0 HD13 ILE A 6 0.107 15.071 -6.309 1.00 1.94 H new ATOM 114 N LYS A 7 5.496 12.381 -4.998 1.00 0.91 N ATOM 115 CA LYS A 7 6.634 12.189 -4.097 1.00 1.06 C ATOM 116 C LYS A 7 7.124 13.516 -3.516 1.00 1.18 C ATOM 117 O LYS A 7 7.582 14.397 -4.249 1.00 1.29 O ATOM 118 CB LYS A 7 7.785 11.480 -4.815 1.00 1.26 C ATOM 119 CG LYS A 7 8.966 11.166 -3.907 1.00 1.78 C ATOM 120 CD LYS A 7 8.663 10.004 -2.975 1.00 2.30 C ATOM 121 CE LYS A 7 9.570 10.014 -1.754 1.00 2.50 C ATOM 122 NZ LYS A 7 10.783 9.171 -1.951 1.00 3.10 N ATOM 0 H LYS A 7 5.668 12.095 -5.962 1.00 0.91 H new ATOM 0 HA LYS A 7 6.289 11.563 -3.274 1.00 1.06 H new ATOM 0 HB2 LYS A 7 7.414 10.552 -5.250 1.00 1.26 H new ATOM 0 HB3 LYS A 7 8.127 12.104 -5.640 1.00 1.26 H new ATOM 0 HG2 LYS A 7 9.839 10.928 -4.514 1.00 1.78 H new ATOM 0 HG3 LYS A 7 9.218 12.048 -3.319 1.00 1.78 H new ATOM 0 HD2 LYS A 7 7.622 10.055 -2.656 1.00 2.30 H new ATOM 0 HD3 LYS A 7 8.786 9.064 -3.513 1.00 2.30 H new ATOM 0 HE2 LYS A 7 9.872 11.038 -1.536 1.00 2.50 H new ATOM 0 HE3 LYS A 7 9.015 9.654 -0.888 1.00 2.50 H new ATOM 0 HZ1 LYS A 7 11.229 8.984 -1.030 1.00 3.10 H new ATOM 0 HZ2 LYS A 7 10.511 8.270 -2.394 1.00 3.10 H new ATOM 0 HZ3 LYS A 7 11.456 9.670 -2.567 1.00 3.10 H new ATOM 136 N GLY A 8 7.028 13.639 -2.193 1.00 1.38 N ATOM 137 CA GLY A 8 7.467 14.847 -1.514 1.00 1.62 C ATOM 138 C GLY A 8 8.705 14.618 -0.661 1.00 1.78 C ATOM 139 O GLY A 8 9.140 13.476 -0.493 1.00 1.78 O ATOM 0 H GLY A 8 6.652 12.919 -1.577 1.00 1.38 H new ATOM 0 HA2 GLY A 8 7.677 15.620 -2.254 1.00 1.62 H new ATOM 0 HA3 GLY A 8 6.659 15.220 -0.884 1.00 1.62 H new ATOM 143 N PRO A 9 9.295 15.693 -0.101 1.00 2.05 N ATOM 144 CA PRO A 9 10.495 15.595 0.747 1.00 2.32 C ATOM 145 C PRO A 9 10.308 14.625 1.915 1.00 2.37 C ATOM 146 O PRO A 9 11.239 13.911 2.294 1.00 2.77 O ATOM 147 CB PRO A 9 10.687 17.024 1.266 1.00 2.68 C ATOM 148 CG PRO A 9 10.007 17.887 0.260 1.00 2.59 C ATOM 149 CD PRO A 9 8.840 17.089 -0.248 1.00 2.24 C ATOM 0 HA PRO A 9 11.351 15.210 0.192 1.00 2.32 H new ATOM 0 HB2 PRO A 9 10.248 17.148 2.256 1.00 2.68 H new ATOM 0 HB3 PRO A 9 11.744 17.275 1.353 1.00 2.68 H new ATOM 0 HG2 PRO A 9 9.674 18.822 0.710 1.00 2.59 H new ATOM 0 HG3 PRO A 9 10.685 18.148 -0.553 1.00 2.59 H new ATOM 0 HD2 PRO A 9 7.938 17.281 0.332 1.00 2.24 H new ATOM 0 HD3 PRO A 9 8.609 17.330 -1.286 1.00 2.24 H new ATOM 157 N LYS A 10 9.096 14.603 2.477 1.00 2.38 N ATOM 158 CA LYS A 10 8.780 13.719 3.597 1.00 2.57 C ATOM 159 C LYS A 10 8.857 12.253 3.166 1.00 2.26 C ATOM 160 O LYS A 10 9.750 11.521 3.594 1.00 2.45 O ATOM 161 CB LYS A 10 7.386 14.032 4.156 1.00 2.99 C ATOM 162 CG LYS A 10 7.234 15.460 4.662 1.00 3.71 C ATOM 163 CD LYS A 10 6.916 15.498 6.148 1.00 4.04 C ATOM 164 CE LYS A 10 8.179 15.608 6.989 1.00 4.40 C ATOM 165 NZ LYS A 10 7.964 16.426 8.216 1.00 4.92 N ATOM 0 H LYS A 10 8.318 15.189 2.173 1.00 2.38 H new ATOM 0 HA LYS A 10 9.517 13.890 4.382 1.00 2.57 H new ATOM 0 HB2 LYS A 10 6.644 13.851 3.379 1.00 2.99 H new ATOM 0 HB3 LYS A 10 7.168 13.342 4.971 1.00 2.99 H new ATOM 0 HG2 LYS A 10 8.154 16.013 4.472 1.00 3.71 H new ATOM 0 HG3 LYS A 10 6.441 15.960 4.107 1.00 3.71 H new ATOM 0 HD2 LYS A 10 6.263 16.345 6.359 1.00 4.04 H new ATOM 0 HD3 LYS A 10 6.370 14.597 6.427 1.00 4.04 H new ATOM 0 HE2 LYS A 10 8.514 14.610 7.273 1.00 4.40 H new ATOM 0 HE3 LYS A 10 8.975 16.053 6.392 1.00 4.40 H new ATOM 0 HZ1 LYS A 10 8.849 16.475 8.760 1.00 4.92 H new ATOM 0 HZ2 LYS A 10 7.670 17.386 7.946 1.00 4.92 H new ATOM 0 HZ3 LYS A 10 7.223 15.988 8.800 1.00 4.92 H new ATOM 179 N GLY A 11 7.915 11.834 2.317 1.00 2.10 N ATOM 180 CA GLY A 11 7.890 10.460 1.841 1.00 2.10 C ATOM 181 C GLY A 11 6.478 9.911 1.747 1.00 2.08 C ATOM 182 O GLY A 11 5.592 10.563 1.191 1.00 2.30 O ATOM 0 H GLY A 11 7.168 12.425 1.951 1.00 2.10 H new ATOM 0 HA2 GLY A 11 8.364 10.408 0.861 1.00 2.10 H new ATOM 0 HA3 GLY A 11 8.477 9.834 2.513 1.00 2.10 H new ATOM 186 N LEU A 12 6.264 8.720 2.303 1.00 2.47 N ATOM 187 CA LEU A 12 4.944 8.092 2.292 1.00 2.77 C ATOM 188 C LEU A 12 4.131 8.555 3.499 1.00 1.92 C ATOM 189 O LEU A 12 3.004 9.024 3.354 1.00 2.52 O ATOM 190 CB LEU A 12 5.079 6.567 2.290 1.00 3.62 C ATOM 191 CG LEU A 12 5.805 5.986 1.074 1.00 4.87 C ATOM 192 CD1 LEU A 12 6.365 4.611 1.395 1.00 5.33 C ATOM 193 CD2 LEU A 12 4.869 5.917 -0.125 1.00 5.70 C ATOM 0 H LEU A 12 6.987 8.170 2.767 1.00 2.47 H new ATOM 0 HA LEU A 12 4.421 8.392 1.384 1.00 2.77 H new ATOM 0 HB2 LEU A 12 5.610 6.263 3.192 1.00 3.62 H new ATOM 0 HB3 LEU A 12 4.083 6.128 2.344 1.00 3.62 H new ATOM 0 HG LEU A 12 6.636 6.645 0.822 1.00 4.87 H new ATOM 0 HD11 LEU A 12 6.878 4.213 0.519 1.00 5.33 H new ATOM 0 HD12 LEU A 12 7.069 4.689 2.223 1.00 5.33 H new ATOM 0 HD13 LEU A 12 5.550 3.942 1.673 1.00 5.33 H new ATOM 0 HD21 LEU A 12 5.403 5.501 -0.980 1.00 5.70 H new ATOM 0 HD22 LEU A 12 4.017 5.281 0.115 1.00 5.70 H new ATOM 0 HD23 LEU A 12 4.516 6.919 -0.370 1.00 5.70 H new ATOM 205 N GLY A 13 4.718 8.422 4.690 1.00 1.13 N ATOM 206 CA GLY A 13 4.049 8.840 5.910 1.00 1.11 C ATOM 207 C GLY A 13 3.054 7.824 6.438 1.00 0.96 C ATOM 208 O GLY A 13 2.015 8.202 6.975 1.00 1.03 O ATOM 0 H GLY A 13 5.649 8.030 4.829 1.00 1.13 H new ATOM 0 HA2 GLY A 13 4.799 9.034 6.677 1.00 1.11 H new ATOM 0 HA3 GLY A 13 3.531 9.781 5.726 1.00 1.11 H new ATOM 212 N PHE A 14 3.367 6.537 6.292 1.00 0.81 N ATOM 213 CA PHE A 14 2.489 5.471 6.775 1.00 0.71 C ATOM 214 C PHE A 14 3.264 4.161 6.930 1.00 0.56 C ATOM 215 O PHE A 14 4.482 4.130 6.745 1.00 0.52 O ATOM 216 CB PHE A 14 1.270 5.294 5.852 1.00 0.74 C ATOM 217 CG PHE A 14 1.598 4.970 4.419 1.00 0.63 C ATOM 218 CD1 PHE A 14 2.014 3.699 4.058 1.00 1.27 C ATOM 219 CD2 PHE A 14 1.469 5.935 3.432 1.00 1.41 C ATOM 220 CE1 PHE A 14 2.298 3.397 2.741 1.00 1.33 C ATOM 221 CE2 PHE A 14 1.749 5.638 2.113 1.00 1.46 C ATOM 222 CZ PHE A 14 2.166 4.367 1.767 1.00 0.83 C ATOM 0 H PHE A 14 4.222 6.207 5.843 1.00 0.81 H new ATOM 0 HA PHE A 14 2.116 5.759 7.758 1.00 0.71 H new ATOM 0 HB2 PHE A 14 0.642 4.499 6.254 1.00 0.74 H new ATOM 0 HB3 PHE A 14 0.679 6.210 5.876 1.00 0.74 H new ATOM 0 HD1 PHE A 14 2.117 2.936 4.815 1.00 1.27 H new ATOM 0 HD2 PHE A 14 1.146 6.931 3.698 1.00 1.41 H new ATOM 0 HE1 PHE A 14 2.623 2.403 2.473 1.00 1.33 H new ATOM 0 HE2 PHE A 14 1.642 6.398 1.353 1.00 1.46 H new ATOM 0 HZ PHE A 14 2.388 4.133 0.736 1.00 0.83 H new ATOM 232 N SER A 15 2.557 3.078 7.258 1.00 0.55 N ATOM 233 CA SER A 15 3.177 1.770 7.423 1.00 0.47 C ATOM 234 C SER A 15 2.412 0.726 6.617 1.00 0.47 C ATOM 235 O SER A 15 1.336 1.013 6.085 1.00 0.52 O ATOM 236 CB SER A 15 3.210 1.364 8.899 1.00 0.50 C ATOM 237 OG SER A 15 2.104 1.888 9.601 1.00 0.57 O ATOM 0 H SER A 15 1.549 3.086 7.415 1.00 0.55 H new ATOM 0 HA SER A 15 4.202 1.829 7.058 1.00 0.47 H new ATOM 0 HB2 SER A 15 3.212 0.277 8.979 1.00 0.50 H new ATOM 0 HB3 SER A 15 4.134 1.719 9.355 1.00 0.50 H new ATOM 0 HG SER A 15 2.059 2.857 9.464 1.00 0.57 H new ATOM 243 N ILE A 16 2.958 -0.483 6.532 1.00 0.44 N ATOM 244 CA ILE A 16 2.312 -1.564 5.790 1.00 0.46 C ATOM 245 C ILE A 16 2.747 -2.933 6.306 1.00 0.46 C ATOM 246 O ILE A 16 3.710 -3.050 7.060 1.00 0.45 O ATOM 247 CB ILE A 16 2.633 -1.508 4.269 1.00 0.47 C ATOM 248 CG1 ILE A 16 4.011 -2.114 3.957 1.00 0.67 C ATOM 249 CG2 ILE A 16 2.530 -0.087 3.727 1.00 0.57 C ATOM 250 CD1 ILE A 16 5.167 -1.194 4.250 1.00 0.64 C ATOM 0 H ILE A 16 3.844 -0.740 6.966 1.00 0.44 H new ATOM 0 HA ILE A 16 1.242 -1.425 5.942 1.00 0.46 H new ATOM 0 HB ILE A 16 1.882 -2.114 3.763 1.00 0.47 H new ATOM 0 HG12 ILE A 16 4.133 -3.029 4.536 1.00 0.67 H new ATOM 0 HG13 ILE A 16 4.042 -2.396 2.905 1.00 0.67 H new ATOM 0 HG21 ILE A 16 2.761 -0.086 2.662 1.00 0.57 H new ATOM 0 HG22 ILE A 16 1.518 0.288 3.879 1.00 0.57 H new ATOM 0 HG23 ILE A 16 3.238 0.555 4.252 1.00 0.57 H new ATOM 0 HD11 ILE A 16 6.103 -1.696 4.003 1.00 0.64 H new ATOM 0 HD12 ILE A 16 5.072 -0.288 3.651 1.00 0.64 H new ATOM 0 HD13 ILE A 16 5.164 -0.932 5.308 1.00 0.64 H new ATOM 262 N ALA A 17 2.038 -3.956 5.845 1.00 0.51 N ATOM 263 CA ALA A 17 2.321 -5.349 6.172 1.00 0.55 C ATOM 264 C ALA A 17 2.234 -6.141 4.869 1.00 0.73 C ATOM 265 O ALA A 17 1.673 -5.636 3.905 1.00 1.19 O ATOM 266 CB ALA A 17 1.346 -5.867 7.216 1.00 0.71 C ATOM 0 H ALA A 17 1.238 -3.840 5.224 1.00 0.51 H new ATOM 0 HA ALA A 17 3.315 -5.455 6.607 1.00 0.55 H new ATOM 0 HB1 ALA A 17 1.576 -6.908 7.444 1.00 0.71 H new ATOM 0 HB2 ALA A 17 1.432 -5.269 8.123 1.00 0.71 H new ATOM 0 HB3 ALA A 17 0.329 -5.797 6.831 1.00 0.71 H new ATOM 272 N GLY A 18 2.755 -7.364 4.807 1.00 0.60 N ATOM 273 CA GLY A 18 2.626 -8.093 3.552 1.00 0.77 C ATOM 274 C GLY A 18 3.512 -9.310 3.397 1.00 0.85 C ATOM 275 O GLY A 18 4.706 -9.226 3.656 1.00 1.29 O ATOM 0 H GLY A 18 3.242 -7.847 5.562 1.00 0.60 H new ATOM 0 HA2 GLY A 18 1.588 -8.408 3.443 1.00 0.77 H new ATOM 0 HA3 GLY A 18 2.839 -7.407 2.733 1.00 0.77 H new ATOM 279 N GLY A 19 2.951 -10.434 2.939 1.00 1.01 N ATOM 280 CA GLY A 19 3.758 -11.625 2.724 1.00 1.61 C ATOM 281 C GLY A 19 3.564 -12.681 3.786 1.00 0.89 C ATOM 282 O GLY A 19 3.086 -12.385 4.877 1.00 0.76 O ATOM 0 H GLY A 19 1.961 -10.538 2.716 1.00 1.01 H new ATOM 0 HA2 GLY A 19 3.513 -12.050 1.751 1.00 1.61 H new ATOM 0 HA3 GLY A 19 4.810 -11.341 2.692 1.00 1.61 H new ATOM 286 N VAL A 20 3.937 -13.919 3.459 1.00 0.97 N ATOM 287 CA VAL A 20 3.808 -15.031 4.397 1.00 1.05 C ATOM 288 C VAL A 20 4.726 -14.820 5.607 1.00 1.18 C ATOM 289 O VAL A 20 5.854 -14.339 5.462 1.00 1.35 O ATOM 290 CB VAL A 20 4.135 -16.385 3.725 1.00 1.68 C ATOM 291 CG1 VAL A 20 5.607 -16.466 3.342 1.00 1.76 C ATOM 292 CG2 VAL A 20 3.749 -17.544 4.634 1.00 2.72 C ATOM 0 H VAL A 20 4.330 -14.175 2.553 1.00 0.97 H new ATOM 0 HA VAL A 20 2.770 -15.058 4.729 1.00 1.05 H new ATOM 0 HB VAL A 20 3.547 -16.457 2.810 1.00 1.68 H new ATOM 0 HG11 VAL A 20 5.808 -17.429 2.872 1.00 1.76 H new ATOM 0 HG12 VAL A 20 5.846 -15.664 2.644 1.00 1.76 H new ATOM 0 HG13 VAL A 20 6.222 -16.364 4.236 1.00 1.76 H new ATOM 0 HG21 VAL A 20 3.987 -18.487 4.142 1.00 2.72 H new ATOM 0 HG22 VAL A 20 4.303 -17.473 5.570 1.00 2.72 H new ATOM 0 HG23 VAL A 20 2.680 -17.503 4.841 1.00 2.72 H new ATOM 302 N GLY A 21 4.233 -15.158 6.802 1.00 1.30 N ATOM 303 CA GLY A 21 5.018 -14.973 8.017 1.00 1.54 C ATOM 304 C GLY A 21 4.914 -13.555 8.575 1.00 1.24 C ATOM 305 O GLY A 21 5.227 -13.314 9.742 1.00 1.56 O ATOM 0 H GLY A 21 3.305 -15.556 6.950 1.00 1.30 H new ATOM 0 HA2 GLY A 21 4.682 -15.682 8.773 1.00 1.54 H new ATOM 0 HA3 GLY A 21 6.063 -15.201 7.808 1.00 1.54 H new ATOM 309 N ASN A 22 4.466 -12.623 7.731 1.00 0.73 N ATOM 310 CA ASN A 22 4.299 -11.220 8.107 1.00 0.61 C ATOM 311 C ASN A 22 2.967 -10.664 7.570 1.00 0.65 C ATOM 312 O ASN A 22 2.822 -9.451 7.397 1.00 0.67 O ATOM 313 CB ASN A 22 5.474 -10.375 7.571 1.00 0.47 C ATOM 314 CG ASN A 22 6.074 -10.928 6.289 1.00 0.74 C ATOM 315 OD1 ASN A 22 5.377 -11.123 5.299 1.00 1.27 O ATOM 316 ND2 ASN A 22 7.377 -11.186 6.305 1.00 1.63 N ATOM 0 H ASN A 22 4.208 -12.822 6.764 1.00 0.73 H new ATOM 0 HA ASN A 22 4.287 -11.162 9.195 1.00 0.61 H new ATOM 0 HB2 ASN A 22 5.129 -9.356 7.393 1.00 0.47 H new ATOM 0 HB3 ASN A 22 6.251 -10.320 8.334 1.00 0.47 H new ATOM 0 HD21 ASN A 22 7.833 -11.560 5.473 1.00 1.63 H new ATOM 0 HD22 ASN A 22 7.921 -11.010 7.149 1.00 1.63 H new ATOM 323 N GLN A 23 2.005 -11.557 7.281 1.00 0.77 N ATOM 324 CA GLN A 23 0.700 -11.161 6.734 1.00 0.94 C ATOM 325 C GLN A 23 -0.045 -10.168 7.624 1.00 0.88 C ATOM 326 O GLN A 23 -0.016 -10.267 8.851 1.00 0.87 O ATOM 327 CB GLN A 23 -0.202 -12.387 6.536 1.00 1.19 C ATOM 328 CG GLN A 23 0.335 -13.416 5.555 1.00 1.42 C ATOM 329 CD GLN A 23 0.898 -14.644 6.249 1.00 1.55 C ATOM 330 OE1 GLN A 23 1.558 -14.538 7.283 1.00 1.62 O ATOM 331 NE2 GLN A 23 0.638 -15.819 5.686 1.00 2.34 N ATOM 0 H GLN A 23 2.110 -12.562 7.419 1.00 0.77 H new ATOM 0 HA GLN A 23 0.916 -10.678 5.781 1.00 0.94 H new ATOM 0 HB2 GLN A 23 -0.354 -12.870 7.501 1.00 1.19 H new ATOM 0 HB3 GLN A 23 -1.179 -12.050 6.190 1.00 1.19 H new ATOM 0 HG2 GLN A 23 -0.464 -13.719 4.878 1.00 1.42 H new ATOM 0 HG3 GLN A 23 1.114 -12.959 4.944 1.00 1.42 H new ATOM 0 HE21 GLN A 23 0.087 -15.863 4.829 1.00 2.34 H new ATOM 0 HE22 GLN A 23 0.989 -16.677 6.111 1.00 2.34 H new ATOM 340 N HIS A 24 -0.739 -9.231 6.979 1.00 0.86 N ATOM 341 CA HIS A 24 -1.535 -8.225 7.681 1.00 0.83 C ATOM 342 C HIS A 24 -2.971 -8.711 7.876 1.00 0.84 C ATOM 343 O HIS A 24 -3.639 -8.336 8.841 1.00 0.92 O ATOM 344 CB HIS A 24 -1.561 -6.917 6.890 1.00 0.85 C ATOM 345 CG HIS A 24 -2.187 -5.789 7.629 1.00 0.83 C ATOM 346 ND1 HIS A 24 -1.515 -5.028 8.552 1.00 0.90 N ATOM 347 CD2 HIS A 24 -3.436 -5.286 7.558 1.00 0.81 C ATOM 348 CE1 HIS A 24 -2.322 -4.101 9.018 1.00 0.88 C ATOM 349 NE2 HIS A 24 -3.497 -4.232 8.433 1.00 0.82 N ATOM 0 H HIS A 24 -0.766 -9.148 5.963 1.00 0.86 H new ATOM 0 HA HIS A 24 -1.074 -8.057 8.654 1.00 0.83 H new ATOM 0 HB2 HIS A 24 -0.540 -6.643 6.622 1.00 0.85 H new ATOM 0 HB3 HIS A 24 -2.104 -7.076 5.958 1.00 0.85 H new ATOM 0 HD2 HIS A 24 -4.238 -5.646 6.930 1.00 0.81 H new ATOM 0 HE1 HIS A 24 -2.066 -3.356 9.757 1.00 0.88 H new ATOM 0 HE2 HIS A 24 -4.315 -3.647 8.603 1.00 0.82 H new ATOM 358 N ILE A 25 -3.433 -9.549 6.947 1.00 0.80 N ATOM 359 CA ILE A 25 -4.785 -10.093 6.994 1.00 0.86 C ATOM 360 C ILE A 25 -4.777 -11.573 6.609 1.00 0.81 C ATOM 361 O ILE A 25 -4.249 -11.942 5.558 1.00 0.80 O ATOM 362 CB ILE A 25 -5.736 -9.318 6.052 1.00 0.95 C ATOM 363 CG1 ILE A 25 -5.626 -7.807 6.290 1.00 1.01 C ATOM 364 CG2 ILE A 25 -7.174 -9.777 6.244 1.00 1.51 C ATOM 365 CD1 ILE A 25 -6.206 -7.351 7.614 1.00 1.16 C ATOM 0 H ILE A 25 -2.884 -9.866 6.148 1.00 0.80 H new ATOM 0 HA ILE A 25 -5.149 -9.986 8.016 1.00 0.86 H new ATOM 0 HB ILE A 25 -5.438 -9.529 5.025 1.00 0.95 H new ATOM 0 HG12 ILE A 25 -4.576 -7.517 6.245 1.00 1.01 H new ATOM 0 HG13 ILE A 25 -6.136 -7.283 5.481 1.00 1.01 H new ATOM 0 HG21 ILE A 25 -7.827 -9.220 5.572 1.00 1.51 H new ATOM 0 HG22 ILE A 25 -7.249 -10.842 6.022 1.00 1.51 H new ATOM 0 HG23 ILE A 25 -7.478 -9.599 7.276 1.00 1.51 H new ATOM 0 HD11 ILE A 25 -6.091 -6.271 7.709 1.00 1.16 H new ATOM 0 HD12 ILE A 25 -7.264 -7.608 7.655 1.00 1.16 H new ATOM 0 HD13 ILE A 25 -5.680 -7.845 8.431 1.00 1.16 H new ATOM 377 N PRO A 26 -5.358 -12.445 7.461 1.00 0.82 N ATOM 378 CA PRO A 26 -5.407 -13.890 7.202 1.00 0.82 C ATOM 379 C PRO A 26 -6.117 -14.220 5.892 1.00 0.86 C ATOM 380 O PRO A 26 -7.254 -13.798 5.667 1.00 0.95 O ATOM 381 CB PRO A 26 -6.188 -14.455 8.397 1.00 0.88 C ATOM 382 CG PRO A 26 -6.886 -13.283 9.000 1.00 0.98 C ATOM 383 CD PRO A 26 -6.006 -12.096 8.735 1.00 0.87 C ATOM 0 HA PRO A 26 -4.408 -14.314 7.100 1.00 0.82 H new ATOM 0 HB2 PRO A 26 -6.900 -15.215 8.077 1.00 0.88 H new ATOM 0 HB3 PRO A 26 -5.519 -14.927 9.116 1.00 0.88 H new ATOM 0 HG2 PRO A 26 -7.872 -13.145 8.556 1.00 0.98 H new ATOM 0 HG3 PRO A 26 -7.036 -13.426 10.070 1.00 0.98 H new ATOM 0 HD2 PRO A 26 -6.583 -11.175 8.656 1.00 0.87 H new ATOM 0 HD3 PRO A 26 -5.277 -11.948 9.532 1.00 0.87 H new ATOM 391 N GLY A 27 -5.434 -14.975 5.031 1.00 0.85 N ATOM 392 CA GLY A 27 -6.007 -15.353 3.750 1.00 0.94 C ATOM 393 C GLY A 27 -5.378 -14.616 2.580 1.00 0.92 C ATOM 394 O GLY A 27 -5.085 -15.224 1.549 1.00 1.06 O ATOM 0 H GLY A 27 -4.493 -15.331 5.199 1.00 0.85 H new ATOM 0 HA2 GLY A 27 -5.884 -16.426 3.605 1.00 0.94 H new ATOM 0 HA3 GLY A 27 -7.079 -15.154 3.764 1.00 0.94 H new ATOM 398 N ASP A 28 -5.174 -13.304 2.733 1.00 0.80 N ATOM 399 CA ASP A 28 -4.583 -12.495 1.669 1.00 0.80 C ATOM 400 C ASP A 28 -3.187 -12.001 2.048 1.00 0.65 C ATOM 401 O ASP A 28 -3.024 -11.214 2.984 1.00 0.57 O ATOM 402 CB ASP A 28 -5.488 -11.303 1.336 1.00 0.91 C ATOM 403 CG ASP A 28 -5.954 -11.318 -0.109 1.00 1.08 C ATOM 404 OD1 ASP A 28 -5.098 -11.219 -1.015 1.00 1.68 O ATOM 405 OD2 ASP A 28 -7.178 -11.425 -0.335 1.00 1.48 O ATOM 0 H ASP A 28 -5.409 -12.784 3.579 1.00 0.80 H new ATOM 0 HA ASP A 28 -4.489 -13.130 0.788 1.00 0.80 H new ATOM 0 HB2 ASP A 28 -6.356 -11.314 1.995 1.00 0.91 H new ATOM 0 HB3 ASP A 28 -4.950 -10.376 1.532 1.00 0.91 H new ATOM 410 N ASN A 29 -2.184 -12.472 1.303 1.00 0.69 N ATOM 411 CA ASN A 29 -0.787 -12.090 1.540 1.00 0.63 C ATOM 412 C ASN A 29 -0.445 -10.740 0.884 1.00 0.59 C ATOM 413 O ASN A 29 0.729 -10.444 0.647 1.00 0.65 O ATOM 414 CB ASN A 29 0.162 -13.170 1.005 1.00 0.79 C ATOM 415 CG ASN A 29 -0.381 -14.578 1.184 1.00 1.36 C ATOM 416 OD1 ASN A 29 -0.878 -15.187 0.237 1.00 2.11 O ATOM 417 ND2 ASN A 29 -0.288 -15.100 2.401 1.00 1.98 N ATOM 0 H ASN A 29 -2.313 -13.121 0.527 1.00 0.69 H new ATOM 0 HA ASN A 29 -0.659 -11.989 2.618 1.00 0.63 H new ATOM 0 HB2 ASN A 29 0.348 -12.990 -0.054 1.00 0.79 H new ATOM 0 HB3 ASN A 29 1.121 -13.089 1.516 1.00 0.79 H new ATOM 0 HD21 ASN A 29 -0.636 -16.042 2.580 1.00 1.98 H new ATOM 0 HD22 ASN A 29 0.132 -14.559 3.157 1.00 1.98 H new ATOM 424 N SER A 30 -1.467 -9.922 0.598 1.00 0.56 N ATOM 425 CA SER A 30 -1.261 -8.611 -0.021 1.00 0.56 C ATOM 426 C SER A 30 -0.584 -7.647 0.951 1.00 0.55 C ATOM 427 O SER A 30 -0.292 -8.007 2.094 1.00 0.55 O ATOM 428 CB SER A 30 -2.592 -8.016 -0.506 1.00 0.60 C ATOM 429 OG SER A 30 -3.677 -8.899 -0.275 1.00 1.39 O ATOM 0 H SER A 30 -2.444 -10.148 0.786 1.00 0.56 H new ATOM 0 HA SER A 30 -0.608 -8.754 -0.882 1.00 0.56 H new ATOM 0 HB2 SER A 30 -2.776 -7.072 0.006 1.00 0.60 H new ATOM 0 HB3 SER A 30 -2.524 -7.793 -1.571 1.00 0.60 H new ATOM 0 HG SER A 30 -4.057 -9.182 -1.133 1.00 1.39 H new ATOM 435 N ILE A 31 -0.356 -6.411 0.500 1.00 0.55 N ATOM 436 CA ILE A 31 0.269 -5.407 1.355 1.00 0.55 C ATOM 437 C ILE A 31 -0.772 -4.411 1.878 1.00 0.57 C ATOM 438 O ILE A 31 -1.304 -3.595 1.129 1.00 0.65 O ATOM 439 CB ILE A 31 1.413 -4.647 0.636 1.00 0.53 C ATOM 440 CG1 ILE A 31 2.405 -5.611 -0.047 1.00 0.62 C ATOM 441 CG2 ILE A 31 2.146 -3.744 1.617 1.00 0.60 C ATOM 442 CD1 ILE A 31 2.447 -7.015 0.529 1.00 0.80 C ATOM 0 H ILE A 31 -0.592 -6.088 -0.438 1.00 0.55 H new ATOM 0 HA ILE A 31 0.708 -5.944 2.196 1.00 0.55 H new ATOM 0 HB ILE A 31 0.960 -4.036 -0.144 1.00 0.53 H new ATOM 0 HG12 ILE A 31 2.151 -5.678 -1.105 1.00 0.62 H new ATOM 0 HG13 ILE A 31 3.405 -5.181 0.014 1.00 0.62 H new ATOM 0 HG21 ILE A 31 2.946 -3.217 1.098 1.00 0.60 H new ATOM 0 HG22 ILE A 31 1.448 -3.020 2.037 1.00 0.60 H new ATOM 0 HG23 ILE A 31 2.570 -4.347 2.420 1.00 0.60 H new ATOM 0 HD11 ILE A 31 3.175 -7.612 -0.021 1.00 0.80 H new ATOM 0 HD12 ILE A 31 2.735 -6.969 1.579 1.00 0.80 H new ATOM 0 HD13 ILE A 31 1.462 -7.473 0.442 1.00 0.80 H new ATOM 454 N TYR A 32 -1.060 -4.504 3.177 1.00 0.60 N ATOM 455 CA TYR A 32 -2.041 -3.634 3.822 1.00 0.62 C ATOM 456 C TYR A 32 -1.375 -2.573 4.691 1.00 0.59 C ATOM 457 O TYR A 32 -0.349 -2.828 5.318 1.00 0.61 O ATOM 458 CB TYR A 32 -2.984 -4.461 4.694 1.00 0.69 C ATOM 459 CG TYR A 32 -3.872 -5.419 3.936 1.00 0.71 C ATOM 460 CD1 TYR A 32 -3.335 -6.473 3.209 1.00 1.28 C ATOM 461 CD2 TYR A 32 -5.252 -5.278 3.967 1.00 1.34 C ATOM 462 CE1 TYR A 32 -4.148 -7.357 2.530 1.00 1.30 C ATOM 463 CE2 TYR A 32 -6.074 -6.155 3.299 1.00 1.38 C ATOM 464 CZ TYR A 32 -5.519 -7.197 2.579 1.00 0.80 C ATOM 465 OH TYR A 32 -6.335 -8.080 1.911 1.00 0.86 O ATOM 0 H TYR A 32 -0.624 -5.178 3.806 1.00 0.60 H new ATOM 0 HA TYR A 32 -2.597 -3.134 3.029 1.00 0.62 H new ATOM 0 HB2 TYR A 32 -2.390 -5.028 5.410 1.00 0.69 H new ATOM 0 HB3 TYR A 32 -3.614 -3.782 5.269 1.00 0.69 H new ATOM 0 HD1 TYR A 32 -2.263 -6.603 3.174 1.00 1.28 H new ATOM 0 HD2 TYR A 32 -5.689 -4.464 4.526 1.00 1.34 H new ATOM 0 HE1 TYR A 32 -3.715 -8.169 1.964 1.00 1.30 H new ATOM 0 HE2 TYR A 32 -7.146 -6.031 3.336 1.00 1.38 H new ATOM 0 HH TYR A 32 -7.033 -8.403 2.518 1.00 0.86 H new ATOM 475 N VAL A 33 -1.991 -1.393 4.749 1.00 0.57 N ATOM 476 CA VAL A 33 -1.485 -0.294 5.569 1.00 0.55 C ATOM 477 C VAL A 33 -1.879 -0.512 7.032 1.00 0.59 C ATOM 478 O VAL A 33 -3.046 -0.774 7.335 1.00 0.65 O ATOM 479 CB VAL A 33 -2.010 1.072 5.077 1.00 0.59 C ATOM 480 CG1 VAL A 33 -1.724 2.171 6.093 1.00 0.62 C ATOM 481 CG2 VAL A 33 -1.397 1.415 3.725 1.00 0.56 C ATOM 0 H VAL A 33 -2.845 -1.174 4.236 1.00 0.57 H new ATOM 0 HA VAL A 33 -0.399 -0.283 5.481 1.00 0.55 H new ATOM 0 HB VAL A 33 -3.092 1.000 4.963 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -2.105 3.121 5.718 1.00 0.62 H new ATOM 0 HG12 VAL A 33 -2.213 1.930 7.037 1.00 0.62 H new ATOM 0 HG13 VAL A 33 -0.648 2.249 6.252 1.00 0.62 H new ATOM 0 HG21 VAL A 33 -1.775 2.380 3.389 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -0.312 1.463 3.819 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -1.665 0.647 2.999 1.00 0.56 H new ATOM 491 N THR A 34 -0.893 -0.446 7.926 1.00 0.62 N ATOM 492 CA THR A 34 -1.130 -0.684 9.353 1.00 0.71 C ATOM 493 C THR A 34 -1.247 0.606 10.178 1.00 0.72 C ATOM 494 O THR A 34 -1.932 0.615 11.201 1.00 0.84 O ATOM 495 CB THR A 34 -0.018 -1.576 9.930 1.00 0.74 C ATOM 496 OG1 THR A 34 1.083 -0.799 10.375 1.00 1.39 O ATOM 497 CG2 THR A 34 0.514 -2.599 8.943 1.00 1.29 C ATOM 0 H THR A 34 0.076 -0.230 7.690 1.00 0.62 H new ATOM 0 HA THR A 34 -2.094 -1.188 9.426 1.00 0.71 H new ATOM 0 HB THR A 34 -0.488 -2.104 10.759 1.00 0.74 H new ATOM 0 HG1 THR A 34 1.193 -0.022 9.788 1.00 1.39 H new ATOM 0 HG21 THR A 34 1.295 -3.192 9.419 1.00 1.29 H new ATOM 0 HG22 THR A 34 -0.297 -3.255 8.626 1.00 1.29 H new ATOM 0 HG23 THR A 34 0.927 -2.086 8.074 1.00 1.29 H new ATOM 505 N LYS A 35 -0.586 1.686 9.744 1.00 0.65 N ATOM 506 CA LYS A 35 -0.636 2.958 10.480 1.00 0.71 C ATOM 507 C LYS A 35 -0.247 4.140 9.594 1.00 0.69 C ATOM 508 O LYS A 35 0.852 4.175 9.042 1.00 0.62 O ATOM 509 CB LYS A 35 0.307 2.918 11.692 1.00 0.72 C ATOM 510 CG LYS A 35 -0.143 1.983 12.802 1.00 1.32 C ATOM 511 CD LYS A 35 0.661 2.198 14.075 1.00 1.46 C ATOM 512 CE LYS A 35 -0.147 1.840 15.314 1.00 2.02 C ATOM 513 NZ LYS A 35 -0.340 0.369 15.453 1.00 2.54 N ATOM 0 H LYS A 35 -0.017 1.707 8.898 1.00 0.65 H new ATOM 0 HA LYS A 35 -1.665 3.092 10.813 1.00 0.71 H new ATOM 0 HB2 LYS A 35 1.299 2.614 11.357 1.00 0.72 H new ATOM 0 HB3 LYS A 35 0.402 3.925 12.097 1.00 0.72 H new ATOM 0 HG2 LYS A 35 -1.201 2.144 13.008 1.00 1.32 H new ATOM 0 HG3 LYS A 35 -0.036 0.949 12.474 1.00 1.32 H new ATOM 0 HD2 LYS A 35 1.566 1.591 14.042 1.00 1.46 H new ATOM 0 HD3 LYS A 35 0.978 3.239 14.135 1.00 1.46 H new ATOM 0 HE2 LYS A 35 0.359 2.224 16.200 1.00 2.02 H new ATOM 0 HE3 LYS A 35 -1.120 2.330 15.266 1.00 2.02 H new ATOM 0 HZ1 LYS A 35 -0.895 0.171 16.310 1.00 2.54 H new ATOM 0 HZ2 LYS A 35 -0.846 0.005 14.621 1.00 2.54 H new ATOM 0 HZ3 LYS A 35 0.587 -0.097 15.526 1.00 2.54 H new ATOM 527 N ILE A 36 -1.145 5.117 9.474 1.00 0.86 N ATOM 528 CA ILE A 36 -0.875 6.303 8.667 1.00 0.92 C ATOM 529 C ILE A 36 -0.415 7.471 9.548 1.00 0.98 C ATOM 530 O ILE A 36 -1.138 7.901 10.449 1.00 1.06 O ATOM 531 CB ILE A 36 -2.113 6.729 7.846 1.00 1.03 C ATOM 532 CG1 ILE A 36 -2.464 5.643 6.823 1.00 1.40 C ATOM 533 CG2 ILE A 36 -1.859 8.063 7.150 1.00 1.12 C ATOM 534 CD1 ILE A 36 -3.432 6.097 5.750 1.00 1.35 C ATOM 0 H ILE A 36 -2.061 5.110 9.923 1.00 0.86 H new ATOM 0 HA ILE A 36 -0.076 6.041 7.973 1.00 0.92 H new ATOM 0 HB ILE A 36 -2.958 6.855 8.523 1.00 1.03 H new ATOM 0 HG12 ILE A 36 -1.547 5.296 6.347 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -2.893 4.789 7.347 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -2.741 8.348 6.576 1.00 1.12 H new ATOM 0 HG22 ILE A 36 -1.649 8.829 7.897 1.00 1.12 H new ATOM 0 HG23 ILE A 36 -1.005 7.967 6.479 1.00 1.12 H new ATOM 0 HD11 ILE A 36 -3.630 5.272 5.066 1.00 1.35 H new ATOM 0 HD12 ILE A 36 -4.366 6.416 6.213 1.00 1.35 H new ATOM 0 HD13 ILE A 36 -2.998 6.931 5.198 1.00 1.35 H new ATOM 546 N ILE A 37 0.790 7.980 9.275 1.00 1.03 N ATOM 547 CA ILE A 37 1.356 9.098 10.030 1.00 1.10 C ATOM 548 C ILE A 37 0.715 10.423 9.606 1.00 1.10 C ATOM 549 O ILE A 37 0.339 10.596 8.445 1.00 1.37 O ATOM 550 CB ILE A 37 2.893 9.185 9.835 1.00 1.14 C ATOM 551 CG1 ILE A 37 3.593 8.015 10.532 1.00 1.47 C ATOM 552 CG2 ILE A 37 3.438 10.508 10.360 1.00 1.32 C ATOM 553 CD1 ILE A 37 3.711 6.773 9.675 1.00 1.68 C ATOM 0 H ILE A 37 1.395 7.631 8.531 1.00 1.03 H new ATOM 0 HA ILE A 37 1.144 8.918 11.084 1.00 1.10 H new ATOM 0 HB ILE A 37 3.096 9.130 8.766 1.00 1.14 H new ATOM 0 HG12 ILE A 37 4.591 8.331 10.837 1.00 1.47 H new ATOM 0 HG13 ILE A 37 3.046 7.767 11.441 1.00 1.47 H new ATOM 0 HG21 ILE A 37 4.517 10.542 10.211 1.00 1.32 H new ATOM 0 HG22 ILE A 37 2.971 11.333 9.822 1.00 1.32 H new ATOM 0 HG23 ILE A 37 3.216 10.597 11.423 1.00 1.32 H new ATOM 0 HD11 ILE A 37 4.218 5.989 10.238 1.00 1.68 H new ATOM 0 HD12 ILE A 37 2.716 6.431 9.391 1.00 1.68 H new ATOM 0 HD13 ILE A 37 4.285 7.003 8.777 1.00 1.68 H new ATOM 565 N GLU A 38 0.601 11.354 10.556 1.00 0.96 N ATOM 566 CA GLU A 38 0.013 12.670 10.286 1.00 0.99 C ATOM 567 C GLU A 38 0.836 13.436 9.249 1.00 1.31 C ATOM 568 O GLU A 38 2.065 13.340 9.222 1.00 1.64 O ATOM 569 CB GLU A 38 -0.093 13.488 11.580 1.00 1.23 C ATOM 570 CG GLU A 38 -1.141 14.588 11.525 1.00 1.71 C ATOM 571 CD GLU A 38 -1.601 15.024 12.903 1.00 2.41 C ATOM 572 OE1 GLU A 38 -0.963 15.927 13.486 1.00 2.79 O ATOM 573 OE2 GLU A 38 -2.599 14.462 13.402 1.00 3.11 O ATOM 0 H GLU A 38 0.908 11.222 11.520 1.00 0.96 H new ATOM 0 HA GLU A 38 -0.988 12.513 9.884 1.00 0.99 H new ATOM 0 HB2 GLU A 38 -0.328 12.816 12.406 1.00 1.23 H new ATOM 0 HB3 GLU A 38 0.878 13.934 11.798 1.00 1.23 H new ATOM 0 HG2 GLU A 38 -0.733 15.448 10.993 1.00 1.71 H new ATOM 0 HG3 GLU A 38 -2.000 14.238 10.953 1.00 1.71 H new ATOM 580 N GLY A 39 0.146 14.202 8.400 1.00 1.69 N ATOM 581 CA GLY A 39 0.815 14.984 7.370 1.00 2.36 C ATOM 582 C GLY A 39 1.554 14.136 6.340 1.00 2.68 C ATOM 583 O GLY A 39 2.434 14.641 5.641 1.00 3.15 O ATOM 0 H GLY A 39 -0.870 14.294 8.409 1.00 1.69 H new ATOM 0 HA2 GLY A 39 0.077 15.601 6.858 1.00 2.36 H new ATOM 0 HA3 GLY A 39 1.524 15.663 7.844 1.00 2.36 H new ATOM 587 N GLY A 40 1.203 12.850 6.247 1.00 2.49 N ATOM 588 CA GLY A 40 1.853 11.964 5.294 1.00 2.80 C ATOM 589 C GLY A 40 1.142 11.914 3.952 1.00 2.61 C ATOM 590 O GLY A 40 0.009 12.379 3.829 1.00 2.37 O ATOM 0 H GLY A 40 0.480 12.409 6.816 1.00 2.49 H new ATOM 0 HA2 GLY A 40 2.881 12.293 5.143 1.00 2.80 H new ATOM 0 HA3 GLY A 40 1.898 10.959 5.713 1.00 2.80 H new ATOM 594 N ALA A 41 1.818 11.351 2.948 1.00 2.83 N ATOM 595 CA ALA A 41 1.264 11.234 1.596 1.00 2.70 C ATOM 596 C ALA A 41 -0.167 10.694 1.612 1.00 2.11 C ATOM 597 O ALA A 41 -1.077 11.324 1.074 1.00 2.06 O ATOM 598 CB ALA A 41 2.151 10.341 0.740 1.00 3.00 C ATOM 0 H ALA A 41 2.757 10.966 3.047 1.00 2.83 H new ATOM 0 HA ALA A 41 1.235 12.235 1.165 1.00 2.70 H new ATOM 0 HB1 ALA A 41 1.729 10.262 -0.262 1.00 3.00 H new ATOM 0 HB2 ALA A 41 3.151 10.771 0.680 1.00 3.00 H new ATOM 0 HB3 ALA A 41 2.210 9.349 1.188 1.00 3.00 H new ATOM 604 N ALA A 42 -0.362 9.529 2.239 1.00 1.82 N ATOM 605 CA ALA A 42 -1.686 8.916 2.327 1.00 1.36 C ATOM 606 C ALA A 42 -2.620 9.758 3.194 1.00 1.16 C ATOM 607 O ALA A 42 -3.742 10.066 2.789 1.00 1.02 O ATOM 608 CB ALA A 42 -1.582 7.500 2.880 1.00 1.50 C ATOM 0 H ALA A 42 0.380 8.995 2.691 1.00 1.82 H new ATOM 0 HA ALA A 42 -2.105 8.868 1.322 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -2.577 7.058 2.939 1.00 1.50 H new ATOM 0 HB2 ALA A 42 -0.956 6.897 2.222 1.00 1.50 H new ATOM 0 HB3 ALA A 42 -1.139 7.530 3.875 1.00 1.50 H new ATOM 614 N HIS A 43 -2.143 10.124 4.386 1.00 1.34 N ATOM 615 CA HIS A 43 -2.920 10.935 5.327 1.00 1.21 C ATOM 616 C HIS A 43 -3.501 12.180 4.649 1.00 1.08 C ATOM 617 O HIS A 43 -4.690 12.473 4.789 1.00 1.15 O ATOM 618 CB HIS A 43 -2.034 11.351 6.505 1.00 1.39 C ATOM 619 CG HIS A 43 -2.763 12.084 7.586 1.00 1.16 C ATOM 620 ND1 HIS A 43 -2.902 13.455 7.601 1.00 1.34 N ATOM 621 CD2 HIS A 43 -3.384 11.632 8.701 1.00 1.15 C ATOM 622 CE1 HIS A 43 -3.573 13.816 8.679 1.00 1.22 C ATOM 623 NE2 HIS A 43 -3.879 12.728 9.363 1.00 1.28 N ATOM 0 H HIS A 43 -1.215 9.869 4.724 1.00 1.34 H new ATOM 0 HA HIS A 43 -3.752 10.330 5.687 1.00 1.21 H new ATOM 0 HB2 HIS A 43 -1.573 10.460 6.932 1.00 1.39 H new ATOM 0 HB3 HIS A 43 -1.226 11.982 6.134 1.00 1.39 H new ATOM 0 HD2 HIS A 43 -3.473 10.601 9.012 1.00 1.15 H new ATOM 0 HE1 HIS A 43 -3.828 14.828 8.955 1.00 1.22 H new ATOM 0 HE2 HIS A 43 -4.399 12.706 10.240 1.00 1.28 H new ATOM 632 N LYS A 44 -2.654 12.902 3.915 1.00 1.15 N ATOM 633 CA LYS A 44 -3.075 14.113 3.213 1.00 1.31 C ATOM 634 C LYS A 44 -4.013 13.782 2.050 1.00 1.39 C ATOM 635 O LYS A 44 -4.964 14.518 1.786 1.00 1.46 O ATOM 636 CB LYS A 44 -1.855 14.882 2.697 1.00 1.74 C ATOM 637 CG LYS A 44 -1.062 15.571 3.797 1.00 1.89 C ATOM 638 CD LYS A 44 0.306 16.016 3.307 1.00 2.36 C ATOM 639 CE LYS A 44 0.885 17.111 4.190 1.00 2.17 C ATOM 640 NZ LYS A 44 2.172 17.637 3.655 1.00 2.66 N ATOM 0 H LYS A 44 -1.669 12.667 3.791 1.00 1.15 H new ATOM 0 HA LYS A 44 -3.618 14.738 3.923 1.00 1.31 H new ATOM 0 HB2 LYS A 44 -1.199 14.193 2.165 1.00 1.74 H new ATOM 0 HB3 LYS A 44 -2.185 15.629 1.975 1.00 1.74 H new ATOM 0 HG2 LYS A 44 -1.618 16.436 4.160 1.00 1.89 H new ATOM 0 HG3 LYS A 44 -0.943 14.891 4.641 1.00 1.89 H new ATOM 0 HD2 LYS A 44 0.984 15.162 3.292 1.00 2.36 H new ATOM 0 HD3 LYS A 44 0.227 16.378 2.282 1.00 2.36 H new ATOM 0 HE2 LYS A 44 0.167 17.927 4.274 1.00 2.17 H new ATOM 0 HE3 LYS A 44 1.043 16.721 5.195 1.00 2.17 H new ATOM 0 HZ1 LYS A 44 2.532 18.381 4.286 1.00 2.66 H new ATOM 0 HZ2 LYS A 44 2.866 16.865 3.599 1.00 2.66 H new ATOM 0 HZ3 LYS A 44 2.017 18.033 2.706 1.00 2.66 H new ATOM 654 N ASP A 45 -3.742 12.667 1.365 1.00 1.59 N ATOM 655 CA ASP A 45 -4.565 12.233 0.236 1.00 1.86 C ATOM 656 C ASP A 45 -5.995 11.941 0.688 1.00 1.89 C ATOM 657 O ASP A 45 -6.951 12.502 0.150 1.00 1.97 O ATOM 658 CB ASP A 45 -3.957 10.986 -0.417 1.00 2.33 C ATOM 659 CG ASP A 45 -4.342 10.847 -1.878 1.00 2.69 C ATOM 660 OD1 ASP A 45 -5.468 10.386 -2.155 1.00 3.24 O ATOM 661 OD2 ASP A 45 -3.515 11.199 -2.746 1.00 2.80 O ATOM 0 H ASP A 45 -2.958 12.049 1.574 1.00 1.59 H new ATOM 0 HA ASP A 45 -4.591 13.040 -0.496 1.00 1.86 H new ATOM 0 HB2 ASP A 45 -2.871 11.029 -0.334 1.00 2.33 H new ATOM 0 HB3 ASP A 45 -4.283 10.100 0.127 1.00 2.33 H new ATOM 666 N GLY A 46 -6.131 11.061 1.683 1.00 2.08 N ATOM 667 CA GLY A 46 -7.444 10.707 2.201 1.00 2.49 C ATOM 668 C GLY A 46 -8.020 9.447 1.570 1.00 2.11 C ATOM 669 O GLY A 46 -8.881 8.796 2.163 1.00 2.47 O ATOM 0 H GLY A 46 -5.352 10.587 2.139 1.00 2.08 H new ATOM 0 HA2 GLY A 46 -7.376 10.566 3.280 1.00 2.49 H new ATOM 0 HA3 GLY A 46 -8.130 11.537 2.031 1.00 2.49 H new ATOM 673 N LYS A 47 -7.551 9.104 0.367 1.00 1.87 N ATOM 674 CA LYS A 47 -8.033 7.916 -0.338 1.00 2.32 C ATOM 675 C LYS A 47 -7.594 6.633 0.367 1.00 1.93 C ATOM 676 O LYS A 47 -8.370 5.681 0.471 1.00 1.95 O ATOM 677 CB LYS A 47 -7.532 7.914 -1.785 1.00 2.80 C ATOM 678 CG LYS A 47 -8.483 7.231 -2.756 1.00 3.64 C ATOM 679 CD LYS A 47 -8.919 8.175 -3.867 1.00 4.17 C ATOM 680 CE LYS A 47 -10.349 7.899 -4.306 1.00 5.03 C ATOM 681 NZ LYS A 47 -11.343 8.612 -3.454 1.00 5.67 N ATOM 0 H LYS A 47 -6.839 9.632 -0.137 1.00 1.87 H new ATOM 0 HA LYS A 47 -9.122 7.949 -0.336 1.00 2.32 H new ATOM 0 HB2 LYS A 47 -7.373 8.943 -2.108 1.00 2.80 H new ATOM 0 HB3 LYS A 47 -6.564 7.415 -1.825 1.00 2.80 H new ATOM 0 HG2 LYS A 47 -7.996 6.357 -3.190 1.00 3.64 H new ATOM 0 HG3 LYS A 47 -9.360 6.873 -2.217 1.00 3.64 H new ATOM 0 HD2 LYS A 47 -8.836 9.206 -3.523 1.00 4.17 H new ATOM 0 HD3 LYS A 47 -8.249 8.068 -4.720 1.00 4.17 H new ATOM 0 HE2 LYS A 47 -10.475 8.206 -5.344 1.00 5.03 H new ATOM 0 HE3 LYS A 47 -10.540 6.827 -4.265 1.00 5.03 H new ATOM 0 HZ1 LYS A 47 -12.304 8.396 -3.788 1.00 5.67 H new ATOM 0 HZ2 LYS A 47 -11.241 8.301 -2.467 1.00 5.67 H new ATOM 0 HZ3 LYS A 47 -11.178 9.637 -3.512 1.00 5.67 H new ATOM 695 N LEU A 48 -6.348 6.608 0.842 1.00 1.68 N ATOM 696 CA LEU A 48 -5.813 5.434 1.528 1.00 1.38 C ATOM 697 C LEU A 48 -6.137 5.462 3.022 1.00 1.28 C ATOM 698 O LEU A 48 -5.864 6.447 3.711 1.00 1.35 O ATOM 699 CB LEU A 48 -4.299 5.331 1.321 1.00 1.19 C ATOM 700 CG LEU A 48 -3.732 3.908 1.377 1.00 1.09 C ATOM 701 CD1 LEU A 48 -2.412 3.826 0.624 1.00 1.56 C ATOM 702 CD2 LEU A 48 -3.554 3.461 2.818 1.00 1.06 C ATOM 0 H LEU A 48 -5.693 7.386 0.764 1.00 1.68 H new ATOM 0 HA LEU A 48 -6.291 4.556 1.094 1.00 1.38 H new ATOM 0 HB2 LEU A 48 -4.049 5.767 0.354 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -3.802 5.934 2.081 1.00 1.19 H new ATOM 0 HG LEU A 48 -4.443 3.237 0.895 1.00 1.09 H new ATOM 0 HD11 LEU A 48 -2.026 2.808 0.676 1.00 1.56 H new ATOM 0 HD12 LEU A 48 -2.570 4.102 -0.419 1.00 1.56 H new ATOM 0 HD13 LEU A 48 -1.693 4.510 1.075 1.00 1.56 H new ATOM 0 HD21 LEU A 48 -3.151 2.449 2.838 1.00 1.06 H new ATOM 0 HD22 LEU A 48 -2.865 4.136 3.326 1.00 1.06 H new ATOM 0 HD23 LEU A 48 -4.518 3.477 3.326 1.00 1.06 H new ATOM 714 N GLN A 49 -6.711 4.362 3.509 1.00 1.21 N ATOM 715 CA GLN A 49 -7.074 4.218 4.912 1.00 1.17 C ATOM 716 C GLN A 49 -6.690 2.824 5.416 1.00 1.09 C ATOM 717 O GLN A 49 -6.734 1.853 4.661 1.00 1.14 O ATOM 718 CB GLN A 49 -8.575 4.458 5.099 1.00 1.30 C ATOM 719 CG GLN A 49 -9.465 3.400 4.458 1.00 1.46 C ATOM 720 CD GLN A 49 -9.631 3.596 2.962 1.00 1.45 C ATOM 721 OE1 GLN A 49 -10.258 4.557 2.517 1.00 1.54 O ATOM 722 NE2 GLN A 49 -9.070 2.683 2.176 1.00 1.52 N ATOM 0 H GLN A 49 -6.936 3.547 2.938 1.00 1.21 H new ATOM 0 HA GLN A 49 -6.529 4.962 5.494 1.00 1.17 H new ATOM 0 HB2 GLN A 49 -8.794 4.502 6.166 1.00 1.30 H new ATOM 0 HB3 GLN A 49 -8.830 5.432 4.681 1.00 1.30 H new ATOM 0 HG2 GLN A 49 -9.041 2.414 4.645 1.00 1.46 H new ATOM 0 HG3 GLN A 49 -10.446 3.421 4.933 1.00 1.46 H new ATOM 0 HE21 GLN A 49 -8.559 1.902 2.586 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -9.151 2.764 1.162 1.00 1.52 H new ATOM 731 N ILE A 50 -6.311 2.733 6.693 1.00 1.06 N ATOM 732 CA ILE A 50 -5.912 1.452 7.289 1.00 1.03 C ATOM 733 C ILE A 50 -6.921 0.346 6.978 1.00 1.05 C ATOM 734 O ILE A 50 -8.115 0.483 7.254 1.00 1.16 O ATOM 735 CB ILE A 50 -5.739 1.559 8.821 1.00 1.08 C ATOM 736 CG1 ILE A 50 -6.934 2.280 9.459 1.00 1.76 C ATOM 737 CG2 ILE A 50 -4.438 2.275 9.156 1.00 1.14 C ATOM 738 CD1 ILE A 50 -7.523 1.542 10.642 1.00 2.56 C ATOM 0 H ILE A 50 -6.271 3.526 7.333 1.00 1.06 H new ATOM 0 HA ILE A 50 -4.952 1.196 6.842 1.00 1.03 H new ATOM 0 HB ILE A 50 -5.697 0.551 9.233 1.00 1.08 H new ATOM 0 HG12 ILE A 50 -6.620 3.273 9.780 1.00 1.76 H new ATOM 0 HG13 ILE A 50 -7.709 2.419 8.705 1.00 1.76 H new ATOM 0 HG21 ILE A 50 -4.329 2.344 10.238 1.00 1.14 H new ATOM 0 HG22 ILE A 50 -3.598 1.717 8.741 1.00 1.14 H new ATOM 0 HG23 ILE A 50 -4.454 3.278 8.729 1.00 1.14 H new ATOM 0 HD11 ILE A 50 -8.363 2.109 11.043 1.00 2.56 H new ATOM 0 HD12 ILE A 50 -7.868 0.559 10.322 1.00 2.56 H new ATOM 0 HD13 ILE A 50 -6.762 1.426 11.414 1.00 2.56 H new ATOM 750 N GLY A 51 -6.429 -0.750 6.393 1.00 1.02 N ATOM 751 CA GLY A 51 -7.292 -1.869 6.042 1.00 1.10 C ATOM 752 C GLY A 51 -7.285 -2.182 4.556 1.00 1.04 C ATOM 753 O GLY A 51 -7.578 -3.314 4.167 1.00 1.03 O ATOM 0 H GLY A 51 -5.446 -0.881 6.156 1.00 1.02 H new ATOM 0 HA2 GLY A 51 -6.974 -2.753 6.595 1.00 1.10 H new ATOM 0 HA3 GLY A 51 -8.312 -1.646 6.356 1.00 1.10 H new ATOM 757 N ASP A 52 -6.948 -1.195 3.715 1.00 1.04 N ATOM 758 CA ASP A 52 -6.905 -1.414 2.278 1.00 1.01 C ATOM 759 C ASP A 52 -5.721 -2.302 1.912 1.00 0.91 C ATOM 760 O ASP A 52 -4.733 -2.381 2.660 1.00 0.88 O ATOM 761 CB ASP A 52 -6.825 -0.084 1.514 1.00 1.03 C ATOM 762 CG ASP A 52 -5.804 0.889 2.072 1.00 1.11 C ATOM 763 OD1 ASP A 52 -4.749 0.440 2.574 1.00 1.55 O ATOM 764 OD2 ASP A 52 -6.060 2.104 1.997 1.00 1.56 O ATOM 0 H ASP A 52 -6.705 -0.249 4.009 1.00 1.04 H new ATOM 0 HA ASP A 52 -7.828 -1.916 1.988 1.00 1.01 H new ATOM 0 HB2 ASP A 52 -6.583 -0.290 0.471 1.00 1.03 H new ATOM 0 HB3 ASP A 52 -7.807 0.389 1.526 1.00 1.03 H new ATOM 769 N LYS A 53 -5.809 -2.956 0.753 1.00 0.88 N ATOM 770 CA LYS A 53 -4.733 -3.820 0.292 1.00 0.82 C ATOM 771 C LYS A 53 -4.065 -3.246 -0.947 1.00 0.76 C ATOM 772 O LYS A 53 -4.694 -2.581 -1.762 1.00 0.87 O ATOM 773 CB LYS A 53 -5.253 -5.230 -0.002 1.00 0.94 C ATOM 774 CG LYS A 53 -6.457 -5.269 -0.929 1.00 1.33 C ATOM 775 CD LYS A 53 -7.623 -6.010 -0.293 1.00 1.83 C ATOM 776 CE LYS A 53 -7.986 -7.264 -1.079 1.00 2.37 C ATOM 777 NZ LYS A 53 -8.245 -8.432 -0.191 1.00 3.23 N ATOM 0 H LYS A 53 -6.610 -2.902 0.124 1.00 0.88 H new ATOM 0 HA LYS A 53 -3.993 -3.879 1.090 1.00 0.82 H new ATOM 0 HB2 LYS A 53 -4.448 -5.817 -0.445 1.00 0.94 H new ATOM 0 HB3 LYS A 53 -5.518 -5.711 0.940 1.00 0.94 H new ATOM 0 HG2 LYS A 53 -6.761 -4.252 -1.176 1.00 1.33 H new ATOM 0 HG3 LYS A 53 -6.182 -5.755 -1.865 1.00 1.33 H new ATOM 0 HD2 LYS A 53 -7.367 -6.283 0.731 1.00 1.83 H new ATOM 0 HD3 LYS A 53 -8.489 -5.350 -0.240 1.00 1.83 H new ATOM 0 HE2 LYS A 53 -8.871 -7.067 -1.684 1.00 2.37 H new ATOM 0 HE3 LYS A 53 -7.176 -7.506 -1.767 1.00 2.37 H new ATOM 0 HZ1 LYS A 53 -8.203 -9.309 -0.749 1.00 3.23 H new ATOM 0 HZ2 LYS A 53 -7.525 -8.464 0.559 1.00 3.23 H new ATOM 0 HZ3 LYS A 53 -9.188 -8.340 0.238 1.00 3.23 H new ATOM 791 N LEU A 54 -2.780 -3.508 -1.063 1.00 0.64 N ATOM 792 CA LEU A 54 -2.000 -3.009 -2.185 1.00 0.66 C ATOM 793 C LEU A 54 -1.878 -4.045 -3.292 1.00 0.64 C ATOM 794 O LEU A 54 -1.102 -4.997 -3.195 1.00 0.79 O ATOM 795 CB LEU A 54 -0.624 -2.534 -1.719 1.00 0.73 C ATOM 796 CG LEU A 54 -0.429 -1.016 -1.750 1.00 0.83 C ATOM 797 CD1 LEU A 54 0.630 -0.588 -0.745 1.00 1.11 C ATOM 798 CD2 LEU A 54 -0.063 -0.551 -3.152 1.00 1.72 C ATOM 0 H LEU A 54 -2.249 -4.065 -0.394 1.00 0.64 H new ATOM 0 HA LEU A 54 -2.532 -2.154 -2.602 1.00 0.66 H new ATOM 0 HB2 LEU A 54 -0.458 -2.888 -0.701 1.00 0.73 H new ATOM 0 HB3 LEU A 54 0.137 -2.998 -2.346 1.00 0.73 H new ATOM 0 HG LEU A 54 -1.371 -0.545 -1.470 1.00 0.83 H new ATOM 0 HD11 LEU A 54 0.752 0.494 -0.784 1.00 1.11 H new ATOM 0 HD12 LEU A 54 0.320 -0.882 0.258 1.00 1.11 H new ATOM 0 HD13 LEU A 54 1.577 -1.069 -0.988 1.00 1.11 H new ATOM 0 HD21 LEU A 54 0.071 0.531 -3.153 1.00 1.72 H new ATOM 0 HD22 LEU A 54 0.864 -1.032 -3.465 1.00 1.72 H new ATOM 0 HD23 LEU A 54 -0.862 -0.818 -3.844 1.00 1.72 H new ATOM 810 N LEU A 55 -2.656 -3.836 -4.354 1.00 0.56 N ATOM 811 CA LEU A 55 -2.652 -4.721 -5.509 1.00 0.58 C ATOM 812 C LEU A 55 -1.302 -4.662 -6.216 1.00 0.54 C ATOM 813 O LEU A 55 -0.722 -5.701 -6.534 1.00 0.56 O ATOM 814 CB LEU A 55 -3.776 -4.340 -6.479 1.00 0.66 C ATOM 815 CG LEU A 55 -3.853 -5.186 -7.753 1.00 0.91 C ATOM 816 CD1 LEU A 55 -5.260 -5.731 -7.949 1.00 1.27 C ATOM 817 CD2 LEU A 55 -3.420 -4.367 -8.963 1.00 1.87 C ATOM 0 H LEU A 55 -3.302 -3.051 -4.434 1.00 0.56 H new ATOM 0 HA LEU A 55 -2.822 -5.741 -5.164 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -4.728 -4.415 -5.954 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -3.650 -3.295 -6.763 1.00 0.66 H new ATOM 0 HG LEU A 55 -3.172 -6.030 -7.648 1.00 0.91 H new ATOM 0 HD11 LEU A 55 -5.295 -6.329 -8.859 1.00 1.27 H new ATOM 0 HD12 LEU A 55 -5.532 -6.352 -7.096 1.00 1.27 H new ATOM 0 HD13 LEU A 55 -5.963 -4.902 -8.033 1.00 1.27 H new ATOM 0 HD21 LEU A 55 -3.481 -4.983 -9.860 1.00 1.87 H new ATOM 0 HD22 LEU A 55 -4.076 -3.503 -9.071 1.00 1.87 H new ATOM 0 HD23 LEU A 55 -2.393 -4.028 -8.824 1.00 1.87 H new ATOM 829 N ALA A 56 -0.800 -3.443 -6.466 1.00 0.51 N ATOM 830 CA ALA A 56 0.490 -3.289 -7.143 1.00 0.49 C ATOM 831 C ALA A 56 1.157 -1.940 -6.833 1.00 0.53 C ATOM 832 O ALA A 56 0.494 -0.982 -6.437 1.00 0.67 O ATOM 833 CB ALA A 56 0.302 -3.446 -8.652 1.00 0.54 C ATOM 0 H ALA A 56 -1.259 -2.568 -6.214 1.00 0.51 H new ATOM 0 HA ALA A 56 1.152 -4.069 -6.767 1.00 0.49 H new ATOM 0 HB1 ALA A 56 1.263 -3.331 -9.152 1.00 0.54 H new ATOM 0 HB2 ALA A 56 -0.103 -4.435 -8.867 1.00 0.54 H new ATOM 0 HB3 ALA A 56 -0.389 -2.684 -9.014 1.00 0.54 H new ATOM 839 N VAL A 57 2.481 -1.880 -7.019 1.00 0.50 N ATOM 840 CA VAL A 57 3.245 -0.657 -6.770 1.00 0.59 C ATOM 841 C VAL A 57 4.326 -0.454 -7.833 1.00 0.53 C ATOM 842 O VAL A 57 5.314 -1.186 -7.875 1.00 0.52 O ATOM 843 CB VAL A 57 3.902 -0.667 -5.371 1.00 0.77 C ATOM 844 CG1 VAL A 57 4.858 0.508 -5.212 1.00 1.42 C ATOM 845 CG2 VAL A 57 2.840 -0.641 -4.284 1.00 1.47 C ATOM 0 H VAL A 57 3.044 -2.667 -7.342 1.00 0.50 H new ATOM 0 HA VAL A 57 2.535 0.169 -6.817 1.00 0.59 H new ATOM 0 HB VAL A 57 4.477 -1.588 -5.272 1.00 0.77 H new ATOM 0 HG11 VAL A 57 5.308 0.479 -4.220 1.00 1.42 H new ATOM 0 HG12 VAL A 57 5.641 0.445 -5.967 1.00 1.42 H new ATOM 0 HG13 VAL A 57 4.310 1.442 -5.335 1.00 1.42 H new ATOM 0 HG21 VAL A 57 3.320 -0.648 -3.306 1.00 1.47 H new ATOM 0 HG22 VAL A 57 2.237 0.262 -4.385 1.00 1.47 H new ATOM 0 HG23 VAL A 57 2.199 -1.518 -4.380 1.00 1.47 H new ATOM 855 N ASN A 58 4.130 0.549 -8.690 1.00 0.57 N ATOM 856 CA ASN A 58 5.085 0.863 -9.756 1.00 0.58 C ATOM 857 C ASN A 58 5.189 -0.284 -10.770 1.00 0.59 C ATOM 858 O ASN A 58 6.290 -0.686 -11.157 1.00 0.60 O ATOM 859 CB ASN A 58 6.467 1.184 -9.166 1.00 0.57 C ATOM 860 CG ASN A 58 6.487 2.492 -8.392 1.00 0.80 C ATOM 861 OD1 ASN A 58 5.541 2.817 -7.672 1.00 1.39 O ATOM 862 ND2 ASN A 58 7.570 3.250 -8.534 1.00 1.49 N ATOM 0 H ASN A 58 3.314 1.161 -8.667 1.00 0.57 H new ATOM 0 HA ASN A 58 4.716 1.743 -10.283 1.00 0.58 H new ATOM 0 HB2 ASN A 58 6.773 0.372 -8.506 1.00 0.57 H new ATOM 0 HB3 ASN A 58 7.199 1.233 -9.972 1.00 0.57 H new ATOM 0 HD21 ASN A 58 7.640 4.138 -8.037 1.00 1.49 H new ATOM 0 HD22 ASN A 58 8.331 2.944 -9.140 1.00 1.49 H new ATOM 869 N ASN A 59 4.028 -0.794 -11.199 1.00 0.60 N ATOM 870 CA ASN A 59 3.949 -1.886 -12.181 1.00 0.65 C ATOM 871 C ASN A 59 4.150 -3.275 -11.555 1.00 0.61 C ATOM 872 O ASN A 59 3.832 -4.284 -12.188 1.00 0.67 O ATOM 873 CB ASN A 59 4.963 -1.673 -13.313 1.00 0.71 C ATOM 874 CG ASN A 59 4.438 -2.138 -14.658 1.00 1.18 C ATOM 875 OD1 ASN A 59 3.756 -1.393 -15.362 1.00 1.74 O ATOM 876 ND2 ASN A 59 4.752 -3.378 -15.024 1.00 1.52 N ATOM 0 H ASN A 59 3.118 -0.463 -10.877 1.00 0.60 H new ATOM 0 HA ASN A 59 2.937 -1.859 -12.585 1.00 0.65 H new ATOM 0 HB2 ASN A 59 5.219 -0.615 -13.373 1.00 0.71 H new ATOM 0 HB3 ASN A 59 5.882 -2.211 -13.079 1.00 0.71 H new ATOM 0 HD21 ASN A 59 4.425 -3.744 -15.918 1.00 1.52 H new ATOM 0 HD22 ASN A 59 5.320 -3.963 -14.410 1.00 1.52 H new ATOM 883 N VAL A 60 4.660 -3.339 -10.319 1.00 0.53 N ATOM 884 CA VAL A 60 4.870 -4.625 -9.649 1.00 0.52 C ATOM 885 C VAL A 60 3.676 -4.970 -8.767 1.00 0.51 C ATOM 886 O VAL A 60 3.058 -4.082 -8.192 1.00 0.50 O ATOM 887 CB VAL A 60 6.156 -4.635 -8.784 1.00 0.50 C ATOM 888 CG1 VAL A 60 7.352 -4.123 -9.575 1.00 0.51 C ATOM 889 CG2 VAL A 60 5.971 -3.831 -7.503 1.00 0.54 C ATOM 0 H VAL A 60 4.932 -2.524 -9.769 1.00 0.53 H new ATOM 0 HA VAL A 60 4.982 -5.371 -10.435 1.00 0.52 H new ATOM 0 HB VAL A 60 6.353 -5.669 -8.502 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.240 -4.141 -8.944 1.00 0.51 H new ATOM 0 HG12 VAL A 60 7.512 -4.760 -10.445 1.00 0.51 H new ATOM 0 HG13 VAL A 60 7.161 -3.101 -9.903 1.00 0.51 H new ATOM 0 HG21 VAL A 60 6.891 -3.859 -6.920 1.00 0.54 H new ATOM 0 HG22 VAL A 60 5.731 -2.798 -7.753 1.00 0.54 H new ATOM 0 HG23 VAL A 60 5.158 -4.261 -6.918 1.00 0.54 H new ATOM 899 N CYS A 61 3.354 -6.257 -8.648 1.00 0.53 N ATOM 900 CA CYS A 61 2.230 -6.670 -7.811 1.00 0.54 C ATOM 901 C CYS A 61 2.657 -6.750 -6.350 1.00 0.58 C ATOM 902 O CYS A 61 3.698 -7.325 -6.026 1.00 0.72 O ATOM 903 CB CYS A 61 1.654 -8.006 -8.273 1.00 0.56 C ATOM 904 SG CYS A 61 2.769 -9.416 -8.067 1.00 0.71 S ATOM 0 H CYS A 61 3.846 -7.020 -9.112 1.00 0.53 H new ATOM 0 HA CYS A 61 1.447 -5.918 -7.908 1.00 0.54 H new ATOM 0 HB2 CYS A 61 0.735 -8.202 -7.720 1.00 0.56 H new ATOM 0 HB3 CYS A 61 1.382 -7.925 -9.325 1.00 0.56 H new ATOM 0 HG CYS A 61 3.621 -9.161 -7.119 1.00 0.71 H new ATOM 910 N LEU A 62 1.837 -6.179 -5.474 1.00 0.55 N ATOM 911 CA LEU A 62 2.107 -6.187 -4.044 1.00 0.62 C ATOM 912 C LEU A 62 1.242 -7.224 -3.310 1.00 0.58 C ATOM 913 O LEU A 62 0.911 -7.049 -2.132 1.00 0.51 O ATOM 914 CB LEU A 62 1.902 -4.780 -3.478 1.00 0.77 C ATOM 915 CG LEU A 62 3.134 -4.187 -2.791 1.00 0.95 C ATOM 916 CD1 LEU A 62 4.170 -3.770 -3.823 1.00 1.71 C ATOM 917 CD2 LEU A 62 2.744 -3.006 -1.916 1.00 1.08 C ATOM 0 H LEU A 62 0.974 -5.702 -5.734 1.00 0.55 H new ATOM 0 HA LEU A 62 3.144 -6.481 -3.885 1.00 0.62 H new ATOM 0 HB2 LEU A 62 1.599 -4.117 -4.288 1.00 0.77 H new ATOM 0 HB3 LEU A 62 1.080 -4.806 -2.763 1.00 0.77 H new ATOM 0 HG LEU A 62 3.573 -4.954 -2.153 1.00 0.95 H new ATOM 0 HD11 LEU A 62 5.039 -3.350 -3.317 1.00 1.71 H new ATOM 0 HD12 LEU A 62 4.474 -4.640 -4.405 1.00 1.71 H new ATOM 0 HD13 LEU A 62 3.740 -3.020 -4.488 1.00 1.71 H new ATOM 0 HD21 LEU A 62 3.634 -2.599 -1.437 1.00 1.08 H new ATOM 0 HD22 LEU A 62 2.278 -2.236 -2.531 1.00 1.08 H new ATOM 0 HD23 LEU A 62 2.039 -3.336 -1.153 1.00 1.08 H new ATOM 929 N GLU A 63 0.855 -8.291 -4.015 1.00 0.72 N ATOM 930 CA GLU A 63 0.016 -9.336 -3.428 1.00 0.80 C ATOM 931 C GLU A 63 0.722 -10.696 -3.385 1.00 0.95 C ATOM 932 O GLU A 63 0.317 -11.578 -2.624 1.00 1.83 O ATOM 933 CB GLU A 63 -1.299 -9.456 -4.205 1.00 0.86 C ATOM 934 CG GLU A 63 -2.411 -10.133 -3.417 1.00 1.12 C ATOM 935 CD GLU A 63 -3.790 -9.620 -3.786 1.00 1.31 C ATOM 936 OE1 GLU A 63 -4.175 -8.539 -3.291 1.00 1.96 O ATOM 937 OE2 GLU A 63 -4.486 -10.299 -4.569 1.00 1.65 O ATOM 0 H GLU A 63 1.109 -8.452 -4.990 1.00 0.72 H new ATOM 0 HA GLU A 63 -0.189 -9.042 -2.399 1.00 0.80 H new ATOM 0 HB2 GLU A 63 -1.629 -8.460 -4.501 1.00 0.86 H new ATOM 0 HB3 GLU A 63 -1.120 -10.018 -5.122 1.00 0.86 H new ATOM 0 HG2 GLU A 63 -2.370 -11.208 -3.590 1.00 1.12 H new ATOM 0 HG3 GLU A 63 -2.243 -9.975 -2.352 1.00 1.12 H new ATOM 944 N GLU A 64 1.771 -10.870 -4.195 1.00 1.04 N ATOM 945 CA GLU A 64 2.510 -12.132 -4.231 1.00 1.08 C ATOM 946 C GLU A 64 3.985 -11.929 -3.867 1.00 0.90 C ATOM 947 O GLU A 64 4.876 -12.517 -4.485 1.00 0.96 O ATOM 948 CB GLU A 64 2.378 -12.772 -5.612 1.00 1.28 C ATOM 949 CG GLU A 64 1.365 -13.905 -5.665 1.00 1.53 C ATOM 950 CD GLU A 64 -0.055 -13.410 -5.867 1.00 2.14 C ATOM 951 OE1 GLU A 64 -0.454 -13.213 -7.035 1.00 2.40 O ATOM 952 OE2 GLU A 64 -0.769 -13.220 -4.860 1.00 2.93 O ATOM 0 H GLU A 64 2.125 -10.155 -4.831 1.00 1.04 H new ATOM 0 HA GLU A 64 2.080 -12.801 -3.486 1.00 1.08 H new ATOM 0 HB2 GLU A 64 2.091 -12.006 -6.332 1.00 1.28 H new ATOM 0 HB3 GLU A 64 3.352 -13.152 -5.922 1.00 1.28 H new ATOM 0 HG2 GLU A 64 1.628 -14.584 -6.476 1.00 1.53 H new ATOM 0 HG3 GLU A 64 1.418 -14.478 -4.739 1.00 1.53 H new ATOM 959 N VAL A 65 4.236 -11.090 -2.859 1.00 0.80 N ATOM 960 CA VAL A 65 5.604 -10.810 -2.419 1.00 0.64 C ATOM 961 C VAL A 65 5.726 -10.772 -0.899 1.00 0.64 C ATOM 962 O VAL A 65 4.749 -10.529 -0.187 1.00 0.70 O ATOM 963 CB VAL A 65 6.125 -9.470 -2.979 1.00 0.56 C ATOM 964 CG1 VAL A 65 6.380 -9.573 -4.476 1.00 0.64 C ATOM 965 CG2 VAL A 65 5.157 -8.334 -2.669 1.00 0.59 C ATOM 0 H VAL A 65 3.514 -10.595 -2.335 1.00 0.80 H new ATOM 0 HA VAL A 65 6.208 -11.630 -2.808 1.00 0.64 H new ATOM 0 HB VAL A 65 7.072 -9.245 -2.488 1.00 0.56 H new ATOM 0 HG11 VAL A 65 6.747 -8.617 -4.849 1.00 0.64 H new ATOM 0 HG12 VAL A 65 7.124 -10.346 -4.666 1.00 0.64 H new ATOM 0 HG13 VAL A 65 5.452 -9.830 -4.986 1.00 0.64 H new ATOM 0 HG21 VAL A 65 5.549 -7.401 -3.075 1.00 0.59 H new ATOM 0 HG22 VAL A 65 4.188 -8.548 -3.121 1.00 0.59 H new ATOM 0 HG23 VAL A 65 5.041 -8.239 -1.589 1.00 0.59 H new ATOM 975 N THR A 66 6.950 -10.993 -0.417 1.00 0.63 N ATOM 976 CA THR A 66 7.236 -10.964 1.015 1.00 0.69 C ATOM 977 C THR A 66 7.140 -9.532 1.540 1.00 0.61 C ATOM 978 O THR A 66 6.963 -8.591 0.760 1.00 0.66 O ATOM 979 CB THR A 66 8.632 -11.538 1.304 1.00 0.74 C ATOM 980 OG1 THR A 66 9.047 -12.419 0.272 1.00 1.53 O ATOM 981 CG2 THR A 66 8.710 -12.296 2.614 1.00 1.17 C ATOM 0 H THR A 66 7.761 -11.195 -1.002 1.00 0.63 H new ATOM 0 HA THR A 66 6.497 -11.582 1.525 1.00 0.69 H new ATOM 0 HB THR A 66 9.288 -10.669 1.363 1.00 0.74 H new ATOM 0 HG1 THR A 66 9.535 -11.915 -0.412 1.00 1.53 H new ATOM 0 HG21 THR A 66 9.722 -12.674 2.756 1.00 1.17 H new ATOM 0 HG22 THR A 66 8.454 -11.628 3.437 1.00 1.17 H new ATOM 0 HG23 THR A 66 8.010 -13.131 2.593 1.00 1.17 H new ATOM 989 N HIS A 67 7.248 -9.367 2.857 1.00 0.51 N ATOM 990 CA HIS A 67 7.156 -8.031 3.449 1.00 0.45 C ATOM 991 C HIS A 67 8.231 -7.104 2.881 1.00 0.43 C ATOM 992 O HIS A 67 7.956 -5.937 2.604 1.00 0.41 O ATOM 993 CB HIS A 67 7.206 -8.061 4.985 1.00 0.45 C ATOM 994 CG HIS A 67 6.891 -6.729 5.587 1.00 0.46 C ATOM 995 ND1 HIS A 67 5.679 -6.446 6.171 1.00 0.51 N ATOM 996 CD2 HIS A 67 7.608 -5.581 5.641 1.00 0.49 C ATOM 997 CE1 HIS A 67 5.660 -5.184 6.548 1.00 0.54 C ATOM 998 NE2 HIS A 67 6.818 -4.635 6.241 1.00 0.52 N ATOM 0 H HIS A 67 7.396 -10.124 3.524 1.00 0.51 H new ATOM 0 HA HIS A 67 6.179 -7.633 3.176 1.00 0.45 H new ATOM 0 HB2 HIS A 67 6.497 -8.802 5.355 1.00 0.45 H new ATOM 0 HB3 HIS A 67 8.197 -8.379 5.308 1.00 0.45 H new ATOM 0 HD1 HIS A 67 4.914 -7.110 6.293 1.00 0.51 H new ATOM 0 HD2 HIS A 67 8.615 -5.438 5.279 1.00 0.49 H new ATOM 0 HE1 HIS A 67 4.833 -4.683 7.029 1.00 0.54 H new ATOM 1007 N GLU A 68 9.449 -7.623 2.707 1.00 0.45 N ATOM 1008 CA GLU A 68 10.553 -6.826 2.163 1.00 0.45 C ATOM 1009 C GLU A 68 10.119 -6.104 0.887 1.00 0.42 C ATOM 1010 O GLU A 68 10.281 -4.892 0.772 1.00 0.41 O ATOM 1011 CB GLU A 68 11.773 -7.709 1.871 1.00 0.49 C ATOM 1012 CG GLU A 68 12.376 -8.350 3.111 1.00 1.43 C ATOM 1013 CD GLU A 68 13.305 -7.412 3.861 1.00 2.13 C ATOM 1014 OE1 GLU A 68 12.809 -6.632 4.701 1.00 2.59 O ATOM 1015 OE2 GLU A 68 14.527 -7.459 3.607 1.00 2.90 O ATOM 0 H GLU A 68 9.696 -8.586 2.933 1.00 0.45 H new ATOM 0 HA GLU A 68 10.830 -6.085 2.912 1.00 0.45 H new ATOM 0 HB2 GLU A 68 11.483 -8.494 1.172 1.00 0.49 H new ATOM 0 HB3 GLU A 68 12.536 -7.107 1.377 1.00 0.49 H new ATOM 0 HG2 GLU A 68 11.574 -8.670 3.776 1.00 1.43 H new ATOM 0 HG3 GLU A 68 12.926 -9.245 2.821 1.00 1.43 H new ATOM 1022 N GLU A 69 9.561 -6.861 -0.060 1.00 0.44 N ATOM 1023 CA GLU A 69 9.092 -6.299 -1.330 1.00 0.43 C ATOM 1024 C GLU A 69 8.024 -5.224 -1.100 1.00 0.41 C ATOM 1025 O GLU A 69 7.966 -4.236 -1.830 1.00 0.41 O ATOM 1026 CB GLU A 69 8.533 -7.403 -2.228 1.00 0.46 C ATOM 1027 CG GLU A 69 9.594 -8.354 -2.764 1.00 0.76 C ATOM 1028 CD GLU A 69 9.646 -9.665 -2.000 1.00 1.07 C ATOM 1029 OE1 GLU A 69 10.174 -9.674 -0.868 1.00 1.70 O ATOM 1030 OE2 GLU A 69 9.159 -10.682 -2.535 1.00 1.84 O ATOM 0 H GLU A 69 9.422 -7.868 0.028 1.00 0.44 H new ATOM 0 HA GLU A 69 9.946 -5.834 -1.823 1.00 0.43 H new ATOM 0 HB2 GLU A 69 7.795 -7.976 -1.667 1.00 0.46 H new ATOM 0 HB3 GLU A 69 8.010 -6.946 -3.068 1.00 0.46 H new ATOM 0 HG2 GLU A 69 9.394 -8.559 -3.816 1.00 0.76 H new ATOM 0 HG3 GLU A 69 10.569 -7.870 -2.713 1.00 0.76 H new ATOM 1037 N ALA A 70 7.195 -5.418 -0.069 1.00 0.41 N ATOM 1038 CA ALA A 70 6.143 -4.458 0.275 1.00 0.41 C ATOM 1039 C ALA A 70 6.745 -3.101 0.645 1.00 0.40 C ATOM 1040 O ALA A 70 6.258 -2.053 0.220 1.00 0.42 O ATOM 1041 CB ALA A 70 5.312 -4.987 1.436 1.00 0.44 C ATOM 0 H ALA A 70 7.233 -6.233 0.543 1.00 0.41 H new ATOM 0 HA ALA A 70 5.502 -4.327 -0.597 1.00 0.41 H new ATOM 0 HB1 ALA A 70 4.533 -4.266 1.684 1.00 0.44 H new ATOM 0 HB2 ALA A 70 4.853 -5.934 1.153 1.00 0.44 H new ATOM 0 HB3 ALA A 70 5.954 -5.140 2.303 1.00 0.44 H new ATOM 1047 N VAL A 71 7.818 -3.140 1.435 1.00 0.40 N ATOM 1048 CA VAL A 71 8.505 -1.928 1.872 1.00 0.42 C ATOM 1049 C VAL A 71 9.426 -1.389 0.777 1.00 0.41 C ATOM 1050 O VAL A 71 9.520 -0.178 0.581 1.00 0.42 O ATOM 1051 CB VAL A 71 9.329 -2.184 3.156 1.00 0.48 C ATOM 1052 CG1 VAL A 71 10.300 -1.041 3.427 1.00 0.52 C ATOM 1053 CG2 VAL A 71 8.408 -2.399 4.348 1.00 0.50 C ATOM 0 H VAL A 71 8.231 -4.004 1.786 1.00 0.40 H new ATOM 0 HA VAL A 71 7.737 -1.185 2.086 1.00 0.42 H new ATOM 0 HB VAL A 71 9.915 -3.090 3.002 1.00 0.48 H new ATOM 0 HG11 VAL A 71 10.864 -1.251 4.336 1.00 0.52 H new ATOM 0 HG12 VAL A 71 10.988 -0.941 2.588 1.00 0.52 H new ATOM 0 HG13 VAL A 71 9.743 -0.112 3.552 1.00 0.52 H new ATOM 0 HG21 VAL A 71 9.006 -2.578 5.242 1.00 0.50 H new ATOM 0 HG22 VAL A 71 7.791 -1.513 4.495 1.00 0.50 H new ATOM 0 HG23 VAL A 71 7.767 -3.261 4.162 1.00 0.50 H new ATOM 1063 N THR A 72 10.102 -2.297 0.070 1.00 0.43 N ATOM 1064 CA THR A 72 11.018 -1.919 -1.003 1.00 0.47 C ATOM 1065 C THR A 72 10.282 -1.234 -2.155 1.00 0.42 C ATOM 1066 O THR A 72 10.828 -0.338 -2.797 1.00 0.44 O ATOM 1067 CB THR A 72 11.771 -3.150 -1.520 1.00 0.53 C ATOM 1068 OG1 THR A 72 12.483 -3.779 -0.469 1.00 0.60 O ATOM 1069 CG2 THR A 72 12.768 -2.832 -2.617 1.00 0.61 C ATOM 0 H THR A 72 10.030 -3.303 0.224 1.00 0.43 H new ATOM 0 HA THR A 72 11.733 -1.208 -0.590 1.00 0.47 H new ATOM 0 HB THR A 72 11.001 -3.805 -1.929 1.00 0.53 H new ATOM 0 HG1 THR A 72 11.856 -4.265 0.106 1.00 0.60 H new ATOM 0 HG21 THR A 72 13.264 -3.749 -2.935 1.00 0.61 H new ATOM 0 HG22 THR A 72 12.247 -2.389 -3.465 1.00 0.61 H new ATOM 0 HG23 THR A 72 13.511 -2.129 -2.241 1.00 0.61 H new ATOM 1077 N ALA A 73 9.047 -1.664 -2.421 1.00 0.37 N ATOM 1078 CA ALA A 73 8.244 -1.097 -3.502 1.00 0.36 C ATOM 1079 C ALA A 73 7.650 0.244 -3.094 1.00 0.34 C ATOM 1080 O ALA A 73 7.589 1.173 -3.901 1.00 0.36 O ATOM 1081 CB ALA A 73 7.139 -2.065 -3.904 1.00 0.41 C ATOM 0 H ALA A 73 8.581 -2.406 -1.899 1.00 0.37 H new ATOM 0 HA ALA A 73 8.897 -0.932 -4.359 1.00 0.36 H new ATOM 0 HB1 ALA A 73 6.549 -1.629 -4.710 1.00 0.41 H new ATOM 0 HB2 ALA A 73 7.581 -3.002 -4.244 1.00 0.41 H new ATOM 0 HB3 ALA A 73 6.495 -2.258 -3.046 1.00 0.41 H new ATOM 1087 N LEU A 74 7.245 0.352 -1.827 1.00 0.33 N ATOM 1088 CA LEU A 74 6.692 1.595 -1.303 1.00 0.37 C ATOM 1089 C LEU A 74 7.788 2.646 -1.195 1.00 0.38 C ATOM 1090 O LEU A 74 7.558 3.835 -1.426 1.00 0.44 O ATOM 1091 CB LEU A 74 6.092 1.356 0.082 1.00 0.41 C ATOM 1092 CG LEU A 74 4.590 1.096 0.118 1.00 0.61 C ATOM 1093 CD1 LEU A 74 3.820 2.284 -0.439 1.00 1.73 C ATOM 1094 CD2 LEU A 74 4.242 -0.177 -0.641 1.00 1.13 C ATOM 0 H LEU A 74 7.291 -0.408 -1.148 1.00 0.33 H new ATOM 0 HA LEU A 74 5.915 1.945 -1.982 1.00 0.37 H new ATOM 0 HB2 LEU A 74 6.600 0.505 0.535 1.00 0.41 H new ATOM 0 HB3 LEU A 74 6.307 2.224 0.705 1.00 0.41 H new ATOM 0 HG LEU A 74 4.297 0.961 1.159 1.00 0.61 H new ATOM 0 HD11 LEU A 74 2.751 2.074 -0.403 1.00 1.73 H new ATOM 0 HD12 LEU A 74 4.036 3.170 0.158 1.00 1.73 H new ATOM 0 HD13 LEU A 74 4.120 2.460 -1.472 1.00 1.73 H new ATOM 0 HD21 LEU A 74 3.165 -0.341 -0.601 1.00 1.13 H new ATOM 0 HD22 LEU A 74 4.556 -0.078 -1.680 1.00 1.13 H new ATOM 0 HD23 LEU A 74 4.755 -1.024 -0.186 1.00 1.13 H new ATOM 1106 N LYS A 75 8.983 2.181 -0.838 1.00 0.38 N ATOM 1107 CA LYS A 75 10.142 3.063 -0.684 1.00 0.47 C ATOM 1108 C LYS A 75 10.822 3.363 -2.028 1.00 0.49 C ATOM 1109 O LYS A 75 11.530 4.364 -2.152 1.00 0.59 O ATOM 1110 CB LYS A 75 11.151 2.458 0.302 1.00 0.57 C ATOM 1111 CG LYS A 75 11.984 1.320 -0.272 1.00 0.64 C ATOM 1112 CD LYS A 75 13.471 1.567 -0.084 1.00 1.05 C ATOM 1113 CE LYS A 75 13.909 1.280 1.346 1.00 0.88 C ATOM 1114 NZ LYS A 75 14.455 2.493 2.016 1.00 1.44 N ATOM 0 H LYS A 75 9.176 1.197 -0.649 1.00 0.38 H new ATOM 0 HA LYS A 75 9.777 4.009 -0.285 1.00 0.47 H new ATOM 0 HB2 LYS A 75 11.821 3.245 0.646 1.00 0.57 H new ATOM 0 HB3 LYS A 75 10.612 2.093 1.177 1.00 0.57 H new ATOM 0 HG2 LYS A 75 11.706 0.384 0.212 1.00 0.64 H new ATOM 0 HG3 LYS A 75 11.764 1.207 -1.334 1.00 0.64 H new ATOM 0 HD2 LYS A 75 14.035 0.937 -0.772 1.00 1.05 H new ATOM 0 HD3 LYS A 75 13.704 2.602 -0.336 1.00 1.05 H new ATOM 0 HE2 LYS A 75 13.060 0.902 1.916 1.00 0.88 H new ATOM 0 HE3 LYS A 75 14.666 0.496 1.343 1.00 0.88 H new ATOM 0 HZ1 LYS A 75 14.741 2.254 2.987 1.00 1.44 H new ATOM 0 HZ2 LYS A 75 15.281 2.840 1.487 1.00 1.44 H new ATOM 0 HZ3 LYS A 75 13.725 3.233 2.043 1.00 1.44 H new ATOM 1128 N ASN A 76 10.609 2.498 -3.028 1.00 0.48 N ATOM 1129 CA ASN A 76 11.212 2.684 -4.352 1.00 0.59 C ATOM 1130 C ASN A 76 10.468 3.761 -5.150 1.00 0.69 C ATOM 1131 O ASN A 76 9.807 3.469 -6.151 1.00 1.15 O ATOM 1132 CB ASN A 76 11.223 1.356 -5.124 1.00 0.64 C ATOM 1133 CG ASN A 76 11.807 1.494 -6.520 1.00 0.85 C ATOM 1134 OD1 ASN A 76 11.181 1.100 -7.505 1.00 0.90 O ATOM 1135 ND2 ASN A 76 13.009 2.055 -6.615 1.00 1.55 N ATOM 0 H ASN A 76 10.026 1.666 -2.945 1.00 0.48 H new ATOM 0 HA ASN A 76 12.240 3.018 -4.213 1.00 0.59 H new ATOM 0 HB2 ASN A 76 11.800 0.620 -4.564 1.00 0.64 H new ATOM 0 HB3 ASN A 76 10.205 0.974 -5.197 1.00 0.64 H new ATOM 0 HD21 ASN A 76 13.446 2.172 -7.529 1.00 1.55 H new ATOM 0 HD22 ASN A 76 13.494 2.368 -5.774 1.00 1.55 H new ATOM 1142 N THR A 77 10.569 5.006 -4.687 1.00 0.90 N ATOM 1143 CA THR A 77 9.901 6.129 -5.338 1.00 1.07 C ATOM 1144 C THR A 77 10.879 7.276 -5.611 1.00 0.80 C ATOM 1145 O THR A 77 11.789 7.528 -4.819 1.00 1.47 O ATOM 1146 CB THR A 77 8.737 6.607 -4.466 1.00 2.00 C ATOM 1147 OG1 THR A 77 9.186 6.919 -3.156 1.00 2.60 O ATOM 1148 CG2 THR A 77 7.637 5.574 -4.338 1.00 2.53 C ATOM 0 H THR A 77 11.109 5.262 -3.861 1.00 0.90 H new ATOM 0 HA THR A 77 9.515 5.794 -6.301 1.00 1.07 H new ATOM 0 HB THR A 77 8.338 7.490 -4.965 1.00 2.00 H new ATOM 0 HG1 THR A 77 8.413 7.069 -2.572 1.00 2.60 H new ATOM 0 HG21 THR A 77 6.839 5.968 -3.709 1.00 2.53 H new ATOM 0 HG22 THR A 77 7.239 5.342 -5.326 1.00 2.53 H new ATOM 0 HG23 THR A 77 8.040 4.667 -3.887 1.00 2.53 H new ATOM 1156 N SER A 78 10.685 7.961 -6.742 1.00 1.14 N ATOM 1157 CA SER A 78 11.554 9.075 -7.128 1.00 1.74 C ATOM 1158 C SER A 78 10.762 10.375 -7.301 1.00 1.42 C ATOM 1159 O SER A 78 10.754 11.222 -6.408 1.00 1.44 O ATOM 1160 CB SER A 78 12.314 8.735 -8.416 1.00 2.76 C ATOM 1161 OG SER A 78 13.140 9.812 -8.825 1.00 3.36 O ATOM 0 H SER A 78 9.935 7.764 -7.405 1.00 1.14 H new ATOM 0 HA SER A 78 12.272 9.231 -6.323 1.00 1.74 H new ATOM 0 HB2 SER A 78 12.924 7.846 -8.257 1.00 2.76 H new ATOM 0 HB3 SER A 78 11.604 8.497 -9.208 1.00 2.76 H new ATOM 0 HG SER A 78 12.663 10.358 -9.484 1.00 3.36 H new ATOM 1167 N ASP A 79 10.111 10.537 -8.456 1.00 1.32 N ATOM 1168 CA ASP A 79 9.332 11.744 -8.738 1.00 1.18 C ATOM 1169 C ASP A 79 7.857 11.538 -8.400 1.00 0.99 C ATOM 1170 O ASP A 79 7.262 12.332 -7.666 1.00 0.92 O ATOM 1171 CB ASP A 79 9.481 12.142 -10.209 1.00 1.46 C ATOM 1172 CG ASP A 79 10.897 12.566 -10.553 1.00 1.61 C ATOM 1173 OD1 ASP A 79 11.710 11.688 -10.908 1.00 2.07 O ATOM 1174 OD2 ASP A 79 11.192 13.777 -10.465 1.00 2.23 O ATOM 0 H ASP A 79 10.108 9.849 -9.209 1.00 1.32 H new ATOM 0 HA ASP A 79 9.718 12.547 -8.110 1.00 1.18 H new ATOM 0 HB2 ASP A 79 9.193 11.302 -10.841 1.00 1.46 H new ATOM 0 HB3 ASP A 79 8.795 12.959 -10.433 1.00 1.46 H new ATOM 1179 N PHE A 80 7.275 10.465 -8.933 1.00 0.97 N ATOM 1180 CA PHE A 80 5.873 10.147 -8.683 1.00 0.85 C ATOM 1181 C PHE A 80 5.728 8.758 -8.079 1.00 0.82 C ATOM 1182 O PHE A 80 6.697 7.998 -8.009 1.00 0.92 O ATOM 1183 CB PHE A 80 5.058 10.252 -9.973 1.00 0.92 C ATOM 1184 CG PHE A 80 3.953 11.258 -9.874 1.00 0.94 C ATOM 1185 CD1 PHE A 80 2.717 10.892 -9.372 1.00 1.39 C ATOM 1186 CD2 PHE A 80 4.157 12.571 -10.263 1.00 1.68 C ATOM 1187 CE1 PHE A 80 1.701 11.817 -9.260 1.00 1.43 C ATOM 1188 CE2 PHE A 80 3.145 13.502 -10.150 1.00 1.77 C ATOM 1189 CZ PHE A 80 1.915 13.122 -9.648 1.00 1.14 C ATOM 0 H PHE A 80 7.755 9.801 -9.541 1.00 0.97 H new ATOM 0 HA PHE A 80 5.487 10.873 -7.967 1.00 0.85 H new ATOM 0 HB2 PHE A 80 5.720 10.524 -10.796 1.00 0.92 H new ATOM 0 HB3 PHE A 80 4.636 9.276 -10.213 1.00 0.92 H new ATOM 0 HD1 PHE A 80 2.546 9.871 -9.065 1.00 1.39 H new ATOM 0 HD2 PHE A 80 5.117 12.869 -10.658 1.00 1.68 H new ATOM 0 HE1 PHE A 80 0.739 11.520 -8.869 1.00 1.43 H new ATOM 0 HE2 PHE A 80 3.314 14.525 -10.453 1.00 1.77 H new ATOM 0 HZ PHE A 80 1.121 13.848 -9.560 1.00 1.14 H new ATOM 1199 N VAL A 81 4.514 8.426 -7.641 1.00 0.75 N ATOM 1200 CA VAL A 81 4.233 7.130 -7.042 1.00 0.77 C ATOM 1201 C VAL A 81 2.862 6.639 -7.502 1.00 0.65 C ATOM 1202 O VAL A 81 1.851 7.299 -7.248 1.00 0.59 O ATOM 1203 CB VAL A 81 4.242 7.228 -5.500 1.00 0.88 C ATOM 1204 CG1 VAL A 81 3.877 5.895 -4.864 1.00 1.19 C ATOM 1205 CG2 VAL A 81 5.592 7.722 -5.000 1.00 1.58 C ATOM 0 H VAL A 81 3.706 9.046 -7.693 1.00 0.75 H new ATOM 0 HA VAL A 81 5.006 6.430 -7.358 1.00 0.77 H new ATOM 0 HB VAL A 81 3.485 7.954 -5.203 1.00 0.88 H new ATOM 0 HG11 VAL A 81 3.891 5.994 -3.779 1.00 1.19 H new ATOM 0 HG12 VAL A 81 2.880 5.598 -5.188 1.00 1.19 H new ATOM 0 HG13 VAL A 81 4.598 5.137 -5.169 1.00 1.19 H new ATOM 0 HG21 VAL A 81 5.577 7.784 -3.912 1.00 1.58 H new ATOM 0 HG22 VAL A 81 6.372 7.028 -5.313 1.00 1.58 H new ATOM 0 HG23 VAL A 81 5.795 8.709 -5.416 1.00 1.58 H new ATOM 1215 N TYR A 82 2.821 5.490 -8.174 1.00 0.72 N ATOM 1216 CA TYR A 82 1.552 4.950 -8.651 1.00 0.69 C ATOM 1217 C TYR A 82 1.076 3.814 -7.755 1.00 0.67 C ATOM 1218 O TYR A 82 1.533 2.674 -7.868 1.00 0.77 O ATOM 1219 CB TYR A 82 1.679 4.467 -10.096 1.00 0.85 C ATOM 1220 CG TYR A 82 0.359 4.384 -10.822 1.00 0.93 C ATOM 1221 CD1 TYR A 82 -0.425 3.245 -10.734 1.00 1.57 C ATOM 1222 CD2 TYR A 82 -0.103 5.443 -11.593 1.00 1.41 C ATOM 1223 CE1 TYR A 82 -1.632 3.158 -11.394 1.00 1.72 C ATOM 1224 CE2 TYR A 82 -1.311 5.366 -12.257 1.00 1.55 C ATOM 1225 CZ TYR A 82 -2.072 4.220 -12.154 1.00 1.33 C ATOM 1226 OH TYR A 82 -3.279 4.139 -12.813 1.00 1.58 O ATOM 0 H TYR A 82 3.639 4.923 -8.397 1.00 0.72 H new ATOM 0 HA TYR A 82 0.812 5.750 -8.616 1.00 0.69 H new ATOM 0 HB2 TYR A 82 2.341 5.141 -10.639 1.00 0.85 H new ATOM 0 HB3 TYR A 82 2.150 3.484 -10.102 1.00 0.85 H new ATOM 0 HD1 TYR A 82 -0.085 2.411 -10.138 1.00 1.57 H new ATOM 0 HD2 TYR A 82 0.492 6.341 -11.674 1.00 1.41 H new ATOM 0 HE1 TYR A 82 -2.230 2.262 -11.316 1.00 1.72 H new ATOM 0 HE2 TYR A 82 -1.658 6.197 -12.853 1.00 1.55 H new ATOM 0 HH TYR A 82 -3.841 3.461 -12.384 1.00 1.58 H new ATOM 1236 N LEU A 83 0.165 4.153 -6.850 1.00 0.62 N ATOM 1237 CA LEU A 83 -0.378 3.188 -5.903 1.00 0.65 C ATOM 1238 C LEU A 83 -1.545 2.408 -6.503 1.00 0.66 C ATOM 1239 O LEU A 83 -2.540 2.991 -6.936 1.00 0.71 O ATOM 1240 CB LEU A 83 -0.828 3.908 -4.628 1.00 0.74 C ATOM 1241 CG LEU A 83 -1.200 2.994 -3.458 1.00 0.74 C ATOM 1242 CD1 LEU A 83 -0.077 2.951 -2.431 1.00 1.34 C ATOM 1243 CD2 LEU A 83 -2.497 3.462 -2.816 1.00 1.38 C ATOM 0 H LEU A 83 -0.215 5.095 -6.753 1.00 0.62 H new ATOM 0 HA LEU A 83 0.409 2.474 -5.661 1.00 0.65 H new ATOM 0 HB2 LEU A 83 -0.029 4.576 -4.306 1.00 0.74 H new ATOM 0 HB3 LEU A 83 -1.688 4.533 -4.868 1.00 0.74 H new ATOM 0 HG LEU A 83 -1.347 1.984 -3.841 1.00 0.74 H new ATOM 0 HD11 LEU A 83 -0.362 2.296 -1.608 1.00 1.34 H new ATOM 0 HD12 LEU A 83 0.831 2.571 -2.900 1.00 1.34 H new ATOM 0 HD13 LEU A 83 0.105 3.955 -2.049 1.00 1.34 H new ATOM 0 HD21 LEU A 83 -2.750 2.803 -1.985 1.00 1.38 H new ATOM 0 HD22 LEU A 83 -2.374 4.480 -2.447 1.00 1.38 H new ATOM 0 HD23 LEU A 83 -3.298 3.438 -3.555 1.00 1.38 H new ATOM 1255 N LYS A 84 -1.421 1.079 -6.496 1.00 0.66 N ATOM 1256 CA LYS A 84 -2.468 0.199 -7.006 1.00 0.68 C ATOM 1257 C LYS A 84 -3.057 -0.601 -5.856 1.00 0.65 C ATOM 1258 O LYS A 84 -2.387 -1.458 -5.286 1.00 0.68 O ATOM 1259 CB LYS A 84 -1.928 -0.736 -8.094 1.00 0.69 C ATOM 1260 CG LYS A 84 -1.488 -0.014 -9.358 1.00 0.76 C ATOM 1261 CD LYS A 84 -2.390 -0.349 -10.537 1.00 0.99 C ATOM 1262 CE LYS A 84 -3.813 0.138 -10.309 1.00 1.18 C ATOM 1263 NZ LYS A 84 -4.479 0.533 -11.582 1.00 1.56 N ATOM 0 H LYS A 84 -0.600 0.589 -6.140 1.00 0.66 H new ATOM 0 HA LYS A 84 -3.249 0.810 -7.460 1.00 0.68 H new ATOM 0 HB2 LYS A 84 -1.083 -1.296 -7.693 1.00 0.69 H new ATOM 0 HB3 LYS A 84 -2.698 -1.463 -8.351 1.00 0.69 H new ATOM 0 HG2 LYS A 84 -1.498 1.062 -9.185 1.00 0.76 H new ATOM 0 HG3 LYS A 84 -0.460 -0.289 -9.596 1.00 0.76 H new ATOM 0 HD2 LYS A 84 -1.990 0.106 -11.443 1.00 0.99 H new ATOM 0 HD3 LYS A 84 -2.395 -1.427 -10.697 1.00 0.99 H new ATOM 0 HE2 LYS A 84 -4.392 -0.649 -9.826 1.00 1.18 H new ATOM 0 HE3 LYS A 84 -3.800 0.989 -9.628 1.00 1.18 H new ATOM 0 HZ1 LYS A 84 -5.446 0.858 -11.381 1.00 1.56 H new ATOM 0 HZ2 LYS A 84 -3.941 1.302 -12.031 1.00 1.56 H new ATOM 0 HZ3 LYS A 84 -4.515 -0.285 -12.223 1.00 1.56 H new ATOM 1277 N VAL A 85 -4.300 -0.289 -5.497 1.00 0.76 N ATOM 1278 CA VAL A 85 -4.970 -0.961 -4.389 1.00 0.74 C ATOM 1279 C VAL A 85 -6.051 -1.920 -4.888 1.00 0.91 C ATOM 1280 O VAL A 85 -6.840 -1.579 -5.770 1.00 1.17 O ATOM 1281 CB VAL A 85 -5.602 0.071 -3.419 1.00 0.99 C ATOM 1282 CG1 VAL A 85 -6.345 -0.612 -2.278 1.00 1.92 C ATOM 1283 CG2 VAL A 85 -4.537 1.010 -2.870 1.00 0.65 C ATOM 0 H VAL A 85 -4.863 0.426 -5.958 1.00 0.76 H new ATOM 0 HA VAL A 85 -4.213 -1.537 -3.857 1.00 0.74 H new ATOM 0 HB VAL A 85 -6.328 0.653 -3.987 1.00 0.99 H new ATOM 0 HG11 VAL A 85 -6.774 0.143 -1.620 1.00 1.92 H new ATOM 0 HG12 VAL A 85 -7.142 -1.235 -2.684 1.00 1.92 H new ATOM 0 HG13 VAL A 85 -5.651 -1.234 -1.713 1.00 1.92 H new ATOM 0 HG21 VAL A 85 -4.999 1.727 -2.191 1.00 0.65 H new ATOM 0 HG22 VAL A 85 -3.786 0.433 -2.331 1.00 0.65 H new ATOM 0 HG23 VAL A 85 -4.063 1.544 -3.694 1.00 0.65 H new ATOM 1293 N ALA A 86 -6.078 -3.121 -4.308 1.00 0.91 N ATOM 1294 CA ALA A 86 -7.060 -4.137 -4.681 1.00 1.24 C ATOM 1295 C ALA A 86 -8.369 -3.929 -3.921 1.00 1.27 C ATOM 1296 O ALA A 86 -8.363 -3.528 -2.756 1.00 1.09 O ATOM 1297 CB ALA A 86 -6.506 -5.532 -4.420 1.00 1.46 C ATOM 0 H ALA A 86 -5.429 -3.413 -3.577 1.00 0.91 H new ATOM 0 HA ALA A 86 -7.266 -4.040 -5.747 1.00 1.24 H new ATOM 0 HB1 ALA A 86 -7.249 -6.277 -4.703 1.00 1.46 H new ATOM 0 HB2 ALA A 86 -5.601 -5.680 -5.009 1.00 1.46 H new ATOM 0 HB3 ALA A 86 -6.271 -5.638 -3.361 1.00 1.46 H new ATOM 1303 N LYS A 87 -9.491 -4.198 -4.592 1.00 1.68 N ATOM 1304 CA LYS A 87 -10.808 -4.031 -3.982 1.00 1.86 C ATOM 1305 C LYS A 87 -11.433 -5.384 -3.635 1.00 1.91 C ATOM 1306 O LYS A 87 -11.816 -6.148 -4.524 1.00 2.04 O ATOM 1307 CB LYS A 87 -11.731 -3.249 -4.921 1.00 2.22 C ATOM 1308 CG LYS A 87 -12.564 -2.192 -4.214 1.00 2.53 C ATOM 1309 CD LYS A 87 -14.023 -2.607 -4.111 1.00 2.89 C ATOM 1310 CE LYS A 87 -14.779 -1.748 -3.110 1.00 3.28 C ATOM 1311 NZ LYS A 87 -16.250 -1.791 -3.336 1.00 4.20 N ATOM 0 H LYS A 87 -9.512 -4.532 -5.556 1.00 1.68 H new ATOM 0 HA LYS A 87 -10.682 -3.469 -3.056 1.00 1.86 H new ATOM 0 HB2 LYS A 87 -11.129 -2.769 -5.692 1.00 2.22 H new ATOM 0 HB3 LYS A 87 -12.398 -3.948 -5.426 1.00 2.22 H new ATOM 0 HG2 LYS A 87 -12.163 -2.019 -3.215 1.00 2.53 H new ATOM 0 HG3 LYS A 87 -12.491 -1.248 -4.755 1.00 2.53 H new ATOM 0 HD2 LYS A 87 -14.495 -2.526 -5.090 1.00 2.89 H new ATOM 0 HD3 LYS A 87 -14.084 -3.654 -3.813 1.00 2.89 H new ATOM 0 HE2 LYS A 87 -14.558 -2.090 -2.099 1.00 3.28 H new ATOM 0 HE3 LYS A 87 -14.431 -0.717 -3.181 1.00 3.28 H new ATOM 0 HZ1 LYS A 87 -16.727 -1.192 -2.632 1.00 4.20 H new ATOM 0 HZ2 LYS A 87 -16.465 -1.441 -4.291 1.00 4.20 H new ATOM 0 HZ3 LYS A 87 -16.587 -2.770 -3.243 1.00 4.20 H new ATOM 1325 N PRO A 88 -11.548 -5.697 -2.327 1.00 1.88 N ATOM 1326 CA PRO A 88 -12.133 -6.961 -1.858 1.00 2.01 C ATOM 1327 C PRO A 88 -13.645 -7.018 -2.071 1.00 2.20 C ATOM 1328 O PRO A 88 -14.325 -5.989 -2.044 1.00 2.28 O ATOM 1329 CB PRO A 88 -11.796 -6.975 -0.366 1.00 1.98 C ATOM 1330 CG PRO A 88 -11.676 -5.538 0.007 1.00 1.91 C ATOM 1331 CD PRO A 88 -11.121 -4.839 -1.204 1.00 1.79 C ATOM 0 HA PRO A 88 -11.741 -7.820 -2.403 1.00 2.01 H new ATOM 0 HB2 PRO A 88 -12.576 -7.470 0.212 1.00 1.98 H new ATOM 0 HB3 PRO A 88 -10.867 -7.513 -0.175 1.00 1.98 H new ATOM 0 HG2 PRO A 88 -12.646 -5.125 0.285 1.00 1.91 H new ATOM 0 HG3 PRO A 88 -11.017 -5.412 0.866 1.00 1.91 H new ATOM 0 HD2 PRO A 88 -11.516 -3.828 -1.299 1.00 1.79 H new ATOM 0 HD3 PRO A 88 -10.035 -4.754 -1.155 1.00 1.79 H new ATOM 1339 N THR A 89 -14.165 -8.228 -2.282 1.00 2.38 N ATOM 1340 CA THR A 89 -15.597 -8.425 -2.504 1.00 2.59 C ATOM 1341 C THR A 89 -16.146 -9.528 -1.597 1.00 2.77 C ATOM 1342 O THR A 89 -17.007 -9.271 -0.751 1.00 3.51 O ATOM 1343 CB THR A 89 -15.864 -8.761 -3.976 1.00 3.08 C ATOM 1344 OG1 THR A 89 -15.211 -7.837 -4.832 1.00 3.51 O ATOM 1345 CG2 THR A 89 -17.335 -8.758 -4.339 1.00 3.88 C ATOM 0 H THR A 89 -13.615 -9.087 -2.304 1.00 2.38 H new ATOM 0 HA THR A 89 -16.111 -7.497 -2.256 1.00 2.59 H new ATOM 0 HB THR A 89 -15.475 -9.770 -4.111 1.00 3.08 H new ATOM 0 HG1 THR A 89 -15.393 -8.071 -5.766 1.00 3.51 H new ATOM 0 HG21 THR A 89 -17.450 -9.004 -5.395 1.00 3.88 H new ATOM 0 HG22 THR A 89 -17.860 -9.498 -3.735 1.00 3.88 H new ATOM 0 HG23 THR A 89 -17.755 -7.770 -4.149 1.00 3.88 H new ATOM 1353 N GLY A 90 -15.645 -10.752 -1.777 1.00 2.75 N ATOM 1354 CA GLY A 90 -16.100 -11.870 -0.967 1.00 3.54 C ATOM 1355 C GLY A 90 -15.655 -13.212 -1.521 1.00 4.20 C ATOM 1356 O GLY A 90 -16.253 -13.725 -2.469 1.00 4.69 O ATOM 0 H GLY A 90 -14.933 -10.987 -2.469 1.00 2.75 H new ATOM 0 HA2 GLY A 90 -15.720 -11.756 0.048 1.00 3.54 H new ATOM 0 HA3 GLY A 90 -17.188 -11.850 -0.905 1.00 3.54 H new ATOM 1360 N SER A 91 -14.605 -13.780 -0.927 1.00 4.69 N ATOM 1361 CA SER A 91 -14.076 -15.074 -1.363 1.00 5.64 C ATOM 1362 C SER A 91 -14.959 -16.225 -0.877 1.00 5.73 C ATOM 1363 O SER A 91 -15.189 -17.189 -1.609 1.00 6.47 O ATOM 1364 CB SER A 91 -12.645 -15.264 -0.856 1.00 6.57 C ATOM 1365 OG SER A 91 -11.883 -16.048 -1.758 1.00 7.06 O ATOM 0 H SER A 91 -14.103 -13.365 -0.142 1.00 4.69 H new ATOM 0 HA SER A 91 -14.072 -15.082 -2.453 1.00 5.64 H new ATOM 0 HB2 SER A 91 -12.171 -14.292 -0.724 1.00 6.57 H new ATOM 0 HB3 SER A 91 -12.663 -15.745 0.122 1.00 6.57 H new ATOM 0 HG SER A 91 -10.972 -16.153 -1.412 1.00 7.06 H new ATOM 1371 N HIS A 92 -15.451 -16.116 0.360 1.00 5.26 N ATOM 1372 CA HIS A 92 -16.308 -17.148 0.942 1.00 5.60 C ATOM 1373 C HIS A 92 -17.703 -17.112 0.325 1.00 5.37 C ATOM 1374 O HIS A 92 -18.013 -17.887 -0.580 1.00 5.46 O ATOM 1375 CB HIS A 92 -16.409 -16.967 2.460 1.00 5.86 C ATOM 1376 CG HIS A 92 -15.113 -17.187 3.180 1.00 6.59 C ATOM 1377 ND1 HIS A 92 -14.783 -18.376 3.795 1.00 7.09 N ATOM 1378 CD2 HIS A 92 -14.061 -16.358 3.384 1.00 7.14 C ATOM 1379 CE1 HIS A 92 -13.587 -18.269 4.345 1.00 7.83 C ATOM 1380 NE2 HIS A 92 -13.127 -17.055 4.110 1.00 7.84 N ATOM 0 H HIS A 92 -15.270 -15.324 0.976 1.00 5.26 H new ATOM 0 HA HIS A 92 -15.857 -18.117 0.727 1.00 5.60 H new ATOM 0 HB2 HIS A 92 -16.767 -15.960 2.674 1.00 5.86 H new ATOM 0 HB3 HIS A 92 -17.154 -17.660 2.851 1.00 5.86 H new ATOM 0 HD2 HIS A 92 -13.973 -15.338 3.039 1.00 7.14 H new ATOM 0 HE1 HIS A 92 -13.073 -19.044 4.894 1.00 7.83 H new ATOM 0 HE2 HIS A 92 -12.224 -16.693 4.418 1.00 7.84 H new TER 1389 HIS A 92 ATOM 1390 N ARG B 301 2.527 -12.549 11.187 1.00 1.88 N ATOM 1391 CA ARG B 301 2.110 -11.129 11.016 1.00 1.27 C ATOM 1392 C ARG B 301 3.226 -10.166 11.422 1.00 1.29 C ATOM 1393 O ARG B 301 3.845 -10.326 12.475 1.00 2.06 O ATOM 1394 CB ARG B 301 0.851 -10.869 11.855 1.00 1.61 C ATOM 1395 CG ARG B 301 0.949 -11.348 13.298 1.00 2.13 C ATOM 1396 CD ARG B 301 0.306 -12.716 13.480 1.00 2.72 C ATOM 1397 NE ARG B 301 -0.745 -12.699 14.499 1.00 3.09 N ATOM 1398 CZ ARG B 301 -2.020 -12.373 14.260 1.00 3.70 C ATOM 1399 NH1 ARG B 301 -2.414 -12.028 13.037 1.00 4.18 N ATOM 1400 NH2 ARG B 301 -2.904 -12.392 15.253 1.00 4.22 N ATOM 0 HA ARG B 301 1.894 -10.954 9.962 1.00 1.27 H new ATOM 0 HB2 ARG B 301 0.642 -9.799 11.853 1.00 1.61 H new ATOM 0 HB3 ARG B 301 0.003 -11.360 11.378 1.00 1.61 H new ATOM 0 HG2 ARG B 301 1.996 -11.395 13.596 1.00 2.13 H new ATOM 0 HG3 ARG B 301 0.463 -10.627 13.955 1.00 2.13 H new ATOM 0 HD2 ARG B 301 -0.115 -13.047 12.531 1.00 2.72 H new ATOM 0 HD3 ARG B 301 1.070 -13.441 13.760 1.00 2.72 H new ATOM 0 HE ARG B 301 -0.488 -12.952 15.453 1.00 3.09 H new ATOM 0 HH11 ARG B 301 -1.741 -12.010 12.270 1.00 4.18 H new ATOM 0 HH12 ARG B 301 -3.389 -11.781 12.866 1.00 4.18 H new ATOM 0 HH21 ARG B 301 -2.609 -12.655 16.193 1.00 4.22 H new ATOM 0 HH22 ARG B 301 -3.877 -12.144 15.074 1.00 4.22 H new ATOM 1416 N ARG B 302 3.474 -9.166 10.575 1.00 1.12 N ATOM 1417 CA ARG B 302 4.513 -8.171 10.834 1.00 1.03 C ATOM 1418 C ARG B 302 4.204 -6.860 10.114 1.00 1.02 C ATOM 1419 O ARG B 302 3.789 -6.860 8.953 1.00 1.45 O ATOM 1420 CB ARG B 302 5.880 -8.699 10.393 1.00 1.13 C ATOM 1421 CG ARG B 302 7.024 -7.727 10.645 1.00 1.12 C ATOM 1422 CD ARG B 302 8.377 -8.414 10.530 1.00 1.50 C ATOM 1423 NE ARG B 302 8.594 -9.385 11.603 1.00 2.09 N ATOM 1424 CZ ARG B 302 8.965 -9.061 12.845 1.00 2.72 C ATOM 1425 NH1 ARG B 302 9.159 -7.789 13.185 1.00 2.99 N ATOM 1426 NH2 ARG B 302 9.140 -10.016 13.754 1.00 3.57 N ATOM 0 H ARG B 302 2.967 -9.024 9.701 1.00 1.12 H new ATOM 0 HA ARG B 302 4.536 -7.979 11.907 1.00 1.03 H new ATOM 0 HB2 ARG B 302 6.086 -9.632 10.918 1.00 1.13 H new ATOM 0 HB3 ARG B 302 5.843 -8.934 9.329 1.00 1.13 H new ATOM 0 HG2 ARG B 302 6.970 -6.907 9.929 1.00 1.12 H new ATOM 0 HG3 ARG B 302 6.920 -7.291 11.638 1.00 1.12 H new ATOM 0 HD2 ARG B 302 8.446 -8.918 9.566 1.00 1.50 H new ATOM 0 HD3 ARG B 302 9.167 -7.664 10.555 1.00 1.50 H new ATOM 0 HE ARG B 302 8.453 -10.372 11.389 1.00 2.09 H new ATOM 0 HH11 ARG B 302 9.025 -7.050 12.495 1.00 2.99 H new ATOM 0 HH12 ARG B 302 9.442 -7.553 14.136 1.00 2.99 H new ATOM 0 HH21 ARG B 302 8.991 -10.993 13.502 1.00 3.57 H new ATOM 0 HH22 ARG B 302 9.423 -9.771 14.703 1.00 3.57 H new ATOM 1440 N GLU B 303 4.415 -5.746 10.812 1.00 0.69 N ATOM 1441 CA GLU B 303 4.164 -4.421 10.249 1.00 0.66 C ATOM 1442 C GLU B 303 5.425 -3.562 10.303 1.00 0.71 C ATOM 1443 O GLU B 303 6.244 -3.703 11.215 1.00 1.16 O ATOM 1444 CB GLU B 303 3.027 -3.723 11.005 1.00 0.71 C ATOM 1445 CG GLU B 303 1.797 -4.597 11.215 1.00 1.12 C ATOM 1446 CD GLU B 303 1.837 -5.368 12.522 1.00 1.54 C ATOM 1447 OE1 GLU B 303 1.695 -4.734 13.591 1.00 2.08 O ATOM 1448 OE2 GLU B 303 2.009 -6.605 12.478 1.00 1.99 O ATOM 0 H GLU B 303 4.760 -5.735 11.772 1.00 0.69 H new ATOM 0 HA GLU B 303 3.872 -4.548 9.207 1.00 0.66 H new ATOM 0 HB2 GLU B 303 3.397 -3.395 11.976 1.00 0.71 H new ATOM 0 HB3 GLU B 303 2.735 -2.828 10.456 1.00 0.71 H new ATOM 0 HG2 GLU B 303 0.905 -3.971 11.195 1.00 1.12 H new ATOM 0 HG3 GLU B 303 1.711 -5.300 10.387 1.00 1.12 H new ATOM 1455 N THR B 304 5.576 -2.675 9.321 1.00 0.55 N ATOM 1456 CA THR B 304 6.741 -1.794 9.252 1.00 0.55 C ATOM 1457 C THR B 304 6.395 -0.487 8.539 1.00 0.53 C ATOM 1458 O THR B 304 5.657 -0.484 7.552 1.00 0.54 O ATOM 1459 CB THR B 304 7.898 -2.515 8.545 1.00 0.55 C ATOM 1460 OG1 THR B 304 8.821 -3.025 9.491 1.00 0.65 O ATOM 1461 CG2 THR B 304 8.672 -1.648 7.574 1.00 0.56 C ATOM 0 H THR B 304 4.906 -2.547 8.562 1.00 0.55 H new ATOM 0 HA THR B 304 7.052 -1.544 10.266 1.00 0.55 H new ATOM 0 HB THR B 304 7.420 -3.312 7.976 1.00 0.55 H new ATOM 0 HG1 THR B 304 8.335 -3.369 10.269 1.00 0.65 H new ATOM 0 HG21 THR B 304 9.470 -2.235 7.119 1.00 0.56 H new ATOM 0 HG22 THR B 304 8.001 -1.284 6.796 1.00 0.56 H new ATOM 0 HG23 THR B 304 9.103 -0.800 8.107 1.00 0.56 H new ATOM 1469 N GLN B 305 6.940 0.622 9.044 1.00 0.58 N ATOM 1470 CA GLN B 305 6.695 1.936 8.455 1.00 0.60 C ATOM 1471 C GLN B 305 7.542 2.147 7.206 1.00 0.58 C ATOM 1472 O GLN B 305 8.626 1.574 7.070 1.00 0.74 O ATOM 1473 CB GLN B 305 6.970 3.048 9.468 1.00 0.76 C ATOM 1474 CG GLN B 305 5.760 3.404 10.320 1.00 0.89 C ATOM 1475 CD GLN B 305 6.113 4.257 11.526 1.00 1.13 C ATOM 1476 OE1 GLN B 305 7.276 4.350 11.921 1.00 1.67 O ATOM 1477 NE2 GLN B 305 5.106 4.887 12.123 1.00 1.50 N ATOM 0 H GLN B 305 7.553 0.634 9.859 1.00 0.58 H new ATOM 0 HA GLN B 305 5.644 1.975 8.169 1.00 0.60 H new ATOM 0 HB2 GLN B 305 7.787 2.740 10.121 1.00 0.76 H new ATOM 0 HB3 GLN B 305 7.305 3.939 8.936 1.00 0.76 H new ATOM 0 HG2 GLN B 305 5.034 3.936 9.706 1.00 0.89 H new ATOM 0 HG3 GLN B 305 5.279 2.487 10.659 1.00 0.89 H new ATOM 0 HE21 GLN B 305 4.156 4.784 11.765 1.00 1.50 H new ATOM 0 HE22 GLN B 305 5.283 5.473 12.939 1.00 1.50 H new ATOM 1486 N VAL B 306 7.031 2.967 6.293 1.00 0.58 N ATOM 1487 CA VAL B 306 7.721 3.260 5.041 1.00 0.63 C ATOM 1488 C VAL B 306 7.607 4.740 4.667 1.00 0.77 C ATOM 1489 O VAL B 306 6.622 5.389 5.084 1.00 1.47 O ATOM 1490 CB VAL B 306 7.162 2.395 3.890 1.00 0.54 C ATOM 1491 CG1 VAL B 306 7.583 0.942 4.064 1.00 0.51 C ATOM 1492 CG2 VAL B 306 5.644 2.511 3.816 1.00 0.49 C ATOM 1493 OXT VAL B 306 8.507 5.240 3.960 1.00 1.14 O ATOM 0 H VAL B 306 6.135 3.443 6.398 1.00 0.58 H new ATOM 0 HA VAL B 306 8.774 3.022 5.193 1.00 0.63 H new ATOM 0 HB VAL B 306 7.576 2.763 2.951 1.00 0.54 H new ATOM 0 HG11 VAL B 306 7.181 0.346 3.245 1.00 0.51 H new ATOM 0 HG12 VAL B 306 8.671 0.876 4.061 1.00 0.51 H new ATOM 0 HG13 VAL B 306 7.199 0.563 5.011 1.00 0.51 H new ATOM 0 HG21 VAL B 306 5.271 1.894 2.998 1.00 0.49 H new ATOM 0 HG22 VAL B 306 5.207 2.172 4.755 1.00 0.49 H new ATOM 0 HG23 VAL B 306 5.367 3.551 3.641 1.00 0.49 H new TER 1503 VAL B 306