USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 80 HIS : no HD1:sc= -0.187 X(o=-0.17,f=-0.04) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -175:sc= 0.018 (180deg=-0.0142) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.000388 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.18 (180deg=1.09) USER MOD Single : A 53 LYS NZ :NH3+ 135:sc= 1.38 (180deg=-0.99) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 58 ASN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 1.17 (180deg=1.01) USER MOD Single : A 68 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : A 77 GLN : amide:sc= 0.898 K(o=0.9,f=-6.4!) USER MOD Single : A 78 CYS SG : rot 80:sc= 0.141 USER MOD Single : A 79 GLN : amide:sc= 0.404 X(o=0.4,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.0148 K(o=-0.015,f=-0.93!) USER MOD Single : A 87 ASN : amide:sc= 0.438 X(o=0.44,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 3.267 -12.628 -11.191 1.00 0.00 N ATOM 2 CA LEU A 38 4.098 -13.835 -11.045 1.00 0.00 C ATOM 3 C LEU A 38 5.503 -13.442 -10.599 1.00 0.00 C ATOM 4 O LEU A 38 6.110 -12.547 -11.186 1.00 0.00 O ATOM 5 CB LEU A 38 4.144 -14.608 -12.373 1.00 0.00 C ATOM 6 CG LEU A 38 4.978 -15.894 -12.232 1.00 0.00 C ATOM 7 CD1 LEU A 38 4.295 -16.867 -11.264 1.00 0.00 C ATOM 8 CD2 LEU A 38 5.111 -16.559 -13.604 1.00 0.00 C ATOM 0 HA LEU A 38 3.661 -14.485 -10.287 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.131 -14.859 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.572 -13.976 -13.151 1.00 0.00 H new ATOM 0 HG LEU A 38 5.963 -15.638 -11.842 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.896 -17.772 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.197 -16.398 -10.285 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.306 -17.124 -11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.701 -17.471 -13.511 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.120 -16.805 -13.987 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.606 -15.875 -14.293 1.00 0.00 H new ATOM 22 N GLY A 39 6.016 -14.109 -9.558 1.00 0.00 N ATOM 23 CA GLY A 39 7.342 -13.823 -9.035 1.00 0.00 C ATOM 24 C GLY A 39 7.346 -12.481 -8.304 1.00 0.00 C ATOM 25 O GLY A 39 6.286 -11.935 -7.993 1.00 0.00 O ATOM 0 H GLY A 39 5.523 -14.853 -9.064 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.651 -14.616 -8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.065 -13.803 -9.850 1.00 0.00 H new ATOM 29 N LYS A 40 8.545 -11.954 -8.031 1.00 0.00 N ATOM 30 CA LYS A 40 8.698 -10.684 -7.340 1.00 0.00 C ATOM 31 C LYS A 40 10.043 -10.068 -7.719 1.00 0.00 C ATOM 32 O LYS A 40 11.076 -10.728 -7.616 1.00 0.00 O ATOM 33 CB LYS A 40 8.605 -10.921 -5.827 1.00 0.00 C ATOM 34 CG LYS A 40 8.555 -9.581 -5.089 1.00 0.00 C ATOM 35 CD LYS A 40 8.362 -9.830 -3.592 1.00 0.00 C ATOM 36 CE LYS A 40 8.338 -8.493 -2.847 1.00 0.00 C ATOM 37 NZ LYS A 40 8.154 -8.697 -1.399 1.00 0.00 N ATOM 0 H LYS A 40 9.427 -12.399 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 40 7.907 -9.993 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.715 -11.506 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.464 -11.500 -5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.477 -9.025 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.738 -8.971 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.431 -10.370 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.169 -10.456 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.269 -7.956 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.532 -7.871 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.141 -7.775 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.253 -9.189 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.937 -9.271 -1.027 1.00 0.00 H new ATOM 51 N THR A 41 10.024 -8.802 -8.165 1.00 0.00 N ATOM 52 CA THR A 41 11.236 -8.098 -8.576 1.00 0.00 C ATOM 53 C THR A 41 11.952 -8.907 -9.667 1.00 0.00 C ATOM 54 O THR A 41 13.173 -9.077 -9.630 1.00 0.00 O ATOM 55 CB THR A 41 12.141 -7.872 -7.349 1.00 0.00 C ATOM 56 OG1 THR A 41 11.345 -7.564 -6.222 1.00 0.00 O ATOM 57 CG2 THR A 41 13.097 -6.706 -7.613 1.00 0.00 C ATOM 0 H THR A 41 9.173 -8.247 -8.248 1.00 0.00 H new ATOM 0 HA THR A 41 10.983 -7.122 -8.991 1.00 0.00 H new ATOM 0 HB THR A 41 12.714 -8.780 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.922 -7.422 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.733 -6.553 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.718 -6.933 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.522 -5.801 -7.806 1.00 0.00 H new ATOM 65 N ARG A 42 11.172 -9.410 -10.639 1.00 0.00 N ATOM 66 CA ARG A 42 11.699 -10.227 -11.723 1.00 0.00 C ATOM 67 C ARG A 42 12.753 -9.459 -12.524 1.00 0.00 C ATOM 68 O ARG A 42 12.860 -8.237 -12.411 1.00 0.00 O ATOM 69 CB ARG A 42 10.547 -10.682 -12.629 1.00 0.00 C ATOM 70 CG ARG A 42 9.908 -9.472 -13.330 1.00 0.00 C ATOM 71 CD ARG A 42 8.818 -9.943 -14.303 1.00 0.00 C ATOM 72 NE ARG A 42 9.325 -10.971 -15.227 1.00 0.00 N ATOM 73 CZ ARG A 42 10.277 -10.738 -16.150 1.00 0.00 C ATOM 74 NH1 ARG A 42 10.715 -9.492 -16.373 1.00 0.00 N ATOM 75 NH2 ARG A 42 10.791 -11.758 -16.847 1.00 0.00 N ATOM 0 H ARG A 42 10.165 -9.257 -10.687 1.00 0.00 H new ATOM 0 HA ARG A 42 12.185 -11.106 -11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.917 -11.388 -13.373 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.796 -11.207 -12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.479 -8.797 -12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.670 -8.910 -13.870 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.975 -10.343 -13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.446 -9.092 -14.873 1.00 0.00 H new ATOM 0 HE ARG A 42 8.934 -11.911 -15.164 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.327 -8.712 -15.842 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.437 -9.323 -17.074 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.461 -12.708 -16.678 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.512 -11.585 -17.547 1.00 0.00 H new ATOM 89 N TRP A 43 13.528 -10.193 -13.331 1.00 0.00 N ATOM 90 CA TRP A 43 14.596 -9.620 -14.139 1.00 0.00 C ATOM 91 C TRP A 43 14.209 -9.628 -15.619 1.00 0.00 C ATOM 92 O TRP A 43 13.488 -10.520 -16.070 1.00 0.00 O ATOM 93 CB TRP A 43 15.868 -10.440 -13.910 1.00 0.00 C ATOM 94 CG TRP A 43 16.691 -9.995 -12.742 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.343 -10.084 -11.446 1.00 0.00 C ATOM 96 CD2 TRP A 43 18.005 -9.371 -12.746 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.327 -9.563 -10.636 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.388 -9.101 -11.395 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.915 -9.000 -13.756 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.605 -8.493 -11.071 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.135 -8.375 -13.439 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.483 -8.124 -12.099 1.00 0.00 C ATOM 0 H TRP A 43 13.427 -11.202 -13.438 1.00 0.00 H new ATOM 0 HA TRP A 43 14.768 -8.584 -13.847 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.591 -11.484 -13.766 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.482 -10.394 -14.810 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.416 -10.507 -11.089 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.280 -9.523 -9.618 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.672 -9.199 -14.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.866 -8.310 -10.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.810 -8.085 -14.231 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.424 -7.649 -11.863 1.00 0.00 H new ATOM 113 N THR A 44 14.698 -8.629 -16.374 1.00 0.00 N ATOM 114 CA THR A 44 14.436 -8.526 -17.807 1.00 0.00 C ATOM 115 C THR A 44 15.652 -9.042 -18.579 1.00 0.00 C ATOM 116 O THR A 44 16.737 -9.176 -18.014 1.00 0.00 O ATOM 117 CB THR A 44 14.132 -7.068 -18.177 1.00 0.00 C ATOM 118 OG1 THR A 44 15.248 -6.261 -17.878 1.00 0.00 O ATOM 119 CG2 THR A 44 12.917 -6.570 -17.390 1.00 0.00 C ATOM 0 H THR A 44 15.281 -7.878 -16.004 1.00 0.00 H new ATOM 0 HA THR A 44 13.569 -9.132 -18.070 1.00 0.00 H new ATOM 0 HB THR A 44 13.916 -7.011 -19.244 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.052 -5.331 -18.117 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.709 -5.534 -17.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.051 -7.188 -17.628 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.125 -6.633 -16.322 1.00 0.00 H new ATOM 127 N ARG A 45 15.465 -9.337 -19.874 1.00 0.00 N ATOM 128 CA ARG A 45 16.534 -9.868 -20.709 1.00 0.00 C ATOM 129 C ARG A 45 17.748 -8.936 -20.697 1.00 0.00 C ATOM 130 O ARG A 45 18.854 -9.379 -20.415 1.00 0.00 O ATOM 131 CB ARG A 45 16.024 -10.057 -22.144 1.00 0.00 C ATOM 132 CG ARG A 45 17.120 -10.722 -22.990 1.00 0.00 C ATOM 133 CD ARG A 45 16.818 -10.560 -24.481 1.00 0.00 C ATOM 134 NE ARG A 45 18.069 -10.530 -25.249 1.00 0.00 N ATOM 135 CZ ARG A 45 18.119 -10.479 -26.587 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.991 -10.504 -27.311 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.307 -10.401 -27.194 1.00 0.00 N ATOM 0 H ARG A 45 14.577 -9.213 -20.360 1.00 0.00 H new ATOM 0 HA ARG A 45 16.844 -10.833 -20.307 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.125 -10.673 -22.144 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.751 -9.094 -22.575 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.087 -10.276 -22.758 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.189 -11.781 -22.740 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.191 -11.383 -24.824 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.257 -9.640 -24.649 1.00 0.00 H new ATOM 0 HE ARG A 45 18.950 -10.549 -24.735 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.086 -10.562 -26.844 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.038 -10.465 -28.329 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.163 -10.381 -26.639 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.358 -10.362 -28.212 1.00 0.00 H new ATOM 151 N GLU A 46 17.539 -7.653 -21.020 1.00 0.00 N ATOM 152 CA GLU A 46 18.626 -6.684 -21.092 1.00 0.00 C ATOM 153 C GLU A 46 19.429 -6.674 -19.790 1.00 0.00 C ATOM 154 O GLU A 46 20.658 -6.746 -19.818 1.00 0.00 O ATOM 155 CB GLU A 46 18.048 -5.295 -21.381 1.00 0.00 C ATOM 156 CG GLU A 46 19.181 -4.329 -21.744 1.00 0.00 C ATOM 157 CD GLU A 46 18.668 -2.899 -21.845 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.607 -2.719 -22.480 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.349 -2.012 -21.284 1.00 0.00 O ATOM 0 H GLU A 46 16.620 -7.266 -21.236 1.00 0.00 H new ATOM 0 HA GLU A 46 19.303 -6.966 -21.898 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.330 -5.352 -22.199 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.508 -4.926 -20.509 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.967 -4.385 -20.990 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.628 -4.627 -22.693 1.00 0.00 H new ATOM 166 N GLU A 47 18.734 -6.580 -18.653 1.00 0.00 N ATOM 167 CA GLU A 47 19.380 -6.538 -17.349 1.00 0.00 C ATOM 168 C GLU A 47 20.235 -7.794 -17.158 1.00 0.00 C ATOM 169 O GLU A 47 21.384 -7.706 -16.722 1.00 0.00 O ATOM 170 CB GLU A 47 18.302 -6.445 -16.263 1.00 0.00 C ATOM 171 CG GLU A 47 18.457 -5.144 -15.474 1.00 0.00 C ATOM 172 CD GLU A 47 17.269 -4.922 -14.543 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.292 -5.697 -14.656 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.357 -3.981 -13.728 1.00 0.00 O ATOM 0 H GLU A 47 17.716 -6.532 -18.616 1.00 0.00 H new ATOM 0 HA GLU A 47 20.031 -5.666 -17.280 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.312 -6.487 -16.718 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.379 -7.299 -15.590 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.378 -5.175 -14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.544 -4.305 -16.164 1.00 0.00 H new ATOM 181 N ASP A 48 19.671 -8.962 -17.487 1.00 0.00 N ATOM 182 CA ASP A 48 20.378 -10.227 -17.348 1.00 0.00 C ATOM 183 C ASP A 48 21.607 -10.256 -18.254 1.00 0.00 C ATOM 184 O ASP A 48 22.674 -10.679 -17.825 1.00 0.00 O ATOM 185 CB ASP A 48 19.434 -11.389 -17.679 1.00 0.00 C ATOM 186 CG ASP A 48 19.304 -12.326 -16.490 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.563 -11.959 -15.553 1.00 0.00 O ATOM 188 OD2 ASP A 48 19.949 -13.393 -16.537 1.00 0.00 O ATOM 0 H ASP A 48 18.723 -9.050 -17.852 1.00 0.00 H new ATOM 0 HA ASP A 48 20.716 -10.332 -16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.453 -11.001 -17.953 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.812 -11.937 -18.542 1.00 0.00 H new ATOM 193 N GLU A 49 21.456 -9.808 -19.507 1.00 0.00 N ATOM 194 CA GLU A 49 22.559 -9.784 -20.457 1.00 0.00 C ATOM 195 C GLU A 49 23.668 -8.874 -19.937 1.00 0.00 C ATOM 196 O GLU A 49 24.849 -9.198 -20.075 1.00 0.00 O ATOM 197 CB GLU A 49 22.059 -9.302 -21.828 1.00 0.00 C ATOM 198 CG GLU A 49 21.658 -10.505 -22.696 1.00 0.00 C ATOM 199 CD GLU A 49 21.786 -10.176 -24.180 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.928 -9.873 -24.595 1.00 0.00 O ATOM 201 OE2 GLU A 49 20.746 -10.235 -24.872 1.00 0.00 O ATOM 0 H GLU A 49 20.574 -9.457 -19.881 1.00 0.00 H new ATOM 0 HA GLU A 49 22.960 -10.791 -20.571 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.206 -8.636 -21.699 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.839 -8.727 -22.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.290 -11.359 -22.454 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.631 -10.794 -22.471 1.00 0.00 H new ATOM 208 N LYS A 50 23.290 -7.739 -19.337 1.00 0.00 N ATOM 209 CA LYS A 50 24.254 -6.808 -18.777 1.00 0.00 C ATOM 210 C LYS A 50 25.015 -7.489 -17.642 1.00 0.00 C ATOM 211 O LYS A 50 26.242 -7.427 -17.598 1.00 0.00 O ATOM 212 CB LYS A 50 23.532 -5.552 -18.274 1.00 0.00 C ATOM 213 CG LYS A 50 23.197 -4.635 -19.458 1.00 0.00 C ATOM 214 CD LYS A 50 22.143 -3.593 -19.047 1.00 0.00 C ATOM 215 CE LYS A 50 22.580 -2.836 -17.784 1.00 0.00 C ATOM 216 NZ LYS A 50 23.894 -2.191 -17.961 1.00 0.00 N ATOM 0 H LYS A 50 22.318 -7.450 -19.231 1.00 0.00 H new ATOM 0 HA LYS A 50 24.967 -6.508 -19.545 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.618 -5.832 -17.749 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.161 -5.022 -17.558 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.100 -4.132 -19.803 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.824 -5.229 -20.292 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.987 -2.887 -19.863 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.189 -4.088 -18.867 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.834 -2.080 -17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.625 -3.527 -16.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.163 -1.704 -17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.607 -2.913 -18.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.840 -1.500 -18.737 1.00 0.00 H new ATOM 230 N LEU A 51 24.288 -8.146 -16.723 1.00 0.00 N ATOM 231 CA LEU A 51 24.911 -8.831 -15.602 1.00 0.00 C ATOM 232 C LEU A 51 25.844 -9.923 -16.121 1.00 0.00 C ATOM 233 O LEU A 51 26.948 -10.082 -15.612 1.00 0.00 O ATOM 234 CB LEU A 51 23.827 -9.420 -14.687 1.00 0.00 C ATOM 235 CG LEU A 51 24.470 -10.129 -13.480 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.291 -9.134 -12.657 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.376 -10.721 -12.594 1.00 0.00 C ATOM 0 H LEU A 51 23.270 -8.211 -16.743 1.00 0.00 H new ATOM 0 HA LEU A 51 25.502 -8.123 -15.021 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.164 -8.627 -14.340 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.214 -10.126 -15.247 1.00 0.00 H new ATOM 0 HG LEU A 51 25.124 -10.920 -13.846 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.740 -9.648 -11.807 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.077 -8.708 -13.280 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.641 -8.336 -12.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.831 -11.223 -11.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.723 -9.923 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.792 -11.440 -13.168 1.00 0.00 H new ATOM 249 N LYS A 52 25.397 -10.671 -17.137 1.00 0.00 N ATOM 250 CA LYS A 52 26.194 -11.736 -17.727 1.00 0.00 C ATOM 251 C LYS A 52 27.557 -11.189 -18.138 1.00 0.00 C ATOM 252 O LYS A 52 28.585 -11.677 -17.687 1.00 0.00 O ATOM 253 CB LYS A 52 25.461 -12.318 -18.953 1.00 0.00 C ATOM 254 CG LYS A 52 25.248 -13.827 -18.783 1.00 0.00 C ATOM 255 CD LYS A 52 23.943 -14.095 -18.021 1.00 0.00 C ATOM 256 CE LYS A 52 22.757 -14.064 -18.993 1.00 0.00 C ATOM 257 NZ LYS A 52 21.519 -14.518 -18.335 1.00 0.00 N ATOM 0 H LYS A 52 24.479 -10.551 -17.565 1.00 0.00 H new ATOM 0 HA LYS A 52 26.338 -12.530 -16.994 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.499 -11.821 -19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.040 -12.126 -19.856 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.213 -14.309 -19.760 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.089 -14.262 -18.243 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.993 -15.064 -17.525 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.806 -13.345 -17.242 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.620 -13.051 -19.372 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.970 -14.700 -19.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.818 -14.779 -19.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.726 -15.345 -17.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.139 -13.751 -17.744 1.00 0.00 H new ATOM 271 N LYS A 53 27.550 -10.171 -19.002 1.00 0.00 N ATOM 272 CA LYS A 53 28.773 -9.573 -19.514 1.00 0.00 C ATOM 273 C LYS A 53 29.639 -9.039 -18.370 1.00 0.00 C ATOM 274 O LYS A 53 30.845 -9.269 -18.352 1.00 0.00 O ATOM 275 CB LYS A 53 28.403 -8.452 -20.490 1.00 0.00 C ATOM 276 CG LYS A 53 27.738 -9.053 -21.735 1.00 0.00 C ATOM 277 CD LYS A 53 26.936 -7.970 -22.466 1.00 0.00 C ATOM 278 CE LYS A 53 26.180 -8.583 -23.651 1.00 0.00 C ATOM 279 NZ LYS A 53 25.249 -9.638 -23.206 1.00 0.00 N ATOM 0 H LYS A 53 26.697 -9.743 -19.362 1.00 0.00 H new ATOM 0 HA LYS A 53 29.357 -10.330 -20.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.726 -7.746 -20.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.295 -7.895 -20.775 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.496 -9.469 -22.399 1.00 0.00 H new ATOM 0 HG3 LYS A 53 27.081 -9.874 -21.448 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.232 -7.502 -21.778 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.606 -7.186 -22.819 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.626 -7.803 -24.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.892 -9.000 -24.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.333 -9.517 -23.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.642 -10.571 -23.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.115 -9.571 -22.177 1.00 0.00 H new ATOM 293 N LEU A 54 29.028 -8.324 -17.419 1.00 0.00 N ATOM 294 CA LEU A 54 29.761 -7.745 -16.299 1.00 0.00 C ATOM 295 C LEU A 54 30.452 -8.839 -15.478 1.00 0.00 C ATOM 296 O LEU A 54 31.612 -8.684 -15.105 1.00 0.00 O ATOM 297 CB LEU A 54 28.800 -6.934 -15.421 1.00 0.00 C ATOM 298 CG LEU A 54 28.418 -5.621 -16.124 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.157 -5.044 -15.478 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.559 -4.606 -15.997 1.00 0.00 C ATOM 0 H LEU A 54 28.026 -8.135 -17.407 1.00 0.00 H new ATOM 0 HA LEU A 54 30.534 -7.082 -16.687 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.903 -7.519 -15.214 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.268 -6.718 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 54 28.233 -5.824 -17.179 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.886 -4.113 -15.976 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.339 -5.758 -15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.346 -4.849 -14.422 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.279 -3.679 -16.498 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.751 -4.405 -14.943 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.459 -5.011 -16.459 1.00 0.00 H new ATOM 312 N VAL A 55 29.744 -9.939 -15.196 1.00 0.00 N ATOM 313 CA VAL A 55 30.302 -11.041 -14.417 1.00 0.00 C ATOM 314 C VAL A 55 31.404 -11.737 -15.218 1.00 0.00 C ATOM 315 O VAL A 55 32.471 -12.022 -14.683 1.00 0.00 O ATOM 316 CB VAL A 55 29.179 -12.024 -14.044 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.777 -13.330 -13.508 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.291 -11.401 -12.963 1.00 0.00 C ATOM 0 H VAL A 55 28.781 -10.086 -15.499 1.00 0.00 H new ATOM 0 HA VAL A 55 30.744 -10.658 -13.497 1.00 0.00 H new ATOM 0 HB VAL A 55 28.587 -12.236 -14.934 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.973 -14.018 -13.247 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.408 -13.782 -14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.376 -13.119 -12.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.496 -12.098 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.891 -11.184 -12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.853 -10.477 -13.340 1.00 0.00 H new ATOM 328 N GLU A 56 31.142 -12.010 -16.500 1.00 0.00 N ATOM 329 CA GLU A 56 32.106 -12.670 -17.370 1.00 0.00 C ATOM 330 C GLU A 56 33.407 -11.862 -17.424 1.00 0.00 C ATOM 331 O GLU A 56 34.494 -12.435 -17.416 1.00 0.00 O ATOM 332 CB GLU A 56 31.500 -12.813 -18.771 1.00 0.00 C ATOM 333 CG GLU A 56 30.411 -13.897 -18.763 1.00 0.00 C ATOM 334 CD GLU A 56 29.428 -13.702 -19.916 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.857 -13.133 -20.944 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.262 -14.127 -19.746 1.00 0.00 O ATOM 0 H GLU A 56 30.260 -11.779 -16.957 1.00 0.00 H new ATOM 0 HA GLU A 56 32.338 -13.660 -16.977 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.076 -11.862 -19.092 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.278 -13.073 -19.488 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.873 -14.881 -18.839 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.874 -13.869 -17.815 1.00 0.00 H new ATOM 343 N GLN A 57 33.288 -10.530 -17.481 1.00 0.00 N ATOM 344 CA GLN A 57 34.443 -9.647 -17.549 1.00 0.00 C ATOM 345 C GLN A 57 35.150 -9.585 -16.194 1.00 0.00 C ATOM 346 O GLN A 57 36.349 -9.842 -16.109 1.00 0.00 O ATOM 347 CB GLN A 57 33.982 -8.249 -17.973 1.00 0.00 C ATOM 348 CG GLN A 57 33.594 -8.254 -19.456 1.00 0.00 C ATOM 349 CD GLN A 57 32.819 -6.990 -19.820 1.00 0.00 C ATOM 350 OE1 GLN A 57 32.956 -5.961 -19.164 1.00 0.00 O ATOM 351 NE2 GLN A 57 32.002 -7.070 -20.870 1.00 0.00 N ATOM 0 H GLN A 57 32.392 -10.043 -17.481 1.00 0.00 H new ATOM 0 HA GLN A 57 35.150 -10.034 -18.282 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.131 -7.938 -17.367 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.779 -7.526 -17.799 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.491 -8.325 -20.071 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.988 -9.133 -19.675 1.00 0.00 H new ATOM 0 HE21 GLN A 57 31.919 -7.946 -21.386 1.00 0.00 H new ATOM 0 HE22 GLN A 57 31.459 -6.255 -21.157 1.00 0.00 H new ATOM 360 N ASN A 58 34.406 -9.228 -15.140 1.00 0.00 N ATOM 361 CA ASN A 58 34.969 -9.083 -13.804 1.00 0.00 C ATOM 362 C ASN A 58 34.982 -10.434 -13.086 1.00 0.00 C ATOM 363 O ASN A 58 36.001 -11.120 -13.077 1.00 0.00 O ATOM 364 CB ASN A 58 34.152 -8.047 -13.016 1.00 0.00 C ATOM 365 CG ASN A 58 34.229 -6.672 -13.673 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.120 -5.885 -13.368 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.288 -6.385 -14.574 1.00 0.00 N ATOM 0 H ASN A 58 33.406 -9.034 -15.194 1.00 0.00 H new ATOM 0 HA ASN A 58 35.999 -8.734 -13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.112 -8.368 -12.957 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.525 -7.986 -11.994 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.290 -5.479 -15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.567 -7.072 -14.795 1.00 0.00 H new ATOM 374 N GLY A 59 33.850 -10.809 -12.481 1.00 0.00 N ATOM 375 CA GLY A 59 33.736 -12.059 -11.752 1.00 0.00 C ATOM 376 C GLY A 59 32.578 -11.974 -10.764 1.00 0.00 C ATOM 377 O GLY A 59 31.851 -10.982 -10.742 1.00 0.00 O ATOM 0 H GLY A 59 32.996 -10.252 -12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.574 -12.883 -12.447 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.665 -12.268 -11.221 1.00 0.00 H new ATOM 381 N THR A 60 32.412 -13.018 -9.943 1.00 0.00 N ATOM 382 CA THR A 60 31.349 -13.065 -8.945 1.00 0.00 C ATOM 383 C THR A 60 31.877 -12.587 -7.585 1.00 0.00 C ATOM 384 O THR A 60 31.240 -12.822 -6.559 1.00 0.00 O ATOM 385 CB THR A 60 30.824 -14.502 -8.847 1.00 0.00 C ATOM 386 OG1 THR A 60 31.900 -15.382 -8.590 1.00 0.00 O ATOM 387 CG2 THR A 60 30.150 -14.900 -10.162 1.00 0.00 C ATOM 0 H THR A 60 33.008 -13.845 -9.955 1.00 0.00 H new ATOM 0 HA THR A 60 30.535 -12.403 -9.241 1.00 0.00 H new ATOM 0 HB THR A 60 30.098 -14.562 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.563 -16.300 -8.526 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.779 -15.922 -10.086 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.317 -14.226 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.873 -14.836 -10.975 1.00 0.00 H new ATOM 395 N ASP A 61 33.042 -11.919 -7.581 1.00 0.00 N ATOM 396 CA ASP A 61 33.648 -11.422 -6.356 1.00 0.00 C ATOM 397 C ASP A 61 32.961 -10.121 -5.938 1.00 0.00 C ATOM 398 O ASP A 61 32.108 -10.131 -5.050 1.00 0.00 O ATOM 399 CB ASP A 61 35.151 -11.218 -6.585 1.00 0.00 C ATOM 400 CG ASP A 61 35.819 -10.631 -5.347 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.691 -11.266 -4.278 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.445 -9.561 -5.494 1.00 0.00 O ATOM 0 H ASP A 61 33.579 -11.715 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 61 33.520 -12.143 -5.549 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.617 -12.171 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.306 -10.554 -7.435 1.00 0.00 H new ATOM 407 N ASP A 62 33.324 -9.002 -6.581 1.00 0.00 N ATOM 408 CA ASP A 62 32.714 -7.715 -6.282 1.00 0.00 C ATOM 409 C ASP A 62 31.274 -7.690 -6.761 1.00 0.00 C ATOM 410 O ASP A 62 30.886 -8.464 -7.637 1.00 0.00 O ATOM 411 CB ASP A 62 33.506 -6.573 -6.938 1.00 0.00 C ATOM 412 CG ASP A 62 33.980 -5.573 -5.892 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.090 -4.951 -5.266 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.212 -5.445 -5.739 1.00 0.00 O ATOM 0 H ASP A 62 34.037 -8.970 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 62 32.730 -7.573 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.364 -6.980 -7.473 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.881 -6.067 -7.674 1.00 0.00 H new ATOM 419 N TRP A 63 30.489 -6.786 -6.179 1.00 0.00 N ATOM 420 CA TRP A 63 29.091 -6.618 -6.537 1.00 0.00 C ATOM 421 C TRP A 63 28.750 -5.133 -6.654 1.00 0.00 C ATOM 422 O TRP A 63 27.795 -4.779 -7.336 1.00 0.00 O ATOM 423 CB TRP A 63 28.221 -7.333 -5.504 1.00 0.00 C ATOM 424 CG TRP A 63 28.309 -8.822 -5.606 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.810 -9.655 -4.679 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.925 -9.673 -6.723 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.781 -10.956 -5.121 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.241 -11.028 -6.393 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.347 -9.441 -7.992 1.00 0.00 C ATOM 430 CZ2 TRP A 63 28.002 -12.087 -7.273 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.102 -10.502 -8.879 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.432 -11.822 -8.524 1.00 0.00 C ATOM 0 H TRP A 63 30.808 -6.152 -5.447 1.00 0.00 H new ATOM 0 HA TRP A 63 28.895 -7.065 -7.512 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.523 -7.023 -4.504 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.183 -7.025 -5.633 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.185 -9.344 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.112 -11.758 -4.585 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.090 -8.433 -8.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.254 -13.099 -6.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.656 -10.302 -9.842 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.246 -12.630 -9.216 1.00 0.00 H new ATOM 443 N LYS A 64 29.539 -4.262 -6.007 1.00 0.00 N ATOM 444 CA LYS A 64 29.331 -2.828 -6.100 1.00 0.00 C ATOM 445 C LYS A 64 29.746 -2.357 -7.491 1.00 0.00 C ATOM 446 O LYS A 64 29.054 -1.549 -8.106 1.00 0.00 O ATOM 447 CB LYS A 64 30.139 -2.116 -5.006 1.00 0.00 C ATOM 448 CG LYS A 64 29.182 -1.346 -4.094 1.00 0.00 C ATOM 449 CD LYS A 64 29.930 -0.847 -2.854 1.00 0.00 C ATOM 450 CE LYS A 64 28.926 -0.329 -1.819 1.00 0.00 C ATOM 451 NZ LYS A 64 28.167 -1.437 -1.204 1.00 0.00 N ATOM 0 H LYS A 64 30.324 -4.536 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 64 28.279 -2.587 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.707 -2.843 -4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.860 -1.433 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.752 -0.502 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.354 -1.989 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 64 30.524 -1.655 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.624 -0.053 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 64 29.454 0.227 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.235 0.367 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 27.583 -1.068 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 27.554 -1.877 -1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.829 -2.147 -0.832 1.00 0.00 H new ATOM 465 N VAL A 65 30.877 -2.878 -7.991 1.00 0.00 N ATOM 466 CA VAL A 65 31.365 -2.534 -9.318 1.00 0.00 C ATOM 467 C VAL A 65 30.289 -2.871 -10.349 1.00 0.00 C ATOM 468 O VAL A 65 30.044 -2.103 -11.274 1.00 0.00 O ATOM 469 CB VAL A 65 32.655 -3.319 -9.610 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.197 -2.931 -10.990 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.710 -3.005 -8.546 1.00 0.00 C ATOM 0 H VAL A 65 31.466 -3.541 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 65 31.586 -1.468 -9.370 1.00 0.00 H new ATOM 0 HB VAL A 65 32.430 -4.385 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.111 -3.490 -11.192 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.453 -3.164 -11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.413 -1.863 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.620 -3.565 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.930 -1.937 -8.555 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.332 -3.289 -7.564 1.00 0.00 H new ATOM 481 N ILE A 66 29.654 -4.031 -10.176 1.00 0.00 N ATOM 482 CA ILE A 66 28.619 -4.500 -11.078 1.00 0.00 C ATOM 483 C ILE A 66 27.356 -3.649 -10.915 1.00 0.00 C ATOM 484 O ILE A 66 26.774 -3.209 -11.906 1.00 0.00 O ATOM 485 CB ILE A 66 28.349 -5.984 -10.775 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.630 -6.792 -11.054 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.205 -6.499 -11.652 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.451 -8.248 -10.633 1.00 0.00 C ATOM 0 H ILE A 66 29.848 -4.668 -9.403 1.00 0.00 H new ATOM 0 HA ILE A 66 28.940 -4.404 -12.115 1.00 0.00 H new ATOM 0 HB ILE A 66 28.063 -6.098 -9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.873 -6.742 -12.115 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.468 -6.352 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.021 -7.550 -11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.303 -5.922 -11.449 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.475 -6.392 -12.703 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.367 -8.801 -10.839 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.231 -8.294 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.627 -8.690 -11.193 1.00 0.00 H new ATOM 500 N ALA A 67 26.938 -3.418 -9.661 1.00 0.00 N ATOM 501 CA ALA A 67 25.743 -2.636 -9.363 1.00 0.00 C ATOM 502 C ALA A 67 25.839 -1.238 -9.979 1.00 0.00 C ATOM 503 O ALA A 67 24.830 -0.686 -10.409 1.00 0.00 O ATOM 504 CB ALA A 67 25.565 -2.542 -7.847 1.00 0.00 C ATOM 0 H ALA A 67 27.421 -3.769 -8.834 1.00 0.00 H new ATOM 0 HA ALA A 67 24.876 -3.133 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.673 -1.958 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.458 -3.544 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.437 -2.057 -7.408 1.00 0.00 H new ATOM 510 N ASN A 68 27.049 -0.663 -10.026 1.00 0.00 N ATOM 511 CA ASN A 68 27.248 0.664 -10.602 1.00 0.00 C ATOM 512 C ASN A 68 26.753 0.693 -12.051 1.00 0.00 C ATOM 513 O ASN A 68 26.193 1.695 -12.492 1.00 0.00 O ATOM 514 CB ASN A 68 28.733 1.043 -10.540 1.00 0.00 C ATOM 515 CG ASN A 68 29.200 1.260 -9.101 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.390 1.464 -8.200 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.516 1.219 -8.889 1.00 0.00 N ATOM 0 H ASN A 68 27.900 -1.099 -9.671 1.00 0.00 H new ATOM 0 HA ASN A 68 26.674 1.389 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.329 0.256 -11.002 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.901 1.951 -11.118 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.886 1.360 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.153 1.047 -9.667 1.00 0.00 H new ATOM 524 N TYR A 69 26.960 -0.408 -12.790 1.00 0.00 N ATOM 525 CA TYR A 69 26.541 -0.500 -14.186 1.00 0.00 C ATOM 526 C TYR A 69 25.151 -1.143 -14.296 1.00 0.00 C ATOM 527 O TYR A 69 24.689 -1.423 -15.405 1.00 0.00 O ATOM 528 CB TYR A 69 27.576 -1.317 -14.965 1.00 0.00 C ATOM 529 CG TYR A 69 28.968 -0.721 -14.918 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.219 0.529 -15.513 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.012 -1.416 -14.281 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.509 1.082 -15.469 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.302 -0.861 -14.238 1.00 0.00 C ATOM 534 CZ TYR A 69 31.551 0.387 -14.831 1.00 0.00 C ATOM 535 OH TYR A 69 32.804 0.924 -14.788 1.00 0.00 O ATOM 0 H TYR A 69 27.418 -1.248 -12.436 1.00 0.00 H new ATOM 0 HA TYR A 69 26.476 0.502 -14.609 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.608 -2.329 -14.562 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.258 -1.398 -16.004 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.419 1.063 -16.004 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.822 -2.376 -13.825 1.00 0.00 H new ATOM 0 HE1 TYR A 69 30.701 2.042 -15.926 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.103 -1.395 -13.748 1.00 0.00 H new ATOM 0 HH TYR A 69 33.405 0.315 -14.309 1.00 0.00 H new ATOM 545 N LEU A 70 24.489 -1.374 -13.152 1.00 0.00 N ATOM 546 CA LEU A 70 23.163 -1.978 -13.112 1.00 0.00 C ATOM 547 C LEU A 70 22.299 -1.234 -12.086 1.00 0.00 C ATOM 548 O LEU A 70 22.154 -1.693 -10.954 1.00 0.00 O ATOM 549 CB LEU A 70 23.295 -3.463 -12.736 1.00 0.00 C ATOM 550 CG LEU A 70 23.393 -4.326 -13.999 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.086 -5.643 -13.662 1.00 0.00 C ATOM 552 CD2 LEU A 70 21.987 -4.619 -14.529 1.00 0.00 C ATOM 0 H LEU A 70 24.865 -1.144 -12.232 1.00 0.00 H new ATOM 0 HA LEU A 70 22.686 -1.905 -14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.180 -3.611 -12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.435 -3.772 -12.142 1.00 0.00 H new ATOM 0 HG LEU A 70 23.966 -3.793 -14.757 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.156 -6.257 -14.560 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.087 -5.440 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.510 -6.173 -12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.057 -5.233 -15.427 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.415 -5.152 -13.769 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.486 -3.681 -14.769 1.00 0.00 H new ATOM 564 N PRO A 71 21.720 -0.079 -12.475 1.00 0.00 N ATOM 565 CA PRO A 71 20.882 0.706 -11.591 1.00 0.00 C ATOM 566 C PRO A 71 19.710 -0.131 -11.080 1.00 0.00 C ATOM 567 O PRO A 71 19.318 -1.105 -11.723 1.00 0.00 O ATOM 568 CB PRO A 71 20.403 1.903 -12.419 1.00 0.00 C ATOM 569 CG PRO A 71 21.102 1.811 -13.781 1.00 0.00 C ATOM 570 CD PRO A 71 21.872 0.490 -13.798 1.00 0.00 C ATOM 0 HA PRO A 71 21.425 1.040 -10.707 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.320 1.881 -12.539 1.00 0.00 H new ATOM 0 HB3 PRO A 71 20.650 2.841 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.374 1.844 -14.591 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.778 2.654 -13.926 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.476 -0.182 -14.559 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.924 0.655 -14.033 1.00 0.00 H new ATOM 578 N ASN A 72 19.158 0.256 -9.915 1.00 0.00 N ATOM 579 CA ASN A 72 18.036 -0.447 -9.279 1.00 0.00 C ATOM 580 C ASN A 72 18.510 -1.756 -8.633 1.00 0.00 C ATOM 581 O ASN A 72 18.163 -2.036 -7.486 1.00 0.00 O ATOM 582 CB ASN A 72 16.899 -0.706 -10.289 1.00 0.00 C ATOM 583 CG ASN A 72 15.600 -0.061 -9.821 1.00 0.00 C ATOM 584 OD1 ASN A 72 14.724 -0.739 -9.291 1.00 0.00 O ATOM 585 ND2 ASN A 72 15.477 1.251 -10.017 1.00 0.00 N ATOM 0 H ASN A 72 19.481 1.068 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 72 17.639 0.194 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.176 -0.308 -11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.753 -1.779 -10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 72 14.628 1.733 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.232 1.773 -10.462 1.00 0.00 H new ATOM 592 N ARG A 73 19.296 -2.556 -9.361 1.00 0.00 N ATOM 593 CA ARG A 73 19.796 -3.820 -8.849 1.00 0.00 C ATOM 594 C ARG A 73 20.992 -3.560 -7.938 1.00 0.00 C ATOM 595 O ARG A 73 22.119 -3.422 -8.408 1.00 0.00 O ATOM 596 CB ARG A 73 20.194 -4.738 -10.016 1.00 0.00 C ATOM 597 CG ARG A 73 19.075 -4.810 -11.066 1.00 0.00 C ATOM 598 CD ARG A 73 17.807 -5.431 -10.470 1.00 0.00 C ATOM 599 NE ARG A 73 16.762 -5.501 -11.494 1.00 0.00 N ATOM 600 CZ ARG A 73 15.711 -6.333 -11.440 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.492 -7.096 -10.360 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.879 -6.400 -12.479 1.00 0.00 N ATOM 0 H ARG A 73 19.597 -2.342 -10.312 1.00 0.00 H new ATOM 0 HA ARG A 73 19.015 -4.316 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.109 -4.368 -10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.409 -5.738 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.855 -3.809 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.408 -5.401 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.024 -6.429 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.462 -4.836 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 73 16.838 -4.878 -12.298 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.129 -7.049 -9.565 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.689 -7.724 -10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.045 -5.823 -13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.076 -7.029 -12.450 1.00 0.00 H new ATOM 616 N THR A 74 20.739 -3.497 -6.629 1.00 0.00 N ATOM 617 CA THR A 74 21.789 -3.275 -5.649 1.00 0.00 C ATOM 618 C THR A 74 22.693 -4.513 -5.565 1.00 0.00 C ATOM 619 O THR A 74 22.456 -5.512 -6.248 1.00 0.00 O ATOM 620 CB THR A 74 21.148 -2.944 -4.289 1.00 0.00 C ATOM 621 OG1 THR A 74 22.154 -2.598 -3.360 1.00 0.00 O ATOM 622 CG2 THR A 74 20.360 -4.149 -3.760 1.00 0.00 C ATOM 0 H THR A 74 19.807 -3.598 -6.227 1.00 0.00 H new ATOM 0 HA THR A 74 22.412 -2.432 -5.948 1.00 0.00 H new ATOM 0 HB THR A 74 20.465 -2.105 -4.421 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.743 -2.386 -2.496 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.913 -3.898 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.573 -4.409 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.032 -4.998 -3.637 1.00 0.00 H new ATOM 630 N ASP A 75 23.731 -4.439 -4.725 1.00 0.00 N ATOM 631 CA ASP A 75 24.685 -5.531 -4.552 1.00 0.00 C ATOM 632 C ASP A 75 23.948 -6.836 -4.273 1.00 0.00 C ATOM 633 O ASP A 75 24.243 -7.854 -4.885 1.00 0.00 O ATOM 634 CB ASP A 75 25.633 -5.206 -3.385 1.00 0.00 C ATOM 635 CG ASP A 75 26.265 -3.824 -3.528 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.322 -3.334 -4.672 1.00 0.00 O ATOM 637 OD2 ASP A 75 26.681 -3.281 -2.480 1.00 0.00 O ATOM 0 H ASP A 75 23.930 -3.621 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 75 25.264 -5.646 -5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.082 -5.257 -2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.418 -5.960 -3.335 1.00 0.00 H new ATOM 642 N VAL A 76 22.990 -6.797 -3.340 1.00 0.00 N ATOM 643 CA VAL A 76 22.222 -7.976 -2.961 1.00 0.00 C ATOM 644 C VAL A 76 21.494 -8.558 -4.177 1.00 0.00 C ATOM 645 O VAL A 76 21.463 -9.771 -4.346 1.00 0.00 O ATOM 646 CB VAL A 76 21.222 -7.602 -1.853 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.393 -8.831 -1.465 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.980 -7.096 -0.621 1.00 0.00 C ATOM 0 H VAL A 76 22.731 -5.951 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 76 22.901 -8.740 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 76 20.560 -6.818 -2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.687 -8.560 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.847 -9.191 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.055 -9.617 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.268 -6.832 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.646 -7.878 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.566 -6.217 -0.890 1.00 0.00 H new ATOM 658 N GLN A 77 20.906 -7.696 -5.020 1.00 0.00 N ATOM 659 CA GLN A 77 20.168 -8.148 -6.192 1.00 0.00 C ATOM 660 C GLN A 77 21.113 -8.845 -7.164 1.00 0.00 C ATOM 661 O GLN A 77 20.869 -9.985 -7.556 1.00 0.00 O ATOM 662 CB GLN A 77 19.488 -6.950 -6.869 1.00 0.00 C ATOM 663 CG GLN A 77 18.066 -6.776 -6.330 1.00 0.00 C ATOM 664 CD GLN A 77 17.128 -7.826 -6.920 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.945 -7.886 -8.135 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.534 -8.653 -6.062 1.00 0.00 N ATOM 0 H GLN A 77 20.932 -6.683 -4.905 1.00 0.00 H new ATOM 0 HA GLN A 77 19.401 -8.859 -5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.067 -6.044 -6.688 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.460 -7.100 -7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.072 -6.858 -5.243 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.700 -5.778 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.715 -8.567 -5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.898 -9.373 -6.405 1.00 0.00 H new ATOM 675 N CYS A 78 22.191 -8.158 -7.553 1.00 0.00 N ATOM 676 CA CYS A 78 23.162 -8.710 -8.488 1.00 0.00 C ATOM 677 C CYS A 78 23.743 -10.008 -7.928 1.00 0.00 C ATOM 678 O CYS A 78 23.929 -10.975 -8.665 1.00 0.00 O ATOM 679 CB CYS A 78 24.276 -7.689 -8.741 1.00 0.00 C ATOM 680 SG CYS A 78 23.552 -6.179 -9.429 1.00 0.00 S ATOM 0 H CYS A 78 22.409 -7.215 -7.230 1.00 0.00 H new ATOM 0 HA CYS A 78 22.668 -8.930 -9.434 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.799 -7.465 -7.811 1.00 0.00 H new ATOM 0 HB3 CYS A 78 25.013 -8.100 -9.430 1.00 0.00 H new ATOM 0 HG CYS A 78 23.027 -5.474 -8.471 1.00 0.00 H new ATOM 686 N GLN A 79 24.025 -10.022 -6.621 1.00 0.00 N ATOM 687 CA GLN A 79 24.587 -11.185 -5.959 1.00 0.00 C ATOM 688 C GLN A 79 23.622 -12.364 -6.058 1.00 0.00 C ATOM 689 O GLN A 79 23.989 -13.410 -6.573 1.00 0.00 O ATOM 690 CB GLN A 79 24.890 -10.839 -4.497 1.00 0.00 C ATOM 691 CG GLN A 79 25.600 -12.011 -3.818 1.00 0.00 C ATOM 692 CD GLN A 79 25.900 -11.693 -2.358 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.300 -12.272 -1.458 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.832 -10.770 -2.125 1.00 0.00 N ATOM 0 H GLN A 79 23.868 -9.227 -6.002 1.00 0.00 H new ATOM 0 HA GLN A 79 25.517 -11.473 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.515 -9.947 -4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 79 23.964 -10.609 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.977 -12.904 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.528 -12.233 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.305 -10.315 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.073 -10.519 -1.166 1.00 0.00 H new ATOM 703 N HIS A 80 22.390 -12.194 -5.563 1.00 0.00 N ATOM 704 CA HIS A 80 21.391 -13.260 -5.585 1.00 0.00 C ATOM 705 C HIS A 80 21.120 -13.724 -7.015 1.00 0.00 C ATOM 706 O HIS A 80 20.830 -14.896 -7.234 1.00 0.00 O ATOM 707 CB HIS A 80 20.086 -12.764 -4.940 1.00 0.00 C ATOM 708 CG HIS A 80 19.874 -13.287 -3.540 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.641 -13.220 -2.901 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.707 -13.897 -2.632 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.800 -13.779 -1.685 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.039 -14.217 -1.458 1.00 0.00 N ATOM 0 H HIS A 80 22.064 -11.324 -5.142 1.00 0.00 H new ATOM 0 HA HIS A 80 21.778 -14.106 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 80 20.092 -11.674 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 80 19.244 -13.064 -5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.752 -14.102 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.001 -13.864 -0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.406 -14.676 -0.624 1.00 0.00 H new ATOM 720 N ARG A 81 21.200 -12.814 -7.988 1.00 0.00 N ATOM 721 CA ARG A 81 20.916 -13.161 -9.370 1.00 0.00 C ATOM 722 C ARG A 81 21.947 -14.164 -9.912 1.00 0.00 C ATOM 723 O ARG A 81 21.694 -14.788 -10.937 1.00 0.00 O ATOM 724 CB ARG A 81 20.872 -11.881 -10.223 1.00 0.00 C ATOM 725 CG ARG A 81 20.399 -12.187 -11.660 1.00 0.00 C ATOM 726 CD ARG A 81 19.061 -12.939 -11.638 1.00 0.00 C ATOM 727 NE ARG A 81 18.450 -12.982 -12.972 1.00 0.00 N ATOM 728 CZ ARG A 81 17.366 -13.724 -13.255 1.00 0.00 C ATOM 729 NH1 ARG A 81 16.762 -14.433 -12.290 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.889 -13.755 -14.503 1.00 0.00 N ATOM 0 H ARG A 81 21.458 -11.838 -7.840 1.00 0.00 H new ATOM 0 HA ARG A 81 19.942 -13.647 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 81 20.201 -11.156 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.862 -11.425 -10.252 1.00 0.00 H new ATOM 0 HG2 ARG A 81 20.291 -11.258 -12.219 1.00 0.00 H new ATOM 0 HG3 ARG A 81 21.150 -12.785 -12.177 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.218 -13.955 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.380 -12.453 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 81 18.867 -12.424 -13.717 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.125 -14.410 -11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.939 -14.995 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.348 -13.216 -15.238 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.066 -14.317 -14.721 1.00 0.00 H new ATOM 744 N TRP A 82 23.101 -14.333 -9.233 1.00 0.00 N ATOM 745 CA TRP A 82 24.114 -15.284 -9.688 1.00 0.00 C ATOM 746 C TRP A 82 24.357 -16.390 -8.654 1.00 0.00 C ATOM 747 O TRP A 82 24.507 -17.553 -9.018 1.00 0.00 O ATOM 748 CB TRP A 82 25.415 -14.569 -10.022 1.00 0.00 C ATOM 749 CG TRP A 82 26.203 -15.301 -11.055 1.00 0.00 C ATOM 750 CD1 TRP A 82 27.058 -16.307 -10.816 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.171 -15.157 -12.505 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.559 -16.813 -11.988 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.043 -16.137 -13.074 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.483 -14.314 -13.408 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.220 -16.274 -14.451 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.664 -14.446 -14.801 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.530 -15.428 -15.318 1.00 0.00 C ATOM 0 H TRP A 82 23.344 -13.827 -8.381 1.00 0.00 H new ATOM 0 HA TRP A 82 23.735 -15.756 -10.594 1.00 0.00 H new ATOM 0 HB2 TRP A 82 25.195 -13.563 -10.379 1.00 0.00 H new ATOM 0 HB3 TRP A 82 26.013 -14.462 -9.117 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.317 -16.670 -9.832 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.223 -17.585 -12.048 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.811 -13.560 -13.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.886 -17.029 -14.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.135 -13.789 -15.475 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.660 -15.526 -16.386 1.00 0.00 H new ATOM 768 N GLN A 83 24.400 -16.036 -7.367 1.00 0.00 N ATOM 769 CA GLN A 83 24.640 -17.006 -6.301 1.00 0.00 C ATOM 770 C GLN A 83 23.339 -17.739 -5.949 1.00 0.00 C ATOM 771 O GLN A 83 23.074 -18.013 -4.781 1.00 0.00 O ATOM 772 CB GLN A 83 25.206 -16.279 -5.075 1.00 0.00 C ATOM 773 CG GLN A 83 26.530 -15.594 -5.438 1.00 0.00 C ATOM 774 CD GLN A 83 27.191 -14.981 -4.205 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.625 -15.002 -3.116 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.394 -14.433 -4.380 1.00 0.00 N ATOM 0 H GLN A 83 24.271 -15.079 -7.039 1.00 0.00 H new ATOM 0 HA GLN A 83 25.363 -17.749 -6.638 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.490 -15.539 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.364 -16.988 -4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 83 27.205 -16.319 -5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.349 -14.817 -6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.827 -14.438 -5.303 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.881 -14.009 -3.590 1.00 0.00 H new ATOM 785 N LYS A 84 22.531 -18.051 -6.970 1.00 0.00 N ATOM 786 CA LYS A 84 21.262 -18.745 -6.794 1.00 0.00 C ATOM 787 C LYS A 84 20.840 -19.352 -8.135 1.00 0.00 C ATOM 788 O LYS A 84 20.368 -20.485 -8.189 1.00 0.00 O ATOM 789 CB LYS A 84 20.206 -17.753 -6.277 1.00 0.00 C ATOM 790 CG LYS A 84 19.365 -18.392 -5.165 1.00 0.00 C ATOM 791 CD LYS A 84 20.184 -18.465 -3.867 1.00 0.00 C ATOM 792 CE LYS A 84 19.249 -18.519 -2.656 1.00 0.00 C ATOM 793 NZ LYS A 84 18.725 -17.178 -2.329 1.00 0.00 N ATOM 0 H LYS A 84 22.745 -17.826 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 84 21.363 -19.547 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.696 -16.855 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.559 -17.442 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.459 -17.809 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.051 -19.392 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.824 -19.347 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 84 20.839 -17.597 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.420 -19.196 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.785 -18.923 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.163 -17.228 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.518 -16.519 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.125 -16.840 -3.108 1.00 0.00 H new ATOM 807 N VAL A 85 21.022 -18.575 -9.215 1.00 0.00 N ATOM 808 CA VAL A 85 20.693 -18.994 -10.572 1.00 0.00 C ATOM 809 C VAL A 85 21.802 -18.469 -11.509 1.00 0.00 C ATOM 810 O VAL A 85 22.655 -17.722 -11.062 1.00 0.00 O ATOM 811 CB VAL A 85 19.282 -18.462 -10.917 1.00 0.00 C ATOM 812 CG1 VAL A 85 19.236 -16.940 -10.764 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.884 -18.852 -12.343 1.00 0.00 C ATOM 0 H VAL A 85 21.405 -17.631 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 85 20.657 -20.078 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 85 18.573 -18.913 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.237 -16.580 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.476 -16.670 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 85 19.962 -16.485 -11.437 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.888 -18.466 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 85 19.599 -18.430 -13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.881 -19.938 -12.436 1.00 0.00 H new ATOM 823 N LEU A 86 21.803 -18.878 -12.794 1.00 0.00 N ATOM 824 CA LEU A 86 22.857 -18.496 -13.757 1.00 0.00 C ATOM 825 C LEU A 86 24.211 -18.969 -13.241 1.00 0.00 C ATOM 826 O LEU A 86 24.978 -18.186 -12.692 1.00 0.00 O ATOM 827 CB LEU A 86 22.922 -16.968 -13.988 1.00 0.00 C ATOM 828 CG LEU A 86 21.828 -16.426 -14.939 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.052 -17.542 -15.649 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.867 -15.557 -14.138 1.00 0.00 C ATOM 0 H LEU A 86 21.080 -19.477 -13.191 1.00 0.00 H new ATOM 0 HA LEU A 86 22.612 -18.970 -14.707 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.836 -16.462 -13.026 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.901 -16.714 -14.395 1.00 0.00 H new ATOM 0 HG LEU A 86 22.322 -15.843 -15.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.298 -17.102 -16.302 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.741 -18.143 -16.242 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.564 -18.175 -14.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.091 -15.169 -14.798 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.408 -16.154 -13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.413 -14.726 -13.692 1.00 0.00 H new ATOM 842 N ASN A 87 24.507 -20.248 -13.429 1.00 0.00 N ATOM 843 CA ASN A 87 25.783 -20.806 -13.017 1.00 0.00 C ATOM 844 C ASN A 87 26.042 -22.113 -13.774 1.00 0.00 C ATOM 845 O ASN A 87 25.784 -23.195 -13.246 1.00 0.00 O ATOM 846 CB ASN A 87 25.779 -21.034 -11.499 1.00 0.00 C ATOM 847 CG ASN A 87 27.177 -21.390 -11.001 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.877 -20.543 -10.454 1.00 0.00 O ATOM 849 ND2 ASN A 87 27.582 -22.644 -11.194 1.00 0.00 N ATOM 0 H ASN A 87 23.876 -20.919 -13.866 1.00 0.00 H new ATOM 0 HA ASN A 87 26.587 -20.109 -13.255 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.425 -20.136 -10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.084 -21.835 -11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.509 -22.934 -10.882 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.965 -23.314 -11.654 1.00 0.00 H new ATOM 856 N PRO A 88 26.551 -22.020 -15.018 1.00 0.00 N ATOM 857 CA PRO A 88 26.847 -23.184 -15.826 1.00 0.00 C ATOM 858 C PRO A 88 27.934 -24.031 -15.164 1.00 0.00 C ATOM 859 O PRO A 88 27.843 -25.258 -15.150 1.00 0.00 O ATOM 860 CB PRO A 88 27.307 -22.647 -17.186 1.00 0.00 C ATOM 861 CG PRO A 88 27.306 -21.115 -17.086 1.00 0.00 C ATOM 862 CD PRO A 88 26.852 -20.761 -15.670 1.00 0.00 C ATOM 0 HA PRO A 88 25.977 -23.831 -15.938 1.00 0.00 H new ATOM 0 HB2 PRO A 88 28.303 -23.017 -17.430 1.00 0.00 H new ATOM 0 HB3 PRO A 88 26.639 -22.982 -17.979 1.00 0.00 H new ATOM 0 HG2 PRO A 88 28.300 -20.715 -17.284 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.634 -20.680 -17.826 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.633 -20.221 -15.134 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.975 -20.114 -15.692 1.00 0.00 H new ATOM 870 N GLU A 89 28.962 -23.367 -14.615 1.00 0.00 N ATOM 871 CA GLU A 89 30.068 -24.048 -13.956 1.00 0.00 C ATOM 872 C GLU A 89 29.629 -24.529 -12.571 1.00 0.00 C ATOM 873 O GLU A 89 30.071 -24.001 -11.552 1.00 0.00 O ATOM 874 CB GLU A 89 31.266 -23.089 -13.850 1.00 0.00 C ATOM 875 CG GLU A 89 31.613 -22.507 -15.228 1.00 0.00 C ATOM 876 CD GLU A 89 31.798 -23.608 -16.266 1.00 0.00 C ATOM 877 OE1 GLU A 89 32.753 -24.395 -16.094 1.00 0.00 O ATOM 878 OE2 GLU A 89 30.979 -23.641 -17.210 1.00 0.00 O ATOM 0 H GLU A 89 29.043 -22.350 -14.619 1.00 0.00 H new ATOM 0 HA GLU A 89 30.368 -24.918 -14.540 1.00 0.00 H new ATOM 0 HB2 GLU A 89 31.033 -22.282 -13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 89 32.128 -23.618 -13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 89 30.820 -21.831 -15.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 32.526 -21.916 -15.156 1.00 0.00 H new HETATM 885 N NH2 A 90 28.755 -25.533 -12.537 1.00 0.00 N TER 888 NH2 A 90