USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 29 LYS NZ :NH3+ -156:sc= 0.0029 (180deg=-0.0197) USER MOD Set 1.2: A 33 GLN : amide:sc= 0.779 K(o=0.78,f=-0.33) USER MOD Single : A 0 GLN : amide:sc= 0.753 K(o=0.75,f=-5!) USER MOD Single : A 1 LYS NZ :NH3+ 160:sc= 0.648 (180deg=0.448) USER MOD Single : A 2 SER OG : rot 65:sc= 0.877 USER MOD Single : A 7 LYS NZ :NH3+ -111:sc= 0.195 (180deg=-0.0426) USER MOD Single : A 8 SER OG : rot 69:sc= 1.13 USER MOD Single : A -2 SER N :NH3+ 135:sc= 0.856 (180deg=0.0844) USER MOD Single : A -2 SER OG : rot 130:sc= 0.227 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.65) USER MOD Single : A 22 GLN : amide:sc= 1.19 K(o=1.2,f=-2.4!) USER MOD Single : A 24 SER OG : rot -126:sc= 1.8 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0.834 (180deg=0.554) USER MOD Single : A 45 THR OG1 : rot -126:sc= 0.501 USER MOD Single : A 51 GLN : amide:sc= 1.26 K(o=1.3,f=-4.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.11 K(o=1.1,f=-0.056) USER MOD Single : A 62 SER OG : rot -65:sc= 0.233 USER MOD Single : A 67 GLN : amide:sc= 0.618 K(o=0.62,f=-0.0019) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0578) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 64:sc= 0.527 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 -2.111 21.926 -0.049 1.00 0.00 N ATOM 2 CA SER A -2 -1.348 21.612 -1.261 1.00 0.00 C ATOM 3 C SER A -2 -2.239 20.787 -2.174 1.00 0.00 C ATOM 4 O SER A -2 -3.301 20.377 -1.707 1.00 0.00 O ATOM 5 CB SER A -2 -0.111 20.817 -0.837 1.00 0.00 C ATOM 6 OG SER A -2 0.227 21.243 0.475 1.00 0.00 O ATOM 0 H1 SER A -2 -1.514 21.767 0.788 1.00 0.00 H new ATOM 0 H2 SER A -2 -2.411 22.921 -0.076 1.00 0.00 H new ATOM 0 H3 SER A -2 -2.949 21.313 0.002 1.00 0.00 H new ATOM 0 HA SER A -2 -1.032 22.509 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A -2 -0.316 19.747 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A -2 0.716 20.994 -1.525 1.00 0.00 H new ATOM 0 HG SER A -2 0.345 20.460 1.053 1.00 0.00 H new ATOM 14 N ALA A -1 -1.818 20.545 -3.417 1.00 0.00 N ATOM 15 CA ALA A -1 -2.561 19.705 -4.347 1.00 0.00 C ATOM 16 C ALA A -1 -2.176 18.249 -4.050 1.00 0.00 C ATOM 17 O ALA A -1 -1.883 17.917 -2.900 1.00 0.00 O ATOM 18 CB ALA A -1 -2.228 20.141 -5.780 1.00 0.00 C ATOM 0 H ALA A -1 -0.954 20.927 -3.803 1.00 0.00 H new ATOM 0 HA ALA A -1 -3.641 19.802 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.778 19.520 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.511 21.185 -5.918 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.158 20.029 -5.955 1.00 0.00 H new ATOM 24 N GLN A 0 -2.150 17.377 -5.061 1.00 0.00 N ATOM 25 CA GLN A 0 -1.752 15.989 -4.882 1.00 0.00 C ATOM 26 C GLN A 0 -0.336 15.970 -4.298 1.00 0.00 C ATOM 27 O GLN A 0 0.580 16.550 -4.886 1.00 0.00 O ATOM 28 CB GLN A 0 -1.790 15.231 -6.220 1.00 0.00 C ATOM 29 CG GLN A 0 -3.206 14.971 -6.759 1.00 0.00 C ATOM 30 CD GLN A 0 -3.887 16.192 -7.378 1.00 0.00 C ATOM 31 OE1 GLN A 0 -3.277 17.240 -7.564 1.00 0.00 O ATOM 32 NE2 GLN A 0 -5.169 16.070 -7.705 1.00 0.00 N ATOM 0 H GLN A 0 -2.404 17.617 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 0 -2.446 15.492 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 0 -1.230 15.799 -6.962 1.00 0.00 H new ATOM 0 HB3 GLN A 0 -1.279 14.276 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 0 -3.156 14.181 -7.508 1.00 0.00 H new ATOM 0 HG3 GLN A 0 -3.828 14.599 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 0 -5.656 15.189 -7.541 1.00 0.00 H new ATOM 0 HE22 GLN A 0 -5.667 16.858 -8.120 1.00 0.00 H new ATOM 41 N LYS A 1 -0.155 15.319 -3.143 1.00 0.00 N ATOM 42 CA LYS A 1 1.146 15.240 -2.499 1.00 0.00 C ATOM 43 C LYS A 1 2.162 14.703 -3.503 1.00 0.00 C ATOM 44 O LYS A 1 1.968 13.638 -4.085 1.00 0.00 O ATOM 45 CB LYS A 1 1.095 14.365 -1.244 1.00 0.00 C ATOM 46 CG LYS A 1 0.276 14.981 -0.099 1.00 0.00 C ATOM 47 CD LYS A 1 1.020 16.151 0.560 1.00 0.00 C ATOM 48 CE LYS A 1 0.242 16.698 1.761 1.00 0.00 C ATOM 49 NZ LYS A 1 0.999 17.765 2.442 1.00 0.00 N ATOM 0 H LYS A 1 -0.901 14.840 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 1 1.447 16.237 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.669 13.396 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.112 14.184 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.683 15.329 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.062 14.217 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 1 2.008 15.821 0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 1 1.172 16.946 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -0.721 17.086 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.035 15.890 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.349 18.341 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.720 17.340 3.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.463 18.368 1.733 1.00 0.00 H new ATOM 63 N SER A 2 3.231 15.471 -3.704 1.00 0.00 N ATOM 64 CA SER A 2 4.289 15.191 -4.654 1.00 0.00 C ATOM 65 C SER A 2 5.627 15.306 -3.922 1.00 0.00 C ATOM 66 O SER A 2 5.729 16.115 -2.997 1.00 0.00 O ATOM 67 CB SER A 2 4.181 16.207 -5.797 1.00 0.00 C ATOM 68 OG SER A 2 2.912 16.113 -6.418 1.00 0.00 O ATOM 0 H SER A 2 3.383 16.337 -3.187 1.00 0.00 H new ATOM 0 HA SER A 2 4.209 14.188 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.331 17.216 -5.412 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.967 16.025 -6.530 1.00 0.00 H new ATOM 0 HG SER A 2 2.215 16.366 -5.777 1.00 0.00 H new ATOM 74 N PRO A 3 6.652 14.527 -4.308 1.00 0.00 N ATOM 75 CA PRO A 3 7.950 14.541 -3.650 1.00 0.00 C ATOM 76 C PRO A 3 8.520 15.954 -3.536 1.00 0.00 C ATOM 77 O PRO A 3 9.097 16.292 -2.508 1.00 0.00 O ATOM 78 CB PRO A 3 8.851 13.592 -4.449 1.00 0.00 C ATOM 79 CG PRO A 3 8.129 13.423 -5.786 1.00 0.00 C ATOM 80 CD PRO A 3 6.657 13.576 -5.406 1.00 0.00 C ATOM 0 HA PRO A 3 7.871 14.201 -2.618 1.00 0.00 H new ATOM 0 HB2 PRO A 3 9.848 14.011 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.974 12.636 -3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.439 14.177 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.331 12.450 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.068 13.941 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.225 12.622 -5.104 1.00 0.00 H new ATOM 88 N ALA A 4 8.344 16.779 -4.574 1.00 0.00 N ATOM 89 CA ALA A 4 8.817 18.160 -4.605 1.00 0.00 C ATOM 90 C ALA A 4 8.467 18.959 -3.351 1.00 0.00 C ATOM 91 O ALA A 4 9.240 19.788 -2.872 1.00 0.00 O ATOM 92 CB ALA A 4 8.297 18.857 -5.866 1.00 0.00 C ATOM 0 H ALA A 4 7.861 16.498 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 4 9.906 18.121 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.652 19.887 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.661 18.331 -6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.207 18.849 -5.863 1.00 0.00 H new ATOM 98 N GLU A 5 7.283 18.687 -2.822 1.00 0.00 N ATOM 99 CA GLU A 5 6.751 19.349 -1.643 1.00 0.00 C ATOM 100 C GLU A 5 7.666 19.049 -0.452 1.00 0.00 C ATOM 101 O GLU A 5 8.149 19.957 0.225 1.00 0.00 O ATOM 102 CB GLU A 5 5.299 18.898 -1.426 1.00 0.00 C ATOM 103 CG GLU A 5 4.571 19.742 -0.369 1.00 0.00 C ATOM 104 CD GLU A 5 3.085 19.398 -0.266 1.00 0.00 C ATOM 105 OE1 GLU A 5 2.548 18.831 -1.242 1.00 0.00 O ATOM 106 OE2 GLU A 5 2.490 19.733 0.782 1.00 0.00 O ATOM 0 H GLU A 5 6.653 17.985 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 5 6.730 20.432 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.758 18.959 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.289 17.852 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.044 19.590 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.680 20.798 -0.614 1.00 0.00 H new ATOM 113 N LEU A 6 7.923 17.761 -0.215 1.00 0.00 N ATOM 114 CA LEU A 6 8.790 17.328 0.872 1.00 0.00 C ATOM 115 C LEU A 6 10.226 17.759 0.612 1.00 0.00 C ATOM 116 O LEU A 6 10.954 18.159 1.518 1.00 0.00 O ATOM 117 CB LEU A 6 8.679 15.813 1.088 1.00 0.00 C ATOM 118 CG LEU A 6 7.253 15.347 1.427 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.245 13.820 1.547 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.743 15.958 2.739 1.00 0.00 C ATOM 0 H LEU A 6 7.537 16.997 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 6 8.463 17.810 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.017 15.299 0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.351 15.518 1.894 1.00 0.00 H new ATOM 0 HG LEU A 6 6.591 15.679 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.238 13.479 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.561 13.379 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.930 13.514 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.733 15.601 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.400 15.663 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.734 17.045 2.655 1.00 0.00 H new ATOM 132 N LYS A 7 10.614 17.679 -0.652 1.00 0.00 N ATOM 133 CA LYS A 7 11.934 18.054 -1.124 1.00 0.00 C ATOM 134 C LYS A 7 12.200 19.517 -0.771 1.00 0.00 C ATOM 135 O LYS A 7 13.289 19.840 -0.318 1.00 0.00 O ATOM 136 CB LYS A 7 12.111 17.767 -2.619 1.00 0.00 C ATOM 137 CG LYS A 7 13.596 17.840 -3.000 1.00 0.00 C ATOM 138 CD LYS A 7 13.817 17.369 -4.441 1.00 0.00 C ATOM 139 CE LYS A 7 15.292 17.485 -4.847 1.00 0.00 C ATOM 140 NZ LYS A 7 16.163 16.624 -4.025 1.00 0.00 N ATOM 0 H LYS A 7 10.002 17.342 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 7 12.679 17.439 -0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.715 16.780 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.542 18.488 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.954 18.864 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.181 17.223 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.491 16.334 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.204 17.964 -5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.401 17.213 -5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.613 18.522 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.759 17.217 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.577 15.998 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.768 16.049 -4.645 1.00 0.00 H new ATOM 154 N SER A 8 11.219 20.402 -0.956 1.00 0.00 N ATOM 155 CA SER A 8 11.379 21.809 -0.606 1.00 0.00 C ATOM 156 C SER A 8 11.779 21.956 0.870 1.00 0.00 C ATOM 157 O SER A 8 12.751 22.642 1.192 1.00 0.00 O ATOM 158 CB SER A 8 10.088 22.575 -0.917 1.00 0.00 C ATOM 159 OG SER A 8 9.769 22.459 -2.291 1.00 0.00 O ATOM 0 H SER A 8 10.307 20.167 -1.346 1.00 0.00 H new ATOM 0 HA SER A 8 12.181 22.237 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.270 22.184 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.207 23.625 -0.651 1.00 0.00 H new ATOM 0 HG SER A 8 9.505 21.536 -2.489 1.00 0.00 H new ATOM 165 N ILE A 9 11.039 21.305 1.772 1.00 0.00 N ATOM 166 CA ILE A 9 11.319 21.361 3.207 1.00 0.00 C ATOM 167 C ILE A 9 12.708 20.769 3.467 1.00 0.00 C ATOM 168 O ILE A 9 13.536 21.367 4.152 1.00 0.00 O ATOM 169 CB ILE A 9 10.206 20.650 4.005 1.00 0.00 C ATOM 170 CG1 ILE A 9 8.850 21.335 3.738 1.00 0.00 C ATOM 171 CG2 ILE A 9 10.537 20.677 5.507 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.661 20.575 4.332 1.00 0.00 C ATOM 0 H ILE A 9 10.234 20.728 1.529 1.00 0.00 H new ATOM 0 HA ILE A 9 11.326 22.395 3.550 1.00 0.00 H new ATOM 0 HB ILE A 9 10.141 19.611 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.872 22.343 4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.707 21.436 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.746 20.173 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.484 20.166 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.615 21.711 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 9 6.738 21.110 4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 9 7.615 19.576 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.782 20.497 5.412 1.00 0.00 H new ATOM 184 N PHE A 10 12.967 19.590 2.900 1.00 0.00 N ATOM 185 CA PHE A 10 14.246 18.906 3.003 1.00 0.00 C ATOM 186 C PHE A 10 15.381 19.875 2.647 1.00 0.00 C ATOM 187 O PHE A 10 16.331 20.034 3.411 1.00 0.00 O ATOM 188 CB PHE A 10 14.213 17.683 2.079 1.00 0.00 C ATOM 189 CG PHE A 10 15.544 17.002 1.870 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.473 17.530 0.955 1.00 0.00 C ATOM 191 CD2 PHE A 10 15.861 15.847 2.600 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.765 16.994 0.879 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.126 15.259 2.462 1.00 0.00 C ATOM 194 CZ PHE A 10 18.090 15.860 1.640 1.00 0.00 C ATOM 0 H PHE A 10 12.278 19.079 2.348 1.00 0.00 H new ATOM 0 HA PHE A 10 14.428 18.564 4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.511 16.957 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.823 17.991 1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 10 16.190 18.349 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 10 15.132 15.412 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 10 18.506 17.450 0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.358 14.345 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 10 19.087 15.448 1.592 1.00 0.00 H new ATOM 204 N GLU A 11 15.273 20.533 1.488 1.00 0.00 N ATOM 205 CA GLU A 11 16.250 21.495 1.011 1.00 0.00 C ATOM 206 C GLU A 11 16.375 22.636 2.015 1.00 0.00 C ATOM 207 O GLU A 11 17.489 23.044 2.321 1.00 0.00 O ATOM 208 CB GLU A 11 15.870 22.012 -0.382 1.00 0.00 C ATOM 209 CG GLU A 11 16.101 20.947 -1.462 1.00 0.00 C ATOM 210 CD GLU A 11 15.630 21.435 -2.827 1.00 0.00 C ATOM 211 OE1 GLU A 11 14.395 21.477 -3.020 1.00 0.00 O ATOM 212 OE2 GLU A 11 16.510 21.756 -3.654 1.00 0.00 O ATOM 0 H GLU A 11 14.488 20.404 0.850 1.00 0.00 H new ATOM 0 HA GLU A 11 17.220 21.006 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.823 22.313 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.458 22.900 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.161 20.696 -1.508 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.569 20.034 -1.196 1.00 0.00 H new ATOM 219 N LYS A 12 15.253 23.146 2.534 1.00 0.00 N ATOM 220 CA LYS A 12 15.268 24.216 3.527 1.00 0.00 C ATOM 221 C LYS A 12 16.184 23.846 4.703 1.00 0.00 C ATOM 222 O LYS A 12 16.925 24.694 5.199 1.00 0.00 O ATOM 223 CB LYS A 12 13.835 24.525 3.995 1.00 0.00 C ATOM 224 CG LYS A 12 13.684 25.902 4.660 1.00 0.00 C ATOM 225 CD LYS A 12 13.882 27.099 3.716 1.00 0.00 C ATOM 226 CE LYS A 12 12.965 27.034 2.486 1.00 0.00 C ATOM 227 NZ LYS A 12 12.981 28.301 1.735 1.00 0.00 N ATOM 0 H LYS A 12 14.318 22.829 2.278 1.00 0.00 H new ATOM 0 HA LYS A 12 15.672 25.120 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.163 24.470 3.139 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.518 23.755 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.691 25.968 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.404 25.977 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.689 28.023 4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.921 27.132 3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.284 26.220 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.946 26.809 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.352 28.224 0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.653 29.073 2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.949 28.502 1.414 1.00 0.00 H new ATOM 241 N TYR A 13 16.144 22.583 5.141 1.00 0.00 N ATOM 242 CA TYR A 13 16.989 22.108 6.232 1.00 0.00 C ATOM 243 C TYR A 13 18.421 21.914 5.729 1.00 0.00 C ATOM 244 O TYR A 13 19.352 22.546 6.226 1.00 0.00 O ATOM 245 CB TYR A 13 16.465 20.776 6.795 1.00 0.00 C ATOM 246 CG TYR A 13 15.371 20.894 7.837 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.153 21.524 7.522 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.555 20.339 9.120 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.130 21.603 8.480 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.559 20.483 10.092 1.00 0.00 C ATOM 251 CZ TYR A 13 13.338 21.096 9.772 1.00 0.00 C ATOM 252 OH TYR A 13 12.346 21.179 10.701 1.00 0.00 O ATOM 0 H TYR A 13 15.529 21.869 4.750 1.00 0.00 H new ATOM 0 HA TYR A 13 16.971 22.854 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.091 20.174 5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.302 20.232 7.232 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.005 21.948 6.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.464 19.803 9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.183 22.054 8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.731 20.120 11.095 1.00 0.00 H new ATOM 0 HH TYR A 13 12.652 20.781 11.543 1.00 0.00 H new ATOM 262 N ALA A 14 18.596 21.026 4.749 1.00 0.00 N ATOM 263 CA ALA A 14 19.894 20.675 4.191 1.00 0.00 C ATOM 264 C ALA A 14 20.732 21.908 3.834 1.00 0.00 C ATOM 265 O ALA A 14 21.930 21.952 4.114 1.00 0.00 O ATOM 266 CB ALA A 14 19.689 19.721 3.007 1.00 0.00 C ATOM 0 H ALA A 14 17.822 20.523 4.316 1.00 0.00 H new ATOM 0 HA ALA A 14 20.479 20.157 4.951 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.657 19.453 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.181 18.819 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.083 20.211 2.245 1.00 0.00 H new ATOM 272 N ALA A 15 20.107 22.923 3.235 1.00 0.00 N ATOM 273 CA ALA A 15 20.758 24.169 2.847 1.00 0.00 C ATOM 274 C ALA A 15 21.555 24.794 3.994 1.00 0.00 C ATOM 275 O ALA A 15 22.579 25.423 3.742 1.00 0.00 O ATOM 276 CB ALA A 15 19.715 25.158 2.323 1.00 0.00 C ATOM 0 H ALA A 15 19.114 22.898 3.003 1.00 0.00 H new ATOM 0 HA ALA A 15 21.471 23.934 2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.207 26.087 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.211 24.730 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.983 25.363 3.104 1.00 0.00 H new ATOM 282 N LYS A 16 21.121 24.624 5.249 1.00 0.00 N ATOM 283 CA LYS A 16 21.831 25.185 6.395 1.00 0.00 C ATOM 284 C LYS A 16 23.274 24.666 6.465 1.00 0.00 C ATOM 285 O LYS A 16 24.152 25.350 6.986 1.00 0.00 O ATOM 286 CB LYS A 16 21.075 24.877 7.696 1.00 0.00 C ATOM 287 CG LYS A 16 19.619 25.375 7.717 1.00 0.00 C ATOM 288 CD LYS A 16 19.504 26.897 7.576 1.00 0.00 C ATOM 289 CE LYS A 16 18.035 27.315 7.705 1.00 0.00 C ATOM 290 NZ LYS A 16 17.876 28.771 7.550 1.00 0.00 N ATOM 0 H LYS A 16 20.280 24.101 5.492 1.00 0.00 H new ATOM 0 HA LYS A 16 21.876 26.267 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.080 23.799 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.613 25.328 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 16 19.066 24.898 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.148 25.066 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.102 27.390 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.900 27.214 6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.441 26.800 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.651 27.007 8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.871 29.022 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.424 29.260 8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.220 29.060 6.612 1.00 0.00 H new ATOM 304 N GLU A 17 23.522 23.465 5.936 1.00 0.00 N ATOM 305 CA GLU A 17 24.836 22.834 5.910 1.00 0.00 C ATOM 306 C GLU A 17 25.639 23.254 4.674 1.00 0.00 C ATOM 307 O GLU A 17 26.810 22.904 4.550 1.00 0.00 O ATOM 308 CB GLU A 17 24.634 21.318 5.901 1.00 0.00 C ATOM 309 CG GLU A 17 23.872 20.863 7.154 1.00 0.00 C ATOM 310 CD GLU A 17 23.487 19.392 7.104 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.275 18.595 6.549 1.00 0.00 O ATOM 312 OE2 GLU A 17 22.411 19.085 7.659 1.00 0.00 O ATOM 0 H GLU A 17 22.795 22.894 5.505 1.00 0.00 H new ATOM 0 HA GLU A 17 25.399 23.148 6.789 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.082 21.025 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.601 20.818 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.488 21.043 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.971 21.467 7.266 1.00 0.00 H new ATOM 319 N GLY A 18 25.010 23.988 3.755 1.00 0.00 N ATOM 320 CA GLY A 18 25.597 24.467 2.519 1.00 0.00 C ATOM 321 C GLY A 18 24.951 23.713 1.367 1.00 0.00 C ATOM 322 O GLY A 18 24.043 24.228 0.719 1.00 0.00 O ATOM 0 H GLY A 18 24.037 24.273 3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 18 25.435 25.539 2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.675 24.307 2.522 1.00 0.00 H new ATOM 326 N ASP A 19 25.410 22.487 1.112 1.00 0.00 N ATOM 327 CA ASP A 19 24.875 21.652 0.042 1.00 0.00 C ATOM 328 C ASP A 19 23.460 21.201 0.420 1.00 0.00 C ATOM 329 O ASP A 19 23.318 20.454 1.389 1.00 0.00 O ATOM 330 CB ASP A 19 25.777 20.428 -0.170 1.00 0.00 C ATOM 331 CG ASP A 19 27.160 20.821 -0.676 1.00 0.00 C ATOM 332 OD1 ASP A 19 28.015 21.117 0.186 1.00 0.00 O ATOM 333 OD2 ASP A 19 27.331 20.824 -1.914 1.00 0.00 O ATOM 0 H ASP A 19 26.162 22.048 1.642 1.00 0.00 H new ATOM 0 HA ASP A 19 24.841 22.224 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.875 19.883 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 19 25.308 19.751 -0.884 1.00 0.00 H new ATOM 338 N PRO A 20 22.403 21.603 -0.306 1.00 0.00 N ATOM 339 CA PRO A 20 21.037 21.225 0.026 1.00 0.00 C ATOM 340 C PRO A 20 20.751 19.786 -0.431 1.00 0.00 C ATOM 341 O PRO A 20 19.795 19.554 -1.169 1.00 0.00 O ATOM 342 CB PRO A 20 20.175 22.263 -0.700 1.00 0.00 C ATOM 343 CG PRO A 20 20.972 22.522 -1.977 1.00 0.00 C ATOM 344 CD PRO A 20 22.420 22.460 -1.484 1.00 0.00 C ATOM 0 HA PRO A 20 20.834 21.224 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 20 19.177 21.882 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.049 23.170 -0.109 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.771 21.770 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 20 20.734 23.492 -2.414 1.00 0.00 H new ATOM 0 HD2 PRO A 20 23.078 22.054 -2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 20 22.792 23.455 -1.238 1.00 0.00 H new ATOM 352 N ASN A 21 21.573 18.815 -0.007 1.00 0.00 N ATOM 353 CA ASN A 21 21.436 17.416 -0.415 1.00 0.00 C ATOM 354 C ASN A 21 21.430 16.414 0.741 1.00 0.00 C ATOM 355 O ASN A 21 21.251 15.220 0.500 1.00 0.00 O ATOM 356 CB ASN A 21 22.511 17.069 -1.453 1.00 0.00 C ATOM 357 CG ASN A 21 22.280 15.698 -2.094 1.00 0.00 C ATOM 358 OD1 ASN A 21 21.155 15.333 -2.425 1.00 0.00 O ATOM 359 ND2 ASN A 21 23.343 14.919 -2.280 1.00 0.00 N ATOM 0 H ASN A 21 22.352 18.982 0.630 1.00 0.00 H new ATOM 0 HA ASN A 21 20.447 17.323 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.523 17.833 -2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.491 17.084 -0.976 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.233 13.998 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 21 24.268 15.243 -1.997 1.00 0.00 H new ATOM 366 N GLN A 22 21.598 16.853 1.992 1.00 0.00 N ATOM 367 CA GLN A 22 21.531 15.957 3.135 1.00 0.00 C ATOM 368 C GLN A 22 21.153 16.695 4.382 1.00 0.00 C ATOM 369 O GLN A 22 21.357 17.904 4.455 1.00 0.00 O ATOM 370 CB GLN A 22 22.898 15.402 3.571 1.00 0.00 C ATOM 371 CG GLN A 22 23.895 15.057 2.460 1.00 0.00 C ATOM 372 CD GLN A 22 25.007 14.163 2.996 1.00 0.00 C ATOM 373 OE1 GLN A 22 25.100 12.998 2.625 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.850 14.686 3.880 1.00 0.00 N ATOM 0 H GLN A 22 21.782 17.827 2.232 1.00 0.00 H new ATOM 0 HA GLN A 22 20.833 15.191 2.797 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.366 16.133 4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.726 14.503 4.163 1.00 0.00 H new ATOM 0 HG2 GLN A 22 23.378 14.553 1.643 1.00 0.00 H new ATOM 0 HG3 GLN A 22 24.322 15.972 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.747 15.659 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.600 14.115 4.269 1.00 0.00 H new ATOM 383 N LEU A 23 20.718 15.916 5.371 1.00 0.00 N ATOM 384 CA LEU A 23 20.597 16.404 6.711 1.00 0.00 C ATOM 385 C LEU A 23 21.661 15.703 7.546 1.00 0.00 C ATOM 386 O LEU A 23 21.865 14.494 7.415 1.00 0.00 O ATOM 387 CB LEU A 23 19.222 16.155 7.347 1.00 0.00 C ATOM 388 CG LEU A 23 18.025 16.562 6.483 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.493 15.342 5.729 1.00 0.00 C ATOM 390 CD2 LEU A 23 16.885 17.110 7.343 1.00 0.00 C ATOM 0 H LEU A 23 20.446 14.940 5.251 1.00 0.00 H new ATOM 0 HA LEU A 23 20.724 17.486 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.135 15.095 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.171 16.698 8.290 1.00 0.00 H new ATOM 0 HG LEU A 23 18.365 17.332 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.641 15.636 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.278 14.938 5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.180 14.581 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.049 17.391 6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.561 16.345 8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.232 17.986 7.892 1.00 0.00 H new ATOM 402 N SER A 24 22.327 16.465 8.407 1.00 0.00 N ATOM 403 CA SER A 24 23.287 15.951 9.359 1.00 0.00 C ATOM 404 C SER A 24 22.476 15.277 10.465 1.00 0.00 C ATOM 405 O SER A 24 21.256 15.421 10.503 1.00 0.00 O ATOM 406 CB SER A 24 24.038 17.145 9.957 1.00 0.00 C ATOM 407 OG SER A 24 23.095 17.988 10.605 1.00 0.00 O ATOM 0 H SER A 24 22.207 17.477 8.458 1.00 0.00 H new ATOM 0 HA SER A 24 23.992 15.256 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.791 16.803 10.667 1.00 0.00 H new ATOM 0 HB3 SER A 24 24.563 17.694 9.175 1.00 0.00 H new ATOM 0 HG SER A 24 23.177 18.900 10.256 1.00 0.00 H new ATOM 413 N LYS A 25 23.117 14.570 11.396 1.00 0.00 N ATOM 414 CA LYS A 25 22.393 14.002 12.529 1.00 0.00 C ATOM 415 C LYS A 25 21.571 15.098 13.233 1.00 0.00 C ATOM 416 O LYS A 25 20.428 14.880 13.630 1.00 0.00 O ATOM 417 CB LYS A 25 23.392 13.323 13.475 1.00 0.00 C ATOM 418 CG LYS A 25 22.689 12.445 14.518 1.00 0.00 C ATOM 419 CD LYS A 25 23.688 11.592 15.314 1.00 0.00 C ATOM 420 CE LYS A 25 24.653 12.438 16.151 1.00 0.00 C ATOM 421 NZ LYS A 25 25.524 11.586 16.981 1.00 0.00 N ATOM 0 H LYS A 25 24.119 14.380 11.388 1.00 0.00 H new ATOM 0 HA LYS A 25 21.687 13.245 12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.084 12.713 12.894 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.986 14.084 13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.124 13.077 15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.971 11.793 14.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.140 10.917 15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.260 10.971 14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.264 13.056 15.493 1.00 0.00 H new ATOM 0 HE3 LYS A 25 24.087 13.116 16.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 26.167 12.185 17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.940 11.015 17.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 26.080 10.957 16.368 1.00 0.00 H new ATOM 435 N GLU A 26 22.151 16.293 13.369 1.00 0.00 N ATOM 436 CA GLU A 26 21.500 17.433 13.996 1.00 0.00 C ATOM 437 C GLU A 26 20.270 17.869 13.195 1.00 0.00 C ATOM 438 O GLU A 26 19.177 18.022 13.747 1.00 0.00 O ATOM 439 CB GLU A 26 22.498 18.593 14.123 1.00 0.00 C ATOM 440 CG GLU A 26 23.698 18.221 15.003 1.00 0.00 C ATOM 441 CD GLU A 26 24.678 19.383 15.108 1.00 0.00 C ATOM 442 OE1 GLU A 26 25.419 19.587 14.123 1.00 0.00 O ATOM 443 OE2 GLU A 26 24.662 20.049 16.166 1.00 0.00 O ATOM 0 H GLU A 26 23.096 16.493 13.041 1.00 0.00 H new ATOM 0 HA GLU A 26 21.164 17.140 14.991 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.850 18.880 13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.993 19.462 14.546 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.351 17.942 15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.204 17.350 14.586 1.00 0.00 H new ATOM 450 N GLU A 27 20.428 18.095 11.890 1.00 0.00 N ATOM 451 CA GLU A 27 19.308 18.539 11.068 1.00 0.00 C ATOM 452 C GLU A 27 18.232 17.451 10.984 1.00 0.00 C ATOM 453 O GLU A 27 17.046 17.770 11.020 1.00 0.00 O ATOM 454 CB GLU A 27 19.795 19.044 9.705 1.00 0.00 C ATOM 455 CG GLU A 27 20.256 20.513 9.747 1.00 0.00 C ATOM 456 CD GLU A 27 21.384 20.780 10.741 1.00 0.00 C ATOM 457 OE1 GLU A 27 22.554 20.579 10.348 1.00 0.00 O ATOM 458 OE2 GLU A 27 21.055 21.181 11.880 1.00 0.00 O ATOM 0 H GLU A 27 21.308 17.979 11.388 1.00 0.00 H new ATOM 0 HA GLU A 27 18.829 19.395 11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.619 18.418 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 27 18.992 18.940 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.585 20.809 8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 27 19.404 21.144 10.001 1.00 0.00 H new ATOM 465 N LEU A 28 18.618 16.174 10.890 1.00 0.00 N ATOM 466 CA LEU A 28 17.667 15.069 10.834 1.00 0.00 C ATOM 467 C LEU A 28 16.863 15.054 12.124 1.00 0.00 C ATOM 468 O LEU A 28 15.637 15.014 12.089 1.00 0.00 O ATOM 469 CB LEU A 28 18.356 13.731 10.500 1.00 0.00 C ATOM 470 CG LEU A 28 18.639 12.733 11.638 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.405 11.950 12.113 1.00 0.00 C ATOM 472 CD2 LEU A 28 19.667 11.708 11.162 1.00 0.00 C ATOM 0 H LEU A 28 19.595 15.883 10.851 1.00 0.00 H new ATOM 0 HA LEU A 28 16.968 15.217 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.741 13.220 9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.307 13.961 10.020 1.00 0.00 H new ATOM 0 HG LEU A 28 18.993 13.334 12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.692 11.270 12.915 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.651 12.647 12.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.995 11.377 11.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.872 10.998 11.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.275 11.174 10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.589 12.219 10.886 1.00 0.00 H new ATOM 484 N LYS A 29 17.554 15.092 13.264 1.00 0.00 N ATOM 485 CA LYS A 29 16.921 15.109 14.576 1.00 0.00 C ATOM 486 C LYS A 29 15.840 16.187 14.604 1.00 0.00 C ATOM 487 O LYS A 29 14.701 15.939 15.011 1.00 0.00 O ATOM 488 CB LYS A 29 17.996 15.367 15.644 1.00 0.00 C ATOM 489 CG LYS A 29 17.446 15.722 17.032 1.00 0.00 C ATOM 490 CD LYS A 29 16.635 14.559 17.625 1.00 0.00 C ATOM 491 CE LYS A 29 16.701 14.525 19.159 1.00 0.00 C ATOM 492 NZ LYS A 29 16.250 15.784 19.779 1.00 0.00 N ATOM 0 H LYS A 29 18.573 15.112 13.299 1.00 0.00 H new ATOM 0 HA LYS A 29 16.447 14.150 14.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.622 14.479 15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.639 16.179 15.304 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.271 15.971 17.700 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.816 16.608 16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.595 14.646 17.310 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.011 13.617 17.226 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.086 13.704 19.526 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.725 14.319 19.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.674 15.877 20.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.544 16.587 19.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.213 15.777 19.864 1.00 0.00 H new ATOM 506 N GLN A 30 16.195 17.398 14.172 1.00 0.00 N ATOM 507 CA GLN A 30 15.236 18.486 14.142 1.00 0.00 C ATOM 508 C GLN A 30 14.069 18.120 13.206 1.00 0.00 C ATOM 509 O GLN A 30 12.908 18.192 13.605 1.00 0.00 O ATOM 510 CB GLN A 30 15.925 19.788 13.716 1.00 0.00 C ATOM 511 CG GLN A 30 16.834 20.334 14.824 1.00 0.00 C ATOM 512 CD GLN A 30 17.822 21.349 14.260 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.599 22.552 14.311 1.00 0.00 O ATOM 514 NE2 GLN A 30 18.923 20.847 13.715 1.00 0.00 N ATOM 0 H GLN A 30 17.129 17.642 13.843 1.00 0.00 H new ATOM 0 HA GLN A 30 14.829 18.646 15.140 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.514 19.611 12.816 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.171 20.533 13.463 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.228 20.801 15.601 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.376 19.513 15.293 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.067 19.837 13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.625 21.471 13.317 1.00 0.00 H new ATOM 523 N LEU A 31 14.379 17.727 11.963 1.00 0.00 N ATOM 524 CA LEU A 31 13.408 17.331 10.945 1.00 0.00 C ATOM 525 C LEU A 31 12.361 16.367 11.484 1.00 0.00 C ATOM 526 O LEU A 31 11.160 16.610 11.381 1.00 0.00 O ATOM 527 CB LEU A 31 14.155 16.787 9.713 1.00 0.00 C ATOM 528 CG LEU A 31 13.354 16.567 8.418 1.00 0.00 C ATOM 529 CD1 LEU A 31 12.308 15.450 8.517 1.00 0.00 C ATOM 530 CD2 LEU A 31 12.736 17.865 7.890 1.00 0.00 C ATOM 0 H LEU A 31 15.343 17.676 11.633 1.00 0.00 H new ATOM 0 HA LEU A 31 12.841 18.210 10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.971 17.474 9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.607 15.835 9.991 1.00 0.00 H new ATOM 0 HG LEU A 31 14.088 16.226 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.785 15.356 7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.803 14.508 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.591 15.691 9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.181 17.658 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.060 18.277 8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.527 18.585 7.680 1.00 0.00 H new ATOM 542 N ILE A 32 12.844 15.274 12.061 1.00 0.00 N ATOM 543 CA ILE A 32 12.031 14.207 12.636 1.00 0.00 C ATOM 544 C ILE A 32 10.970 14.791 13.543 1.00 0.00 C ATOM 545 O ILE A 32 9.773 14.622 13.338 1.00 0.00 O ATOM 546 CB ILE A 32 12.883 13.171 13.402 1.00 0.00 C ATOM 547 CG1 ILE A 32 13.772 12.326 12.475 1.00 0.00 C ATOM 548 CG2 ILE A 32 12.002 12.253 14.273 1.00 0.00 C ATOM 549 CD1 ILE A 32 13.028 11.240 11.688 1.00 0.00 C ATOM 0 H ILE A 32 13.845 15.099 12.145 1.00 0.00 H new ATOM 0 HA ILE A 32 11.551 13.681 11.810 1.00 0.00 H new ATOM 0 HB ILE A 32 13.544 13.747 14.050 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.271 12.990 11.769 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.551 11.853 13.073 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.632 11.536 14.799 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.455 12.855 14.998 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.295 11.718 13.639 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.735 10.696 11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 32 12.552 10.549 12.383 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.268 11.703 11.059 1.00 0.00 H new ATOM 561 N GLN A 33 11.463 15.475 14.560 1.00 0.00 N ATOM 562 CA GLN A 33 10.639 16.082 15.588 1.00 0.00 C ATOM 563 C GLN A 33 9.640 17.065 14.969 1.00 0.00 C ATOM 564 O GLN A 33 8.473 17.084 15.345 1.00 0.00 O ATOM 565 CB GLN A 33 11.522 16.799 16.609 1.00 0.00 C ATOM 566 CG GLN A 33 12.353 15.809 17.433 1.00 0.00 C ATOM 567 CD GLN A 33 13.408 16.562 18.228 1.00 0.00 C ATOM 568 OE1 GLN A 33 13.382 16.607 19.452 1.00 0.00 O ATOM 569 NE2 GLN A 33 14.366 17.149 17.525 1.00 0.00 N ATOM 0 H GLN A 33 12.462 15.626 14.696 1.00 0.00 H new ATOM 0 HA GLN A 33 10.078 15.296 16.093 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.187 17.491 16.093 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.898 17.394 17.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.705 15.250 18.108 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.830 15.083 16.774 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.359 17.093 16.507 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.111 17.657 18.002 1.00 0.00 H new ATOM 578 N ALA A 34 10.104 17.895 14.032 1.00 0.00 N ATOM 579 CA ALA A 34 9.273 18.899 13.388 1.00 0.00 C ATOM 580 C ALA A 34 8.143 18.297 12.546 1.00 0.00 C ATOM 581 O ALA A 34 6.974 18.588 12.784 1.00 0.00 O ATOM 582 CB ALA A 34 10.155 19.821 12.542 1.00 0.00 C ATOM 0 H ALA A 34 11.069 17.885 13.702 1.00 0.00 H new ATOM 0 HA ALA A 34 8.783 19.473 14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.534 20.575 12.058 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.888 20.311 13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.672 19.234 11.782 1.00 0.00 H new ATOM 588 N GLU A 35 8.485 17.480 11.547 1.00 0.00 N ATOM 589 CA GLU A 35 7.505 16.918 10.627 1.00 0.00 C ATOM 590 C GLU A 35 6.818 15.654 11.133 1.00 0.00 C ATOM 591 O GLU A 35 5.616 15.496 10.922 1.00 0.00 O ATOM 592 CB GLU A 35 8.160 16.587 9.281 1.00 0.00 C ATOM 593 CG GLU A 35 8.681 17.811 8.523 1.00 0.00 C ATOM 594 CD GLU A 35 8.972 17.442 7.069 1.00 0.00 C ATOM 595 OE1 GLU A 35 9.901 16.634 6.857 1.00 0.00 O ATOM 596 OE2 GLU A 35 8.240 17.950 6.194 1.00 0.00 O ATOM 0 H GLU A 35 9.445 17.193 11.357 1.00 0.00 H new ATOM 0 HA GLU A 35 6.743 17.691 10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.988 15.899 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.436 16.066 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.945 18.614 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.587 18.186 9.000 1.00 0.00 H new ATOM 603 N PHE A 36 7.565 14.738 11.756 1.00 0.00 N ATOM 604 CA PHE A 36 7.045 13.434 12.148 1.00 0.00 C ATOM 605 C PHE A 36 7.285 13.086 13.623 1.00 0.00 C ATOM 606 O PHE A 36 7.971 12.097 13.902 1.00 0.00 O ATOM 607 CB PHE A 36 7.660 12.373 11.216 1.00 0.00 C ATOM 608 CG PHE A 36 7.735 12.759 9.747 1.00 0.00 C ATOM 609 CD1 PHE A 36 6.558 13.069 9.040 1.00 0.00 C ATOM 610 CD2 PHE A 36 8.986 12.909 9.116 1.00 0.00 C ATOM 611 CE1 PHE A 36 6.633 13.568 7.729 1.00 0.00 C ATOM 612 CE2 PHE A 36 9.058 13.386 7.795 1.00 0.00 C ATOM 613 CZ PHE A 36 7.883 13.730 7.107 1.00 0.00 C ATOM 0 H PHE A 36 8.545 14.883 12.000 1.00 0.00 H new ATOM 0 HA PHE A 36 5.960 13.459 12.044 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.667 12.146 11.566 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.078 11.456 11.304 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.595 12.923 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.891 12.657 9.648 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.729 13.828 7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 36 10.017 13.488 7.309 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.940 14.119 6.101 1.00 0.00 H new ATOM 623 N PRO A 37 6.716 13.850 14.575 1.00 0.00 N ATOM 624 CA PRO A 37 6.832 13.603 16.004 1.00 0.00 C ATOM 625 C PRO A 37 5.986 12.376 16.384 1.00 0.00 C ATOM 626 O PRO A 37 4.994 12.464 17.102 1.00 0.00 O ATOM 627 CB PRO A 37 6.332 14.881 16.688 1.00 0.00 C ATOM 628 CG PRO A 37 5.307 15.416 15.690 1.00 0.00 C ATOM 629 CD PRO A 37 5.924 15.039 14.343 1.00 0.00 C ATOM 0 HA PRO A 37 7.854 13.383 16.313 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.882 14.671 17.658 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.140 15.592 16.859 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.328 14.958 15.830 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.171 16.493 15.786 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.149 14.851 13.600 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.543 15.850 13.959 1.00 0.00 H new ATOM 637 N SER A 38 6.381 11.219 15.862 1.00 0.00 N ATOM 638 CA SER A 38 5.742 9.928 16.016 1.00 0.00 C ATOM 639 C SER A 38 6.742 8.795 15.767 1.00 0.00 C ATOM 640 O SER A 38 6.608 7.722 16.347 1.00 0.00 O ATOM 641 CB SER A 38 4.579 9.857 15.027 1.00 0.00 C ATOM 642 OG SER A 38 5.000 10.241 13.731 1.00 0.00 O ATOM 0 H SER A 38 7.216 11.161 15.280 1.00 0.00 H new ATOM 0 HA SER A 38 5.372 9.811 17.035 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.180 8.843 15.000 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.771 10.509 15.360 1.00 0.00 H new ATOM 0 HG SER A 38 4.242 10.187 13.112 1.00 0.00 H new ATOM 648 N LEU A 39 7.765 9.017 14.931 1.00 0.00 N ATOM 649 CA LEU A 39 8.786 8.029 14.590 1.00 0.00 C ATOM 650 C LEU A 39 9.792 7.783 15.727 1.00 0.00 C ATOM 651 O LEU A 39 10.967 7.527 15.478 1.00 0.00 O ATOM 652 CB LEU A 39 9.491 8.453 13.291 1.00 0.00 C ATOM 653 CG LEU A 39 8.537 8.789 12.133 1.00 0.00 C ATOM 654 CD1 LEU A 39 9.350 9.160 10.888 1.00 0.00 C ATOM 655 CD2 LEU A 39 7.597 7.628 11.792 1.00 0.00 C ATOM 0 H LEU A 39 7.905 9.913 14.464 1.00 0.00 H new ATOM 0 HA LEU A 39 8.286 7.073 14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.114 9.323 13.497 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.158 7.651 12.975 1.00 0.00 H new ATOM 0 HG LEU A 39 7.922 9.629 12.455 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.672 9.398 10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.974 10.027 11.106 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.983 8.320 10.603 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.945 7.918 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.185 6.758 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.992 7.382 12.664 1.00 0.00 H new ATOM 667 N LEU A 40 9.329 7.837 16.976 1.00 0.00 N ATOM 668 CA LEU A 40 10.102 7.595 18.184 1.00 0.00 C ATOM 669 C LEU A 40 9.637 6.237 18.710 1.00 0.00 C ATOM 670 O LEU A 40 9.165 6.125 19.838 1.00 0.00 O ATOM 671 CB LEU A 40 9.851 8.716 19.208 1.00 0.00 C ATOM 672 CG LEU A 40 10.166 10.117 18.656 1.00 0.00 C ATOM 673 CD1 LEU A 40 8.890 10.858 18.240 1.00 0.00 C ATOM 674 CD2 LEU A 40 10.896 10.955 19.712 1.00 0.00 C ATOM 0 H LEU A 40 8.355 8.062 17.178 1.00 0.00 H new ATOM 0 HA LEU A 40 11.175 7.588 17.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.809 8.683 19.526 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.461 8.535 20.093 1.00 0.00 H new ATOM 0 HG LEU A 40 10.799 9.982 17.779 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.151 11.844 17.855 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.376 10.290 17.465 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.235 10.968 19.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.112 11.943 19.307 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.266 11.055 20.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.829 10.463 19.985 1.00 0.00 H new ATOM 686 N LYS A 41 9.749 5.208 17.868 1.00 0.00 N ATOM 687 CA LYS A 41 9.275 3.866 18.153 1.00 0.00 C ATOM 688 C LYS A 41 10.108 2.847 17.375 1.00 0.00 C ATOM 689 O LYS A 41 11.004 3.226 16.624 1.00 0.00 O ATOM 690 CB LYS A 41 7.783 3.797 17.797 1.00 0.00 C ATOM 691 CG LYS A 41 7.496 4.191 16.340 1.00 0.00 C ATOM 692 CD LYS A 41 5.985 4.293 16.120 1.00 0.00 C ATOM 693 CE LYS A 41 5.696 4.785 14.698 1.00 0.00 C ATOM 694 NZ LYS A 41 4.257 4.994 14.477 1.00 0.00 N ATOM 0 H LYS A 41 10.183 5.294 16.949 1.00 0.00 H new ATOM 0 HA LYS A 41 9.388 3.626 19.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.419 2.784 17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.225 4.456 18.463 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.972 5.145 16.111 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.923 3.451 15.663 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.519 3.320 16.279 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.549 4.978 16.847 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.231 5.718 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.073 4.059 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.117 5.572 13.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.788 4.074 14.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.847 5.484 15.298 1.00 0.00 H new ATOM 708 N GLY A 42 9.799 1.560 17.558 1.00 0.00 N ATOM 709 CA GLY A 42 10.515 0.470 16.913 1.00 0.00 C ATOM 710 C GLY A 42 11.812 0.183 17.675 1.00 0.00 C ATOM 711 O GLY A 42 12.010 0.720 18.764 1.00 0.00 O ATOM 0 H GLY A 42 9.039 1.249 18.163 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.891 -0.423 16.888 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.739 0.731 15.879 1.00 0.00 H new ATOM 715 N PRO A 43 12.700 -0.662 17.129 1.00 0.00 N ATOM 716 CA PRO A 43 13.975 -0.971 17.754 1.00 0.00 C ATOM 717 C PRO A 43 14.758 0.325 17.964 1.00 0.00 C ATOM 718 O PRO A 43 14.813 1.145 17.052 1.00 0.00 O ATOM 719 CB PRO A 43 14.697 -1.908 16.777 1.00 0.00 C ATOM 720 CG PRO A 43 13.562 -2.516 15.952 1.00 0.00 C ATOM 721 CD PRO A 43 12.557 -1.366 15.868 1.00 0.00 C ATOM 0 HA PRO A 43 13.864 -1.443 18.730 1.00 0.00 H new ATOM 0 HB2 PRO A 43 15.402 -1.365 16.148 1.00 0.00 H new ATOM 0 HB3 PRO A 43 15.265 -2.675 17.304 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.902 -2.830 14.965 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.134 -3.394 16.436 1.00 0.00 H new ATOM 0 HD2 PRO A 43 12.772 -0.713 15.023 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.541 -1.737 15.734 1.00 0.00 H new ATOM 729 N ARG A 44 15.359 0.521 19.142 1.00 0.00 N ATOM 730 CA ARG A 44 16.122 1.727 19.447 1.00 0.00 C ATOM 731 C ARG A 44 15.188 2.940 19.274 1.00 0.00 C ATOM 732 O ARG A 44 14.239 3.040 20.046 1.00 0.00 O ATOM 733 CB ARG A 44 17.424 1.704 18.631 1.00 0.00 C ATOM 734 CG ARG A 44 18.544 2.611 19.147 1.00 0.00 C ATOM 735 CD ARG A 44 19.781 2.330 18.286 1.00 0.00 C ATOM 736 NE ARG A 44 20.953 3.089 18.733 1.00 0.00 N ATOM 737 CZ ARG A 44 22.096 3.155 18.035 1.00 0.00 C ATOM 738 NH1 ARG A 44 22.264 2.409 16.939 1.00 0.00 N ATOM 739 NH2 ARG A 44 23.063 3.998 18.406 1.00 0.00 N ATOM 0 H ARG A 44 15.328 -0.153 19.907 1.00 0.00 H new ATOM 0 HA ARG A 44 16.464 1.793 20.480 1.00 0.00 H new ATOM 0 HB2 ARG A 44 17.795 0.680 18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.194 1.989 17.605 1.00 0.00 H new ATOM 0 HG2 ARG A 44 18.255 3.660 19.076 1.00 0.00 H new ATOM 0 HG3 ARG A 44 18.751 2.408 20.198 1.00 0.00 H new ATOM 0 HD2 ARG A 44 20.008 1.264 18.316 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.563 2.580 17.248 1.00 0.00 H new ATOM 0 HE ARG A 44 20.896 3.592 19.619 1.00 0.00 H new ATOM 0 HH11 ARG A 44 21.520 1.784 16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 44 23.136 2.464 16.413 1.00 0.00 H new ATOM 0 HH21 ARG A 44 22.934 4.595 19.223 1.00 0.00 H new ATOM 0 HH22 ARG A 44 23.931 4.045 17.872 1.00 0.00 H new ATOM 753 N THR A 45 15.393 3.848 18.304 1.00 0.00 N ATOM 754 CA THR A 45 14.452 4.953 18.107 1.00 0.00 C ATOM 755 C THR A 45 14.564 5.651 16.747 1.00 0.00 C ATOM 756 O THR A 45 14.949 5.020 15.774 1.00 0.00 O ATOM 757 CB THR A 45 14.555 5.938 19.301 1.00 0.00 C ATOM 758 OG1 THR A 45 13.570 6.953 19.245 1.00 0.00 O ATOM 759 CG2 THR A 45 15.955 6.577 19.381 1.00 0.00 C ATOM 0 H THR A 45 16.184 3.837 17.660 1.00 0.00 H new ATOM 0 HA THR A 45 13.451 4.523 18.085 1.00 0.00 H new ATOM 0 HB THR A 45 14.381 5.348 20.201 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.002 7.831 19.299 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.994 7.262 20.228 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.704 5.796 19.510 1.00 0.00 H new ATOM 0 HG23 THR A 45 16.158 7.125 18.461 1.00 0.00 H new ATOM 767 N LEU A 46 14.255 6.952 16.649 1.00 0.00 N ATOM 768 CA LEU A 46 14.445 7.711 15.406 1.00 0.00 C ATOM 769 C LEU A 46 15.885 7.496 14.924 1.00 0.00 C ATOM 770 O LEU A 46 16.176 7.319 13.744 1.00 0.00 O ATOM 771 CB LEU A 46 14.050 9.184 15.524 1.00 0.00 C ATOM 772 CG LEU A 46 14.677 9.907 16.711 1.00 0.00 C ATOM 773 CD1 LEU A 46 15.640 11.011 16.267 1.00 0.00 C ATOM 774 CD2 LEU A 46 13.630 10.451 17.682 1.00 0.00 C ATOM 0 H LEU A 46 13.871 7.501 17.418 1.00 0.00 H new ATOM 0 HA LEU A 46 13.760 7.331 14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.336 9.700 14.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.965 9.252 15.603 1.00 0.00 H new ATOM 0 HG LEU A 46 15.258 9.158 17.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.063 11.499 17.145 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.443 10.576 15.671 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.101 11.745 15.668 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.129 10.957 18.509 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.983 11.158 17.162 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.030 9.627 18.069 1.00 0.00 H new ATOM 786 N ASP A 47 16.767 7.479 15.919 1.00 0.00 N ATOM 787 CA ASP A 47 18.184 7.176 15.879 1.00 0.00 C ATOM 788 C ASP A 47 18.457 5.893 15.065 1.00 0.00 C ATOM 789 O ASP A 47 19.439 5.797 14.330 1.00 0.00 O ATOM 790 CB ASP A 47 18.712 7.043 17.313 1.00 0.00 C ATOM 791 CG ASP A 47 20.233 6.992 17.366 1.00 0.00 C ATOM 792 OD1 ASP A 47 20.845 8.059 17.148 1.00 0.00 O ATOM 793 OD2 ASP A 47 20.755 5.892 17.638 1.00 0.00 O ATOM 0 H ASP A 47 16.470 7.701 16.869 1.00 0.00 H new ATOM 0 HA ASP A 47 18.708 7.990 15.379 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.358 7.885 17.908 1.00 0.00 H new ATOM 0 HB3 ASP A 47 18.304 6.139 17.766 1.00 0.00 H new ATOM 798 N ASP A 48 17.565 4.907 15.199 1.00 0.00 N ATOM 799 CA ASP A 48 17.601 3.624 14.513 1.00 0.00 C ATOM 800 C ASP A 48 17.512 3.879 13.010 1.00 0.00 C ATOM 801 O ASP A 48 18.397 3.503 12.241 1.00 0.00 O ATOM 802 CB ASP A 48 16.402 2.758 14.968 1.00 0.00 C ATOM 803 CG ASP A 48 16.660 1.278 14.699 1.00 0.00 C ATOM 804 OD1 ASP A 48 17.608 0.746 15.317 1.00 0.00 O ATOM 805 OD2 ASP A 48 15.916 0.707 13.873 1.00 0.00 O ATOM 0 H ASP A 48 16.761 4.992 15.821 1.00 0.00 H new ATOM 0 HA ASP A 48 18.526 3.097 14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.222 2.911 16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.501 3.075 14.443 1.00 0.00 H new ATOM 810 N LEU A 49 16.426 4.551 12.620 1.00 0.00 N ATOM 811 CA LEU A 49 16.133 4.909 11.237 1.00 0.00 C ATOM 812 C LEU A 49 17.332 5.671 10.712 1.00 0.00 C ATOM 813 O LEU A 49 17.885 5.323 9.677 1.00 0.00 O ATOM 814 CB LEU A 49 14.860 5.764 11.096 1.00 0.00 C ATOM 815 CG LEU A 49 13.762 5.440 12.112 1.00 0.00 C ATOM 816 CD1 LEU A 49 12.549 6.341 11.873 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.318 3.973 12.047 1.00 0.00 C ATOM 0 H LEU A 49 15.711 4.867 13.276 1.00 0.00 H new ATOM 0 HA LEU A 49 15.947 3.999 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.131 6.815 11.195 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.458 5.632 10.091 1.00 0.00 H new ATOM 0 HG LEU A 49 14.181 5.619 13.102 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.772 6.105 12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.844 7.385 11.983 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.166 6.176 10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.538 3.796 12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.930 3.754 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.170 3.325 12.255 1.00 0.00 H new ATOM 829 N PHE A 50 17.726 6.705 11.460 1.00 0.00 N ATOM 830 CA PHE A 50 18.891 7.535 11.169 1.00 0.00 C ATOM 831 C PHE A 50 20.049 6.654 10.698 1.00 0.00 C ATOM 832 O PHE A 50 20.553 6.841 9.593 1.00 0.00 O ATOM 833 CB PHE A 50 19.282 8.366 12.405 1.00 0.00 C ATOM 834 CG PHE A 50 20.766 8.666 12.584 1.00 0.00 C ATOM 835 CD1 PHE A 50 21.549 9.097 11.497 1.00 0.00 C ATOM 836 CD2 PHE A 50 21.393 8.382 13.812 1.00 0.00 C ATOM 837 CE1 PHE A 50 22.947 9.143 11.608 1.00 0.00 C ATOM 838 CE2 PHE A 50 22.790 8.463 13.935 1.00 0.00 C ATOM 839 CZ PHE A 50 23.572 8.809 12.821 1.00 0.00 C ATOM 0 H PHE A 50 17.230 6.992 12.304 1.00 0.00 H new ATOM 0 HA PHE A 50 18.645 8.233 10.368 1.00 0.00 H new ATOM 0 HB2 PHE A 50 18.746 9.314 12.362 1.00 0.00 H new ATOM 0 HB3 PHE A 50 18.931 7.841 13.293 1.00 0.00 H new ATOM 0 HD1 PHE A 50 21.072 9.393 10.574 1.00 0.00 H new ATOM 0 HD2 PHE A 50 20.795 8.100 14.666 1.00 0.00 H new ATOM 0 HE1 PHE A 50 23.545 9.436 10.758 1.00 0.00 H new ATOM 0 HE2 PHE A 50 23.262 8.259 14.885 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.649 8.818 12.897 1.00 0.00 H new ATOM 849 N GLN A 51 20.477 5.697 11.523 1.00 0.00 N ATOM 850 CA GLN A 51 21.588 4.839 11.149 1.00 0.00 C ATOM 851 C GLN A 51 21.277 3.976 9.926 1.00 0.00 C ATOM 852 O GLN A 51 22.127 3.858 9.048 1.00 0.00 O ATOM 853 CB GLN A 51 22.050 4.016 12.360 1.00 0.00 C ATOM 854 CG GLN A 51 23.051 4.842 13.179 1.00 0.00 C ATOM 855 CD GLN A 51 22.967 4.550 14.670 1.00 0.00 C ATOM 856 OE1 GLN A 51 23.846 3.923 15.258 1.00 0.00 O ATOM 857 NE2 GLN A 51 21.887 5.001 15.294 1.00 0.00 N ATOM 0 H GLN A 51 20.074 5.503 12.440 1.00 0.00 H new ATOM 0 HA GLN A 51 22.419 5.474 10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.194 3.743 12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 51 22.513 3.087 12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.062 4.634 12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.867 5.903 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.177 5.518 14.775 1.00 0.00 H new ATOM 0 HE22 GLN A 51 21.767 4.831 16.292 1.00 0.00 H new ATOM 866 N GLU A 52 20.080 3.388 9.844 1.00 0.00 N ATOM 867 CA GLU A 52 19.711 2.594 8.674 1.00 0.00 C ATOM 868 C GLU A 52 19.825 3.441 7.396 1.00 0.00 C ATOM 869 O GLU A 52 20.222 2.944 6.343 1.00 0.00 O ATOM 870 CB GLU A 52 18.288 2.040 8.836 1.00 0.00 C ATOM 871 CG GLU A 52 18.199 1.000 9.961 1.00 0.00 C ATOM 872 CD GLU A 52 16.757 0.563 10.194 1.00 0.00 C ATOM 873 OE1 GLU A 52 15.998 1.384 10.755 1.00 0.00 O ATOM 874 OE2 GLU A 52 16.433 -0.575 9.791 1.00 0.00 O ATOM 0 H GLU A 52 19.360 3.446 10.564 1.00 0.00 H new ATOM 0 HA GLU A 52 20.399 1.753 8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.602 2.860 9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.966 1.587 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 52 18.808 0.133 9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.608 1.419 10.880 1.00 0.00 H new ATOM 881 N LEU A 53 19.469 4.723 7.496 1.00 0.00 N ATOM 882 CA LEU A 53 19.509 5.689 6.411 1.00 0.00 C ATOM 883 C LEU A 53 20.952 6.088 6.085 1.00 0.00 C ATOM 884 O LEU A 53 21.334 6.081 4.920 1.00 0.00 O ATOM 885 CB LEU A 53 18.637 6.894 6.780 1.00 0.00 C ATOM 886 CG LEU A 53 17.150 6.536 6.927 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.443 7.553 7.827 1.00 0.00 C ATOM 888 CD2 LEU A 53 16.453 6.506 5.565 1.00 0.00 C ATOM 0 H LEU A 53 19.133 5.126 8.371 1.00 0.00 H new ATOM 0 HA LEU A 53 19.104 5.241 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.996 7.323 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 53 18.746 7.663 6.015 1.00 0.00 H new ATOM 0 HG LEU A 53 17.093 5.545 7.376 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.391 7.286 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.908 7.551 8.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.527 8.547 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.402 6.250 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.530 7.486 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.929 5.760 4.929 1.00 0.00 H new ATOM 900 N ASP A 54 21.749 6.438 7.095 1.00 0.00 N ATOM 901 CA ASP A 54 23.145 6.851 6.970 1.00 0.00 C ATOM 902 C ASP A 54 24.027 5.701 6.472 1.00 0.00 C ATOM 903 O ASP A 54 24.722 5.069 7.268 1.00 0.00 O ATOM 904 CB ASP A 54 23.640 7.307 8.348 1.00 0.00 C ATOM 905 CG ASP A 54 25.006 7.979 8.257 1.00 0.00 C ATOM 906 OD1 ASP A 54 25.654 7.902 7.190 1.00 0.00 O ATOM 907 OD2 ASP A 54 25.398 8.579 9.279 1.00 0.00 O ATOM 0 H ASP A 54 21.425 6.441 8.062 1.00 0.00 H new ATOM 0 HA ASP A 54 23.208 7.661 6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 54 22.920 8.001 8.783 1.00 0.00 H new ATOM 0 HB3 ASP A 54 23.700 6.448 9.017 1.00 0.00 H new ATOM 912 N LYS A 55 24.049 5.435 5.165 1.00 0.00 N ATOM 913 CA LYS A 55 24.905 4.394 4.597 1.00 0.00 C ATOM 914 C LYS A 55 26.382 4.609 4.972 1.00 0.00 C ATOM 915 O LYS A 55 27.151 3.652 5.021 1.00 0.00 O ATOM 916 CB LYS A 55 24.738 4.340 3.072 1.00 0.00 C ATOM 917 CG LYS A 55 23.323 3.900 2.662 1.00 0.00 C ATOM 918 CD LYS A 55 23.041 4.174 1.178 1.00 0.00 C ATOM 919 CE LYS A 55 23.986 3.410 0.243 1.00 0.00 C ATOM 920 NZ LYS A 55 23.636 3.639 -1.170 1.00 0.00 N ATOM 0 H LYS A 55 23.480 5.929 4.477 1.00 0.00 H new ATOM 0 HA LYS A 55 24.594 3.439 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.949 5.322 2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 55 25.469 3.649 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.202 2.836 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.589 4.425 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 22.011 3.898 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 23.134 5.243 0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 55 25.014 3.727 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 55 23.938 2.344 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.292 3.110 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.663 3.315 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 23.706 4.654 -1.385 1.00 0.00 H new ATOM 934 N ASN A 56 26.783 5.858 5.239 1.00 0.00 N ATOM 935 CA ASN A 56 28.153 6.205 5.610 1.00 0.00 C ATOM 936 C ASN A 56 28.447 5.877 7.083 1.00 0.00 C ATOM 937 O ASN A 56 29.608 5.864 7.480 1.00 0.00 O ATOM 938 CB ASN A 56 28.397 7.696 5.320 1.00 0.00 C ATOM 939 CG ASN A 56 29.853 8.027 4.983 1.00 0.00 C ATOM 940 OD1 ASN A 56 30.130 8.604 3.936 1.00 0.00 O ATOM 941 ND2 ASN A 56 30.809 7.670 5.835 1.00 0.00 N ATOM 0 H ASN A 56 26.156 6.662 5.202 1.00 0.00 H new ATOM 0 HA ASN A 56 28.836 5.603 5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 56 27.762 8.004 4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 56 28.092 8.281 6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 56 31.785 7.875 5.622 1.00 0.00 H new ATOM 0 HD22 ASN A 56 30.566 7.191 6.702 1.00 0.00 H new ATOM 948 N GLY A 57 27.421 5.620 7.904 1.00 0.00 N ATOM 949 CA GLY A 57 27.573 5.298 9.318 1.00 0.00 C ATOM 950 C GLY A 57 28.383 6.351 10.079 1.00 0.00 C ATOM 951 O GLY A 57 29.440 6.045 10.624 1.00 0.00 O ATOM 0 H GLY A 57 26.449 5.632 7.594 1.00 0.00 H new ATOM 0 HA2 GLY A 57 26.587 5.205 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 57 28.062 4.329 9.415 1.00 0.00 H new ATOM 955 N ASP A 58 27.881 7.589 10.124 1.00 0.00 N ATOM 956 CA ASP A 58 28.525 8.708 10.802 1.00 0.00 C ATOM 957 C ASP A 58 27.455 9.594 11.450 1.00 0.00 C ATOM 958 O ASP A 58 27.147 9.438 12.629 1.00 0.00 O ATOM 959 CB ASP A 58 29.410 9.460 9.794 1.00 0.00 C ATOM 960 CG ASP A 58 29.930 10.778 10.360 1.00 0.00 C ATOM 961 OD1 ASP A 58 30.761 10.713 11.290 1.00 0.00 O ATOM 962 OD2 ASP A 58 29.467 11.826 9.857 1.00 0.00 O ATOM 0 H ASP A 58 26.998 7.842 9.680 1.00 0.00 H new ATOM 0 HA ASP A 58 29.175 8.363 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 58 30.253 8.830 9.511 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.839 9.656 8.886 1.00 0.00 H new ATOM 967 N GLY A 59 26.881 10.519 10.682 1.00 0.00 N ATOM 968 CA GLY A 59 25.843 11.431 11.136 1.00 0.00 C ATOM 969 C GLY A 59 25.255 12.150 9.927 1.00 0.00 C ATOM 970 O GLY A 59 25.195 13.379 9.921 1.00 0.00 O ATOM 0 H GLY A 59 27.134 10.655 9.703 1.00 0.00 H new ATOM 0 HA2 GLY A 59 25.063 10.882 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 59 26.257 12.153 11.840 1.00 0.00 H new ATOM 974 N GLU A 60 24.851 11.377 8.910 1.00 0.00 N ATOM 975 CA GLU A 60 24.353 11.873 7.630 1.00 0.00 C ATOM 976 C GLU A 60 23.102 11.161 7.140 1.00 0.00 C ATOM 977 O GLU A 60 23.006 9.953 7.304 1.00 0.00 O ATOM 978 CB GLU A 60 25.389 11.511 6.557 1.00 0.00 C ATOM 979 CG GLU A 60 26.792 12.029 6.904 1.00 0.00 C ATOM 980 CD GLU A 60 27.733 11.920 5.711 1.00 0.00 C ATOM 981 OE1 GLU A 60 27.721 12.868 4.896 1.00 0.00 O ATOM 982 OE2 GLU A 60 28.439 10.891 5.638 1.00 0.00 O ATOM 0 H GLU A 60 24.864 10.358 8.962 1.00 0.00 H new ATOM 0 HA GLU A 60 24.156 12.935 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 25.423 10.428 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 25.077 11.927 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.729 13.068 7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.195 11.460 7.741 1.00 0.00 H new ATOM 989 N VAL A 61 22.188 11.880 6.488 1.00 0.00 N ATOM 990 CA VAL A 61 21.059 11.284 5.788 1.00 0.00 C ATOM 991 C VAL A 61 20.822 12.139 4.541 1.00 0.00 C ATOM 992 O VAL A 61 20.228 13.215 4.606 1.00 0.00 O ATOM 993 CB VAL A 61 19.816 11.088 6.674 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.733 10.398 5.845 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.107 10.208 7.895 1.00 0.00 C ATOM 0 H VAL A 61 22.214 12.898 6.433 1.00 0.00 H new ATOM 0 HA VAL A 61 21.287 10.260 5.494 1.00 0.00 H new ATOM 0 HB VAL A 61 19.500 12.070 7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.844 10.251 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.482 11.019 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 61 19.100 9.431 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.200 10.099 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.444 9.226 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.884 10.673 8.501 1.00 0.00 H new ATOM 1005 N SER A 62 21.327 11.656 3.402 1.00 0.00 N ATOM 1006 CA SER A 62 21.248 12.312 2.107 1.00 0.00 C ATOM 1007 C SER A 62 19.835 12.243 1.530 1.00 0.00 C ATOM 1008 O SER A 62 19.010 11.477 2.021 1.00 0.00 O ATOM 1009 CB SER A 62 22.251 11.654 1.159 1.00 0.00 C ATOM 1010 OG SER A 62 21.826 10.345 0.849 1.00 0.00 O ATOM 0 H SER A 62 21.819 10.763 3.362 1.00 0.00 H new ATOM 0 HA SER A 62 21.492 13.367 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 62 22.343 12.242 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 62 23.238 11.626 1.621 1.00 0.00 H new ATOM 0 HG SER A 62 21.842 9.795 1.660 1.00 0.00 H new ATOM 1016 N PHE A 63 19.549 13.023 0.482 1.00 0.00 N ATOM 1017 CA PHE A 63 18.240 13.001 -0.161 1.00 0.00 C ATOM 1018 C PHE A 63 17.868 11.584 -0.603 1.00 0.00 C ATOM 1019 O PHE A 63 16.791 11.088 -0.273 1.00 0.00 O ATOM 1020 CB PHE A 63 18.182 13.970 -1.349 1.00 0.00 C ATOM 1021 CG PHE A 63 16.805 14.006 -1.987 1.00 0.00 C ATOM 1022 CD1 PHE A 63 15.733 14.589 -1.285 1.00 0.00 C ATOM 1023 CD2 PHE A 63 16.548 13.263 -3.155 1.00 0.00 C ATOM 1024 CE1 PHE A 63 14.416 14.441 -1.752 1.00 0.00 C ATOM 1025 CE2 PHE A 63 15.229 13.113 -3.622 1.00 0.00 C ATOM 1026 CZ PHE A 63 14.164 13.705 -2.923 1.00 0.00 C ATOM 0 H PHE A 63 20.211 13.677 0.064 1.00 0.00 H new ATOM 0 HA PHE A 63 17.509 13.332 0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 63 18.452 14.971 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 63 18.919 13.674 -2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 63 15.924 15.152 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 63 17.365 12.807 -3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.597 14.893 -1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 63 15.035 12.542 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.152 13.595 -3.285 1.00 0.00 H new ATOM 1036 N GLU A 64 18.765 10.927 -1.346 1.00 0.00 N ATOM 1037 CA GLU A 64 18.519 9.579 -1.840 1.00 0.00 C ATOM 1038 C GLU A 64 18.089 8.638 -0.707 1.00 0.00 C ATOM 1039 O GLU A 64 17.139 7.873 -0.874 1.00 0.00 O ATOM 1040 CB GLU A 64 19.708 9.053 -2.659 1.00 0.00 C ATOM 1041 CG GLU A 64 21.060 9.114 -1.936 1.00 0.00 C ATOM 1042 CD GLU A 64 22.168 8.489 -2.776 1.00 0.00 C ATOM 1043 OE1 GLU A 64 22.626 9.181 -3.711 1.00 0.00 O ATOM 1044 OE2 GLU A 64 22.528 7.330 -2.473 1.00 0.00 O ATOM 0 H GLU A 64 19.669 11.314 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 64 17.678 9.617 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.508 8.019 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.779 9.628 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.310 10.152 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.988 8.594 -0.981 1.00 0.00 H new ATOM 1051 N GLU A 65 18.774 8.715 0.439 1.00 0.00 N ATOM 1052 CA GLU A 65 18.473 7.911 1.616 1.00 0.00 C ATOM 1053 C GLU A 65 17.126 8.353 2.211 1.00 0.00 C ATOM 1054 O GLU A 65 16.271 7.523 2.504 1.00 0.00 O ATOM 1055 CB GLU A 65 19.623 8.047 2.628 1.00 0.00 C ATOM 1056 CG GLU A 65 20.930 7.413 2.107 1.00 0.00 C ATOM 1057 CD GLU A 65 22.178 7.864 2.870 1.00 0.00 C ATOM 1058 OE1 GLU A 65 22.211 9.054 3.252 1.00 0.00 O ATOM 1059 OE2 GLU A 65 23.108 7.044 3.010 1.00 0.00 O ATOM 0 H GLU A 65 19.563 9.348 0.571 1.00 0.00 H new ATOM 0 HA GLU A 65 18.384 6.858 1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.793 9.102 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 65 19.338 7.571 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 65 20.848 6.328 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.049 7.662 1.053 1.00 0.00 H new ATOM 1066 N PHE A 66 16.936 9.666 2.380 1.00 0.00 N ATOM 1067 CA PHE A 66 15.738 10.297 2.931 1.00 0.00 C ATOM 1068 C PHE A 66 14.456 9.757 2.292 1.00 0.00 C ATOM 1069 O PHE A 66 13.445 9.607 2.974 1.00 0.00 O ATOM 1070 CB PHE A 66 15.847 11.818 2.784 1.00 0.00 C ATOM 1071 CG PHE A 66 14.732 12.614 3.432 1.00 0.00 C ATOM 1072 CD1 PHE A 66 14.812 12.950 4.795 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.668 13.107 2.651 1.00 0.00 C ATOM 1074 CE1 PHE A 66 13.842 13.789 5.372 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.699 13.946 3.229 1.00 0.00 C ATOM 1076 CZ PHE A 66 12.786 14.288 4.590 1.00 0.00 C ATOM 0 H PHE A 66 17.650 10.348 2.123 1.00 0.00 H new ATOM 0 HA PHE A 66 15.675 10.049 3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.797 12.140 3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.876 12.063 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.619 12.563 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.597 12.840 1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 66 13.909 14.050 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.888 14.328 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.042 14.933 5.034 1.00 0.00 H new ATOM 1086 N GLN A 67 14.486 9.444 0.993 1.00 0.00 N ATOM 1087 CA GLN A 67 13.337 8.851 0.312 1.00 0.00 C ATOM 1088 C GLN A 67 12.801 7.650 1.111 1.00 0.00 C ATOM 1089 O GLN A 67 11.592 7.470 1.242 1.00 0.00 O ATOM 1090 CB GLN A 67 13.735 8.391 -1.094 1.00 0.00 C ATOM 1091 CG GLN A 67 14.156 9.555 -1.999 1.00 0.00 C ATOM 1092 CD GLN A 67 14.682 9.057 -3.339 1.00 0.00 C ATOM 1093 OE1 GLN A 67 14.184 9.441 -4.392 1.00 0.00 O ATOM 1094 NE2 GLN A 67 15.698 8.199 -3.316 1.00 0.00 N ATOM 0 H GLN A 67 15.297 9.593 0.393 1.00 0.00 H new ATOM 0 HA GLN A 67 12.555 9.607 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.556 7.678 -1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.897 7.865 -1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.305 10.216 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.926 10.145 -1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.091 7.898 -2.424 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.084 7.842 -4.190 1.00 0.00 H new ATOM 1103 N VAL A 68 13.706 6.834 1.663 1.00 0.00 N ATOM 1104 CA VAL A 68 13.329 5.675 2.454 1.00 0.00 C ATOM 1105 C VAL A 68 12.623 6.159 3.722 1.00 0.00 C ATOM 1106 O VAL A 68 11.571 5.631 4.069 1.00 0.00 O ATOM 1107 CB VAL A 68 14.552 4.790 2.752 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.150 3.551 3.562 1.00 0.00 C ATOM 1109 CG2 VAL A 68 15.231 4.338 1.452 1.00 0.00 C ATOM 0 H VAL A 68 14.713 6.964 1.570 1.00 0.00 H new ATOM 0 HA VAL A 68 12.636 5.045 1.895 1.00 0.00 H new ATOM 0 HB VAL A 68 15.251 5.390 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.033 2.943 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.706 3.863 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.425 2.966 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.093 3.714 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 68 14.523 3.766 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.560 5.212 0.890 1.00 0.00 H new ATOM 1119 N LEU A 69 13.171 7.170 4.407 1.00 0.00 N ATOM 1120 CA LEU A 69 12.547 7.719 5.609 1.00 0.00 C ATOM 1121 C LEU A 69 11.112 8.120 5.278 1.00 0.00 C ATOM 1122 O LEU A 69 10.192 7.757 6.005 1.00 0.00 O ATOM 1123 CB LEU A 69 13.344 8.909 6.163 1.00 0.00 C ATOM 1124 CG LEU A 69 12.703 9.563 7.401 1.00 0.00 C ATOM 1125 CD1 LEU A 69 12.526 8.598 8.580 1.00 0.00 C ATOM 1126 CD2 LEU A 69 13.568 10.748 7.844 1.00 0.00 C ATOM 0 H LEU A 69 14.047 7.623 4.146 1.00 0.00 H new ATOM 0 HA LEU A 69 12.540 6.958 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.349 8.573 6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.449 9.660 5.380 1.00 0.00 H new ATOM 0 HG LEU A 69 11.704 9.887 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.069 9.126 9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.884 7.770 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 69 13.499 8.211 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.121 11.217 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.569 10.395 8.092 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.630 11.476 7.035 1.00 0.00 H new ATOM 1138 N VAL A 70 10.930 8.853 4.175 1.00 0.00 N ATOM 1139 CA VAL A 70 9.613 9.280 3.724 1.00 0.00 C ATOM 1140 C VAL A 70 8.710 8.052 3.542 1.00 0.00 C ATOM 1141 O VAL A 70 7.601 8.007 4.073 1.00 0.00 O ATOM 1142 CB VAL A 70 9.728 10.131 2.445 1.00 0.00 C ATOM 1143 CG1 VAL A 70 8.352 10.453 1.849 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.451 11.450 2.747 1.00 0.00 C ATOM 0 H VAL A 70 11.694 9.164 3.575 1.00 0.00 H new ATOM 0 HA VAL A 70 9.152 9.918 4.478 1.00 0.00 H new ATOM 0 HB VAL A 70 10.295 9.545 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.477 11.054 0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.838 9.525 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.761 11.009 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.525 12.041 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.891 12.009 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.451 11.238 3.125 1.00 0.00 H new ATOM 1154 N LYS A 71 9.174 7.040 2.803 1.00 0.00 N ATOM 1155 CA LYS A 71 8.386 5.828 2.611 1.00 0.00 C ATOM 1156 C LYS A 71 8.002 5.213 3.964 1.00 0.00 C ATOM 1157 O LYS A 71 6.876 4.753 4.135 1.00 0.00 O ATOM 1158 CB LYS A 71 9.141 4.826 1.726 1.00 0.00 C ATOM 1159 CG LYS A 71 9.266 5.295 0.268 1.00 0.00 C ATOM 1160 CD LYS A 71 7.964 5.067 -0.516 1.00 0.00 C ATOM 1161 CE LYS A 71 8.050 5.621 -1.943 1.00 0.00 C ATOM 1162 NZ LYS A 71 9.087 4.945 -2.741 1.00 0.00 N ATOM 0 H LYS A 71 10.080 7.038 2.335 1.00 0.00 H new ATOM 0 HA LYS A 71 7.462 6.090 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.137 4.664 2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.626 3.866 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.523 6.354 0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.082 4.760 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.745 4.000 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.136 5.544 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.084 5.506 -2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.263 6.689 -1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.052 5.292 -3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.023 5.146 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.919 3.919 -2.731 1.00 0.00 H new ATOM 1176 N LYS A 72 8.927 5.206 4.928 1.00 0.00 N ATOM 1177 CA LYS A 72 8.702 4.663 6.259 1.00 0.00 C ATOM 1178 C LYS A 72 8.047 5.639 7.252 1.00 0.00 C ATOM 1179 O LYS A 72 8.176 5.402 8.457 1.00 0.00 O ATOM 1180 CB LYS A 72 10.016 4.084 6.816 1.00 0.00 C ATOM 1181 CG LYS A 72 10.687 3.031 5.919 1.00 0.00 C ATOM 1182 CD LYS A 72 9.708 1.954 5.447 1.00 0.00 C ATOM 1183 CE LYS A 72 10.460 0.813 4.753 1.00 0.00 C ATOM 1184 NZ LYS A 72 9.534 -0.232 4.286 1.00 0.00 N ATOM 0 H LYS A 72 9.865 5.584 4.798 1.00 0.00 H new ATOM 0 HA LYS A 72 7.967 3.866 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.717 4.902 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.816 3.637 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.126 3.524 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.504 2.560 6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.149 1.565 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.982 2.390 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.023 1.207 3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.184 0.379 5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.073 -0.990 3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.015 -0.624 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.860 0.179 3.609 1.00 0.00 H new ATOM 1198 N ILE A 73 7.336 6.698 6.819 1.00 0.00 N ATOM 1199 CA ILE A 73 6.626 7.576 7.763 1.00 0.00 C ATOM 1200 C ILE A 73 5.460 6.756 8.337 1.00 0.00 C ATOM 1201 O ILE A 73 4.319 6.847 7.889 1.00 0.00 O ATOM 1202 CB ILE A 73 6.145 8.901 7.129 1.00 0.00 C ATOM 1203 CG1 ILE A 73 7.321 9.759 6.629 1.00 0.00 C ATOM 1204 CG2 ILE A 73 5.364 9.738 8.162 1.00 0.00 C ATOM 1205 CD1 ILE A 73 6.868 10.789 5.585 1.00 0.00 C ATOM 0 H ILE A 73 7.240 6.962 5.838 1.00 0.00 H new ATOM 0 HA ILE A 73 7.309 7.893 8.551 1.00 0.00 H new ATOM 0 HB ILE A 73 5.510 8.630 6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.781 10.274 7.473 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.084 9.113 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.032 10.668 7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.497 9.174 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.010 9.964 9.010 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.726 11.375 5.256 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.432 10.273 4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.124 11.451 6.027 1.00 0.00 H new ATOM 1217 N SER A 74 5.767 5.927 9.329 1.00 0.00 N ATOM 1218 CA SER A 74 4.841 5.027 9.984 1.00 0.00 C ATOM 1219 C SER A 74 4.057 5.770 11.057 1.00 0.00 C ATOM 1220 O SER A 74 4.639 6.343 11.974 1.00 0.00 O ATOM 1221 CB SER A 74 5.647 3.859 10.563 1.00 0.00 C ATOM 1222 OG SER A 74 6.510 3.324 9.573 1.00 0.00 O ATOM 0 H SER A 74 6.711 5.866 9.711 1.00 0.00 H new ATOM 0 HA SER A 74 4.110 4.637 9.276 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.230 4.198 11.419 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.971 3.084 10.924 1.00 0.00 H new ATOM 0 HG SER A 74 7.173 3.999 9.317 1.00 0.00 H new ATOM 1228 N GLN A 75 2.733 5.759 10.933 1.00 0.00 N ATOM 1229 CA GLN A 75 1.812 6.464 11.809 1.00 0.00 C ATOM 1230 C GLN A 75 1.041 5.474 12.684 1.00 0.00 C ATOM 1231 O GLN A 75 0.914 4.320 12.277 1.00 0.00 O ATOM 1232 CB GLN A 75 0.876 7.304 10.931 1.00 0.00 C ATOM 1233 CG GLN A 75 1.667 8.023 9.823 1.00 0.00 C ATOM 1234 CD GLN A 75 0.790 9.019 9.073 1.00 0.00 C ATOM 1235 OE1 GLN A 75 0.280 8.725 7.998 1.00 0.00 O ATOM 1236 NE2 GLN A 75 0.600 10.209 9.635 1.00 0.00 N ATOM 1237 OXT GLN A 75 0.690 5.840 13.803 1.00 0.00 O ATOM 0 H GLN A 75 2.259 5.240 10.194 1.00 0.00 H new ATOM 0 HA GLN A 75 2.353 7.122 12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.116 6.663 10.484 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.354 8.037 11.546 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.519 8.543 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.067 7.289 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.037 10.426 10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.017 10.905 9.170 1.00 0.00 H new TER 1246 GLN A 75