USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=9 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 60 THR OG1 : rot -18:sc= 1.5 USER MOD Set 1.2: A 83 GLN : amide:sc= 0.461 K(o=2,f=0.085) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 45:sc= 0.0412 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0395 USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 2.54 (180deg=1.54) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 1.27 (180deg=-0.0804) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.847 K(o=0.85,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 139:sc= 1.15 (180deg=0.274) USER MOD Single : A 68 ASN : amide:sc= 0.982 K(o=0.98,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 77 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.4) USER MOD Single : A 78 CYS SG : rot 92:sc= 0.596 USER MOD Single : A 79 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.377 X(o=0.38,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 11.002 1.598 -7.373 1.00 0.00 N ATOM 2 CA LEU A 38 9.623 1.097 -7.502 1.00 0.00 C ATOM 3 C LEU A 38 9.644 -0.349 -7.988 1.00 0.00 C ATOM 4 O LEU A 38 10.403 -0.684 -8.896 1.00 0.00 O ATOM 5 CB LEU A 38 8.826 1.986 -8.467 1.00 0.00 C ATOM 6 CG LEU A 38 7.342 1.580 -8.468 1.00 0.00 C ATOM 7 CD1 LEU A 38 6.468 2.837 -8.470 1.00 0.00 C ATOM 8 CD2 LEU A 38 7.029 0.745 -9.714 1.00 0.00 C ATOM 0 HA LEU A 38 9.135 1.129 -6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.924 3.031 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.234 1.898 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 38 7.134 0.988 -7.576 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.417 2.549 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.681 3.430 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.683 3.428 -9.360 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.977 0.462 -9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.241 1.332 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.647 -0.153 -9.715 1.00 0.00 H new ATOM 22 N GLY A 39 8.813 -1.205 -7.379 1.00 0.00 N ATOM 23 CA GLY A 39 8.746 -2.611 -7.745 1.00 0.00 C ATOM 24 C GLY A 39 9.924 -3.372 -7.139 1.00 0.00 C ATOM 25 O GLY A 39 10.898 -2.765 -6.690 1.00 0.00 O ATOM 0 H GLY A 39 8.177 -0.938 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.808 -3.041 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.758 -2.713 -8.830 1.00 0.00 H new ATOM 29 N LYS A 40 9.834 -4.708 -7.128 1.00 0.00 N ATOM 30 CA LYS A 40 10.885 -5.553 -6.575 1.00 0.00 C ATOM 31 C LYS A 40 11.978 -5.774 -7.624 1.00 0.00 C ATOM 32 O LYS A 40 12.298 -6.916 -7.955 1.00 0.00 O ATOM 33 CB LYS A 40 10.278 -6.890 -6.128 1.00 0.00 C ATOM 34 CG LYS A 40 9.300 -6.658 -4.968 1.00 0.00 C ATOM 35 CD LYS A 40 8.547 -7.956 -4.645 1.00 0.00 C ATOM 36 CE LYS A 40 9.515 -9.005 -4.085 1.00 0.00 C ATOM 37 NZ LYS A 40 8.784 -10.180 -3.577 1.00 0.00 N ATOM 0 H LYS A 40 9.036 -5.224 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 40 11.335 -5.066 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.760 -7.361 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.069 -7.573 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.843 -6.315 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.591 -5.873 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.757 -7.756 -3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.065 -8.339 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.212 -9.315 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.108 -8.566 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.461 -10.875 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.137 -9.885 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.238 -10.610 -4.350 1.00 0.00 H new ATOM 51 N THR A 41 12.546 -4.668 -8.139 1.00 0.00 N ATOM 52 CA THR A 41 13.604 -4.707 -9.148 1.00 0.00 C ATOM 53 C THR A 41 13.299 -5.773 -10.208 1.00 0.00 C ATOM 54 O THR A 41 14.034 -6.752 -10.338 1.00 0.00 O ATOM 55 CB THR A 41 14.963 -4.964 -8.468 1.00 0.00 C ATOM 56 OG1 THR A 41 14.914 -6.157 -7.713 1.00 0.00 O ATOM 57 CG2 THR A 41 15.306 -3.795 -7.541 1.00 0.00 C ATOM 0 H THR A 41 12.279 -3.723 -7.862 1.00 0.00 H new ATOM 0 HA THR A 41 13.651 -3.744 -9.656 1.00 0.00 H new ATOM 0 HB THR A 41 15.727 -5.059 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.471 -6.857 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.267 -3.980 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 41 15.361 -2.874 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.534 -3.697 -6.778 1.00 0.00 H new ATOM 65 N ARG A 42 12.208 -5.576 -10.962 1.00 0.00 N ATOM 66 CA ARG A 42 11.794 -6.516 -11.999 1.00 0.00 C ATOM 67 C ARG A 42 12.960 -6.791 -12.951 1.00 0.00 C ATOM 68 O ARG A 42 13.510 -5.866 -13.546 1.00 0.00 O ATOM 69 CB ARG A 42 10.584 -5.926 -12.749 1.00 0.00 C ATOM 70 CG ARG A 42 10.322 -6.677 -14.069 1.00 0.00 C ATOM 71 CD ARG A 42 9.951 -8.140 -13.799 1.00 0.00 C ATOM 72 NE ARG A 42 9.963 -8.918 -15.046 1.00 0.00 N ATOM 73 CZ ARG A 42 8.910 -9.004 -15.881 1.00 0.00 C ATOM 74 NH1 ARG A 42 7.791 -8.306 -15.638 1.00 0.00 N ATOM 75 NH2 ARG A 42 8.983 -9.792 -16.961 1.00 0.00 N ATOM 0 H ARG A 42 11.596 -4.766 -10.867 1.00 0.00 H new ATOM 0 HA ARG A 42 11.502 -7.466 -11.552 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.699 -5.981 -12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.762 -4.871 -12.958 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.517 -6.188 -14.617 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.210 -6.633 -14.700 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.654 -8.573 -13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.963 -8.191 -13.342 1.00 0.00 H new ATOM 0 HE ARG A 42 10.816 -9.420 -15.292 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.733 -7.705 -14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.998 -8.376 -16.275 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.833 -10.324 -17.148 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.188 -9.861 -17.597 1.00 0.00 H new ATOM 89 N TRP A 43 13.332 -8.071 -13.090 1.00 0.00 N ATOM 90 CA TRP A 43 14.421 -8.478 -13.966 1.00 0.00 C ATOM 91 C TRP A 43 13.869 -8.894 -15.329 1.00 0.00 C ATOM 92 O TRP A 43 12.700 -9.269 -15.447 1.00 0.00 O ATOM 93 CB TRP A 43 15.185 -9.633 -13.313 1.00 0.00 C ATOM 94 CG TRP A 43 16.126 -9.207 -12.230 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.842 -9.143 -10.918 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.509 -8.764 -12.348 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.927 -8.694 -10.202 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.997 -8.440 -11.042 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.407 -8.597 -13.425 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.298 -7.976 -10.823 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.718 -8.125 -13.210 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.162 -7.815 -11.912 1.00 0.00 C ATOM 0 H TRP A 43 12.884 -8.844 -12.598 1.00 0.00 H new ATOM 0 HA TRP A 43 15.104 -7.642 -14.119 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.467 -10.341 -12.899 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.748 -10.163 -14.081 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.889 -9.409 -10.484 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.941 -8.566 -9.190 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.085 -8.834 -14.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.633 -7.744 -9.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.387 -8.000 -14.049 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.168 -7.453 -11.756 1.00 0.00 H new ATOM 113 N THR A 44 14.722 -8.825 -16.358 1.00 0.00 N ATOM 114 CA THR A 44 14.348 -9.193 -17.715 1.00 0.00 C ATOM 115 C THR A 44 15.596 -9.662 -18.466 1.00 0.00 C ATOM 116 O THR A 44 16.713 -9.457 -17.993 1.00 0.00 O ATOM 117 CB THR A 44 13.683 -7.994 -18.412 1.00 0.00 C ATOM 118 OG1 THR A 44 13.243 -8.380 -19.698 1.00 0.00 O ATOM 119 CG2 THR A 44 14.674 -6.834 -18.540 1.00 0.00 C ATOM 0 H THR A 44 15.688 -8.512 -16.266 1.00 0.00 H new ATOM 0 HA THR A 44 13.627 -10.010 -17.702 1.00 0.00 H new ATOM 0 HB THR A 44 12.833 -7.667 -17.814 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.818 -7.616 -20.141 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.188 -5.993 -19.035 1.00 0.00 H new ATOM 0 HG22 THR A 44 15.006 -6.528 -17.548 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.534 -7.154 -19.128 1.00 0.00 H new ATOM 127 N ARG A 45 15.398 -10.300 -19.631 1.00 0.00 N ATOM 128 CA ARG A 45 16.497 -10.847 -20.423 1.00 0.00 C ATOM 129 C ARG A 45 17.580 -9.795 -20.662 1.00 0.00 C ATOM 130 O ARG A 45 18.761 -10.102 -20.565 1.00 0.00 O ATOM 131 CB ARG A 45 15.954 -11.380 -21.758 1.00 0.00 C ATOM 132 CG ARG A 45 17.011 -12.268 -22.438 1.00 0.00 C ATOM 133 CD ARG A 45 17.811 -11.458 -23.470 1.00 0.00 C ATOM 134 NE ARG A 45 19.056 -12.155 -23.837 1.00 0.00 N ATOM 135 CZ ARG A 45 19.108 -13.177 -24.709 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.993 -13.623 -25.305 1.00 0.00 N ATOM 137 NH2 ARG A 45 20.285 -13.751 -24.978 1.00 0.00 N ATOM 0 H ARG A 45 14.476 -10.447 -20.043 1.00 0.00 H new ATOM 0 HA ARG A 45 16.952 -11.668 -19.869 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.042 -11.952 -21.587 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.691 -10.548 -22.411 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.686 -12.680 -21.688 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.525 -13.112 -22.927 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.204 -11.297 -24.361 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.047 -10.475 -23.063 1.00 0.00 H new ATOM 0 HE ARG A 45 19.927 -11.845 -23.406 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.095 -13.186 -25.098 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.043 -14.399 -25.965 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.133 -13.413 -24.523 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.335 -14.527 -25.638 1.00 0.00 H new ATOM 151 N GLU A 46 17.180 -8.557 -20.980 1.00 0.00 N ATOM 152 CA GLU A 46 18.130 -7.484 -21.239 1.00 0.00 C ATOM 153 C GLU A 46 19.063 -7.309 -20.039 1.00 0.00 C ATOM 154 O GLU A 46 20.285 -7.381 -20.181 1.00 0.00 O ATOM 155 CB GLU A 46 17.364 -6.185 -21.523 1.00 0.00 C ATOM 156 CG GLU A 46 18.331 -5.108 -22.033 1.00 0.00 C ATOM 157 CD GLU A 46 17.944 -3.734 -21.498 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.823 -3.294 -21.824 1.00 0.00 O ATOM 159 OE2 GLU A 46 18.780 -3.150 -20.770 1.00 0.00 O ATOM 0 H GLU A 46 16.202 -8.280 -21.062 1.00 0.00 H new ATOM 0 HA GLU A 46 18.737 -7.735 -22.109 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.585 -6.367 -22.264 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.867 -5.840 -20.616 1.00 0.00 H new ATOM 0 HG2 GLU A 46 19.348 -5.350 -21.724 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.324 -5.094 -23.123 1.00 0.00 H new ATOM 166 N GLU A 47 18.481 -7.075 -18.858 1.00 0.00 N ATOM 167 CA GLU A 47 19.249 -6.865 -17.644 1.00 0.00 C ATOM 168 C GLU A 47 20.095 -8.100 -17.329 1.00 0.00 C ATOM 169 O GLU A 47 21.236 -7.968 -16.901 1.00 0.00 O ATOM 170 CB GLU A 47 18.295 -6.548 -16.490 1.00 0.00 C ATOM 171 CG GLU A 47 19.032 -5.746 -15.412 1.00 0.00 C ATOM 172 CD GLU A 47 18.978 -4.252 -15.712 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.865 -3.789 -16.460 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.047 -3.601 -15.186 1.00 0.00 O ATOM 0 H GLU A 47 17.471 -7.028 -18.726 1.00 0.00 H new ATOM 0 HA GLU A 47 19.927 -6.023 -17.784 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.441 -5.980 -16.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.904 -7.472 -16.065 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.584 -5.942 -14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.070 -6.072 -15.357 1.00 0.00 H new ATOM 181 N ASP A 48 19.538 -9.298 -17.544 1.00 0.00 N ATOM 182 CA ASP A 48 20.256 -10.541 -17.287 1.00 0.00 C ATOM 183 C ASP A 48 21.476 -10.639 -18.203 1.00 0.00 C ATOM 184 O ASP A 48 22.543 -11.057 -17.767 1.00 0.00 O ATOM 185 CB ASP A 48 19.321 -11.736 -17.508 1.00 0.00 C ATOM 186 CG ASP A 48 18.219 -11.782 -16.457 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.520 -11.439 -15.294 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.090 -12.165 -16.830 1.00 0.00 O ATOM 0 H ASP A 48 18.590 -9.427 -17.896 1.00 0.00 H new ATOM 0 HA ASP A 48 20.598 -10.551 -16.252 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.876 -11.673 -18.501 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.896 -12.661 -17.475 1.00 0.00 H new ATOM 193 N GLU A 49 21.315 -10.249 -19.473 1.00 0.00 N ATOM 194 CA GLU A 49 22.402 -10.282 -20.439 1.00 0.00 C ATOM 195 C GLU A 49 23.509 -9.330 -19.987 1.00 0.00 C ATOM 196 O GLU A 49 24.684 -9.694 -19.988 1.00 0.00 O ATOM 197 CB GLU A 49 21.861 -9.881 -21.819 1.00 0.00 C ATOM 198 CG GLU A 49 22.889 -10.207 -22.912 1.00 0.00 C ATOM 199 CD GLU A 49 22.959 -11.708 -23.182 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.874 -12.307 -23.359 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.096 -12.229 -23.210 1.00 0.00 O ATOM 0 H GLU A 49 20.432 -9.905 -19.851 1.00 0.00 H new ATOM 0 HA GLU A 49 22.818 -11.287 -20.507 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.929 -10.409 -22.019 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.633 -8.815 -21.832 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.624 -9.683 -23.830 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.871 -9.844 -22.609 1.00 0.00 H new ATOM 208 N LYS A 50 23.126 -8.108 -19.598 1.00 0.00 N ATOM 209 CA LYS A 50 24.078 -7.107 -19.138 1.00 0.00 C ATOM 210 C LYS A 50 24.797 -7.614 -17.885 1.00 0.00 C ATOM 211 O LYS A 50 26.021 -7.532 -17.798 1.00 0.00 O ATOM 212 CB LYS A 50 23.335 -5.796 -18.856 1.00 0.00 C ATOM 213 CG LYS A 50 22.912 -5.147 -20.183 1.00 0.00 C ATOM 214 CD LYS A 50 21.594 -4.382 -20.009 1.00 0.00 C ATOM 215 CE LYS A 50 21.805 -3.144 -19.135 1.00 0.00 C ATOM 216 NZ LYS A 50 20.512 -2.542 -18.765 1.00 0.00 N ATOM 0 H LYS A 50 22.156 -7.794 -19.595 1.00 0.00 H new ATOM 0 HA LYS A 50 24.828 -6.924 -19.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.458 -5.989 -18.238 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.976 -5.116 -18.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.691 -4.467 -20.527 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.796 -5.914 -20.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.208 -4.085 -20.984 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.846 -5.032 -19.555 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.355 -3.418 -18.235 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.412 -2.414 -19.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.657 -1.549 -18.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.863 -2.588 -19.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.103 -3.064 -17.964 1.00 0.00 H new ATOM 230 N LEU A 51 24.034 -8.142 -16.918 1.00 0.00 N ATOM 231 CA LEU A 51 24.596 -8.665 -15.683 1.00 0.00 C ATOM 232 C LEU A 51 25.599 -9.768 -16.008 1.00 0.00 C ATOM 233 O LEU A 51 26.718 -9.757 -15.505 1.00 0.00 O ATOM 234 CB LEU A 51 23.458 -9.198 -14.796 1.00 0.00 C ATOM 235 CG LEU A 51 24.020 -9.867 -13.529 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.783 -8.842 -12.687 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.867 -10.440 -12.703 1.00 0.00 C ATOM 0 H LEU A 51 23.018 -8.215 -16.977 1.00 0.00 H new ATOM 0 HA LEU A 51 25.118 -7.875 -15.143 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.795 -8.379 -14.517 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.860 -9.916 -15.357 1.00 0.00 H new ATOM 0 HG LEU A 51 24.700 -10.667 -13.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.176 -9.326 -11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.608 -8.433 -13.271 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.109 -8.036 -12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.263 -10.914 -11.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.188 -9.636 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.327 -11.179 -13.295 1.00 0.00 H new ATOM 249 N LYS A 52 25.190 -10.716 -16.855 1.00 0.00 N ATOM 250 CA LYS A 52 26.041 -11.823 -17.253 1.00 0.00 C ATOM 251 C LYS A 52 27.338 -11.295 -17.854 1.00 0.00 C ATOM 252 O LYS A 52 28.412 -11.759 -17.499 1.00 0.00 O ATOM 253 CB LYS A 52 25.289 -12.694 -18.267 1.00 0.00 C ATOM 254 CG LYS A 52 26.129 -13.929 -18.635 1.00 0.00 C ATOM 255 CD LYS A 52 26.819 -13.724 -19.991 1.00 0.00 C ATOM 256 CE LYS A 52 25.800 -13.877 -21.126 1.00 0.00 C ATOM 257 NZ LYS A 52 26.349 -13.380 -22.398 1.00 0.00 N ATOM 0 H LYS A 52 24.262 -10.732 -17.279 1.00 0.00 H new ATOM 0 HA LYS A 52 26.292 -12.427 -16.381 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.332 -13.008 -17.849 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.070 -12.114 -19.164 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.877 -14.111 -17.863 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.491 -14.812 -18.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.274 -12.734 -20.031 1.00 0.00 H new ATOM 0 HD3 LYS A 52 27.623 -14.450 -20.113 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.522 -14.926 -21.231 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.891 -13.329 -20.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.717 -12.652 -22.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.290 -12.969 -22.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.428 -14.167 -23.073 1.00 0.00 H new ATOM 271 N LYS A 53 27.232 -10.326 -18.769 1.00 0.00 N ATOM 272 CA LYS A 53 28.394 -9.757 -19.434 1.00 0.00 C ATOM 273 C LYS A 53 29.347 -9.132 -18.410 1.00 0.00 C ATOM 274 O LYS A 53 30.559 -9.321 -18.494 1.00 0.00 O ATOM 275 CB LYS A 53 27.926 -8.715 -20.456 1.00 0.00 C ATOM 276 CG LYS A 53 29.030 -8.469 -21.490 1.00 0.00 C ATOM 277 CD LYS A 53 28.676 -7.256 -22.361 1.00 0.00 C ATOM 278 CE LYS A 53 27.408 -7.543 -23.175 1.00 0.00 C ATOM 279 NZ LYS A 53 27.165 -6.478 -24.166 1.00 0.00 N ATOM 0 H LYS A 53 26.343 -9.921 -19.063 1.00 0.00 H new ATOM 0 HA LYS A 53 28.939 -10.545 -19.953 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.020 -9.061 -20.953 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.675 -7.783 -19.950 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.981 -8.299 -20.985 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.156 -9.352 -22.116 1.00 0.00 H new ATOM 0 HD2 LYS A 53 28.523 -6.379 -21.732 1.00 0.00 H new ATOM 0 HD3 LYS A 53 29.504 -7.026 -23.032 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.507 -8.502 -23.683 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.552 -7.624 -22.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.302 -6.695 -24.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.048 -5.568 -23.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.973 -6.419 -24.818 1.00 0.00 H new ATOM 293 N LEU A 54 28.804 -8.384 -17.444 1.00 0.00 N ATOM 294 CA LEU A 54 29.619 -7.734 -16.427 1.00 0.00 C ATOM 295 C LEU A 54 30.288 -8.780 -15.533 1.00 0.00 C ATOM 296 O LEU A 54 31.465 -8.647 -15.212 1.00 0.00 O ATOM 297 CB LEU A 54 28.751 -6.783 -15.599 1.00 0.00 C ATOM 298 CG LEU A 54 28.330 -5.572 -16.448 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.318 -4.738 -15.664 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.553 -4.709 -16.784 1.00 0.00 C ATOM 0 H LEU A 54 27.802 -8.217 -17.350 1.00 0.00 H new ATOM 0 HA LEU A 54 30.404 -7.155 -16.913 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.867 -7.308 -15.238 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.303 -6.447 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 54 27.881 -5.924 -17.377 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.015 -3.878 -16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.443 -5.347 -15.436 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.772 -4.394 -14.735 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.242 -3.855 -17.385 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.013 -4.355 -15.861 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.275 -5.303 -17.344 1.00 0.00 H new ATOM 312 N VAL A 55 29.543 -9.818 -15.135 1.00 0.00 N ATOM 313 CA VAL A 55 30.082 -10.883 -14.294 1.00 0.00 C ATOM 314 C VAL A 55 31.157 -11.654 -15.067 1.00 0.00 C ATOM 315 O VAL A 55 32.172 -12.043 -14.499 1.00 0.00 O ATOM 316 CB VAL A 55 28.937 -11.815 -13.857 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.505 -13.093 -13.229 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.059 -11.101 -12.827 1.00 0.00 C ATOM 0 H VAL A 55 28.562 -9.939 -15.385 1.00 0.00 H new ATOM 0 HA VAL A 55 30.542 -10.458 -13.402 1.00 0.00 H new ATOM 0 HB VAL A 55 28.344 -12.076 -14.734 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.686 -13.744 -12.924 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.128 -13.611 -13.958 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.106 -12.834 -12.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.249 -11.762 -12.519 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.661 -10.835 -11.958 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.641 -10.197 -13.270 1.00 0.00 H new ATOM 328 N GLU A 56 30.923 -11.869 -16.363 1.00 0.00 N ATOM 329 CA GLU A 56 31.853 -12.586 -17.221 1.00 0.00 C ATOM 330 C GLU A 56 33.184 -11.832 -17.293 1.00 0.00 C ATOM 331 O GLU A 56 34.249 -12.441 -17.205 1.00 0.00 O ATOM 332 CB GLU A 56 31.218 -12.728 -18.611 1.00 0.00 C ATOM 333 CG GLU A 56 32.047 -13.667 -19.491 1.00 0.00 C ATOM 334 CD GLU A 56 31.410 -13.824 -20.871 1.00 0.00 C ATOM 335 OE1 GLU A 56 30.173 -13.636 -20.957 1.00 0.00 O ATOM 336 OE2 GLU A 56 32.170 -14.127 -21.814 1.00 0.00 O ATOM 0 H GLU A 56 30.082 -11.549 -16.842 1.00 0.00 H new ATOM 0 HA GLU A 56 32.058 -13.578 -16.818 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.203 -13.113 -18.515 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.144 -11.749 -19.084 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.059 -13.275 -19.595 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.131 -14.642 -19.011 1.00 0.00 H new ATOM 343 N GLN A 57 33.117 -10.505 -17.454 1.00 0.00 N ATOM 344 CA GLN A 57 34.307 -9.672 -17.550 1.00 0.00 C ATOM 345 C GLN A 57 34.994 -9.554 -16.187 1.00 0.00 C ATOM 346 O GLN A 57 36.176 -9.866 -16.061 1.00 0.00 O ATOM 347 CB GLN A 57 33.909 -8.286 -18.066 1.00 0.00 C ATOM 348 CG GLN A 57 33.538 -8.368 -19.550 1.00 0.00 C ATOM 349 CD GLN A 57 32.875 -7.076 -20.013 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.460 -6.312 -20.776 1.00 0.00 O ATOM 351 NE2 GLN A 57 31.651 -6.834 -19.548 1.00 0.00 N ATOM 0 H GLN A 57 32.240 -9.988 -17.520 1.00 0.00 H new ATOM 0 HA GLN A 57 35.011 -10.131 -18.244 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.065 -7.903 -17.492 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.733 -7.586 -17.926 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.433 -8.556 -20.144 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.863 -9.208 -19.715 1.00 0.00 H new ATOM 0 HE21 GLN A 57 31.205 -7.499 -18.916 1.00 0.00 H new ATOM 0 HE22 GLN A 57 31.159 -5.984 -19.824 1.00 0.00 H new ATOM 360 N ASN A 58 34.253 -9.090 -15.172 1.00 0.00 N ATOM 361 CA ASN A 58 34.801 -8.889 -13.835 1.00 0.00 C ATOM 362 C ASN A 58 34.888 -10.223 -13.095 1.00 0.00 C ATOM 363 O ASN A 58 35.959 -10.821 -13.018 1.00 0.00 O ATOM 364 CB ASN A 58 33.923 -7.890 -13.064 1.00 0.00 C ATOM 365 CG ASN A 58 33.947 -6.511 -13.718 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.773 -5.671 -13.372 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.036 -6.279 -14.664 1.00 0.00 N ATOM 0 H ASN A 58 33.266 -8.847 -15.258 1.00 0.00 H new ATOM 0 HA ASN A 58 35.808 -8.480 -13.914 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.898 -8.258 -13.025 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.274 -7.813 -12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.006 -5.373 -15.132 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.369 -7.007 -14.919 1.00 0.00 H new ATOM 374 N GLY A 59 33.759 -10.685 -12.545 1.00 0.00 N ATOM 375 CA GLY A 59 33.710 -11.934 -11.804 1.00 0.00 C ATOM 376 C GLY A 59 32.537 -11.917 -10.830 1.00 0.00 C ATOM 377 O GLY A 59 31.774 -10.952 -10.789 1.00 0.00 O ATOM 0 H GLY A 59 32.863 -10.201 -12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.608 -12.772 -12.494 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.643 -12.080 -11.260 1.00 0.00 H new ATOM 381 N THR A 60 32.403 -12.991 -10.042 1.00 0.00 N ATOM 382 CA THR A 60 31.338 -13.111 -9.048 1.00 0.00 C ATOM 383 C THR A 60 31.873 -12.723 -7.659 1.00 0.00 C ATOM 384 O THR A 60 31.142 -12.800 -6.672 1.00 0.00 O ATOM 385 CB THR A 60 30.784 -14.553 -9.064 1.00 0.00 C ATOM 386 OG1 THR A 60 29.911 -14.756 -7.975 1.00 0.00 O ATOM 387 CG2 THR A 60 31.924 -15.568 -8.981 1.00 0.00 C ATOM 0 H THR A 60 33.028 -13.796 -10.078 1.00 0.00 H new ATOM 0 HA THR A 60 30.522 -12.430 -9.290 1.00 0.00 H new ATOM 0 HB THR A 60 30.242 -14.693 -9.999 1.00 0.00 H new ATOM 0 HG1 THR A 60 30.066 -14.064 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.514 -16.578 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.591 -15.437 -9.833 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.481 -15.414 -8.057 1.00 0.00 H new ATOM 395 N ASP A 61 33.147 -12.304 -7.585 1.00 0.00 N ATOM 396 CA ASP A 61 33.751 -11.895 -6.327 1.00 0.00 C ATOM 397 C ASP A 61 33.065 -10.621 -5.835 1.00 0.00 C ATOM 398 O ASP A 61 32.351 -10.646 -4.833 1.00 0.00 O ATOM 399 CB ASP A 61 35.254 -11.680 -6.533 1.00 0.00 C ATOM 400 CG ASP A 61 35.927 -11.275 -5.228 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.222 -12.194 -4.434 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.134 -10.057 -5.051 1.00 0.00 O ATOM 0 H ASP A 61 33.772 -12.243 -8.389 1.00 0.00 H new ATOM 0 HA ASP A 61 33.621 -12.669 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.708 -12.595 -6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.416 -10.908 -7.285 1.00 0.00 H new ATOM 407 N ASP A 62 33.272 -9.509 -6.553 1.00 0.00 N ATOM 408 CA ASP A 62 32.635 -8.247 -6.216 1.00 0.00 C ATOM 409 C ASP A 62 31.223 -8.193 -6.770 1.00 0.00 C ATOM 410 O ASP A 62 30.859 -8.950 -7.670 1.00 0.00 O ATOM 411 CB ASP A 62 33.454 -7.061 -6.748 1.00 0.00 C ATOM 412 CG ASP A 62 33.815 -6.102 -5.621 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.860 -5.502 -5.065 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.022 -5.971 -5.336 1.00 0.00 O ATOM 0 H ASP A 62 33.879 -9.467 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 62 32.588 -8.177 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.363 -7.426 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.883 -6.533 -7.512 1.00 0.00 H new ATOM 419 N TRP A 63 30.442 -7.271 -6.217 1.00 0.00 N ATOM 420 CA TRP A 63 29.070 -7.037 -6.630 1.00 0.00 C ATOM 421 C TRP A 63 28.781 -5.538 -6.574 1.00 0.00 C ATOM 422 O TRP A 63 27.978 -5.034 -7.352 1.00 0.00 O ATOM 423 CB TRP A 63 28.128 -7.836 -5.734 1.00 0.00 C ATOM 424 CG TRP A 63 28.193 -9.312 -5.965 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.649 -10.228 -5.094 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.817 -10.067 -7.156 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.586 -11.492 -5.632 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.071 -11.452 -6.913 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.288 -9.729 -8.424 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.810 -12.439 -7.862 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.032 -10.725 -9.390 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.299 -12.077 -9.109 1.00 0.00 C ATOM 0 H TRP A 63 30.751 -6.660 -5.461 1.00 0.00 H new ATOM 0 HA TRP A 63 28.914 -7.372 -7.655 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.368 -7.629 -4.691 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.106 -7.495 -5.899 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.016 -10.002 -4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.879 -12.342 -5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.077 -8.695 -8.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.002 -13.477 -7.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.628 -10.447 -10.352 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.109 -12.833 -9.856 1.00 0.00 H new ATOM 443 N LYS A 64 29.459 -4.823 -5.662 1.00 0.00 N ATOM 444 CA LYS A 64 29.342 -3.379 -5.562 1.00 0.00 C ATOM 445 C LYS A 64 29.798 -2.750 -6.885 1.00 0.00 C ATOM 446 O LYS A 64 29.225 -1.759 -7.337 1.00 0.00 O ATOM 447 CB LYS A 64 30.181 -2.896 -4.352 1.00 0.00 C ATOM 448 CG LYS A 64 31.297 -1.928 -4.785 1.00 0.00 C ATOM 449 CD LYS A 64 32.072 -1.422 -3.556 1.00 0.00 C ATOM 450 CE LYS A 64 32.814 -2.573 -2.850 1.00 0.00 C ATOM 451 NZ LYS A 64 33.689 -3.318 -3.778 1.00 0.00 N ATOM 0 H LYS A 64 30.097 -5.236 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 64 28.310 -3.073 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.530 -2.402 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.621 -3.756 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.978 -2.431 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 64 30.867 -1.084 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 64 32.788 -0.659 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 31.382 -0.949 -2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 64 33.412 -2.171 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.088 -3.256 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 34.588 -3.540 -3.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 33.220 -4.201 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 33.876 -2.737 -4.620 1.00 0.00 H new ATOM 465 N VAL A 65 30.830 -3.341 -7.505 1.00 0.00 N ATOM 466 CA VAL A 65 31.359 -2.861 -8.772 1.00 0.00 C ATOM 467 C VAL A 65 30.281 -2.971 -9.851 1.00 0.00 C ATOM 468 O VAL A 65 30.072 -2.039 -10.624 1.00 0.00 O ATOM 469 CB VAL A 65 32.598 -3.692 -9.145 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.110 -3.276 -10.525 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.703 -3.467 -8.109 1.00 0.00 C ATOM 0 H VAL A 65 31.313 -4.161 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 65 31.651 -1.814 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 65 32.323 -4.746 -9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.988 -3.869 -10.782 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.330 -3.442 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.378 -2.220 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.579 -4.058 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.971 -2.411 -8.086 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.347 -3.772 -7.125 1.00 0.00 H new ATOM 481 N ILE A 66 29.598 -4.117 -9.896 1.00 0.00 N ATOM 482 CA ILE A 66 28.548 -4.356 -10.871 1.00 0.00 C ATOM 483 C ILE A 66 27.363 -3.427 -10.591 1.00 0.00 C ATOM 484 O ILE A 66 26.769 -2.887 -11.520 1.00 0.00 O ATOM 485 CB ILE A 66 28.136 -5.836 -10.813 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.313 -6.706 -11.294 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.918 -6.072 -11.714 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.127 -8.155 -10.847 1.00 0.00 C ATOM 0 H ILE A 66 29.761 -4.897 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 66 28.908 -4.140 -11.877 1.00 0.00 H new ATOM 0 HB ILE A 66 27.876 -6.103 -9.789 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.385 -6.661 -12.381 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.249 -6.314 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.630 -7.122 -11.669 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.088 -5.453 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.169 -5.808 -12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.968 -8.754 -11.196 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.078 -8.197 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.202 -8.549 -11.267 1.00 0.00 H new ATOM 500 N ALA A 67 27.026 -3.238 -9.309 1.00 0.00 N ATOM 501 CA ALA A 67 25.924 -2.372 -8.915 1.00 0.00 C ATOM 502 C ALA A 67 26.168 -0.946 -9.413 1.00 0.00 C ATOM 503 O ALA A 67 25.233 -0.268 -9.829 1.00 0.00 O ATOM 504 CB ALA A 67 25.777 -2.397 -7.394 1.00 0.00 C ATOM 0 H ALA A 67 27.509 -3.680 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 67 24.999 -2.734 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.952 -1.749 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.574 -3.416 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.700 -2.044 -6.933 1.00 0.00 H new ATOM 510 N ASN A 68 27.428 -0.491 -9.375 1.00 0.00 N ATOM 511 CA ASN A 68 27.773 0.846 -9.847 1.00 0.00 C ATOM 512 C ASN A 68 27.474 0.963 -11.344 1.00 0.00 C ATOM 513 O ASN A 68 27.073 2.027 -11.811 1.00 0.00 O ATOM 514 CB ASN A 68 29.254 1.133 -9.566 1.00 0.00 C ATOM 515 CG ASN A 68 29.430 1.826 -8.219 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.703 3.021 -8.165 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.273 1.074 -7.130 1.00 0.00 N ATOM 0 H ASN A 68 28.218 -1.031 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 68 27.171 1.583 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.817 0.200 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.663 1.760 -10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.380 1.489 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.046 0.084 -7.222 1.00 0.00 H new ATOM 524 N TYR A 69 27.666 -0.131 -12.094 1.00 0.00 N ATOM 525 CA TYR A 69 27.414 -0.138 -13.530 1.00 0.00 C ATOM 526 C TYR A 69 25.915 -0.291 -13.804 1.00 0.00 C ATOM 527 O TYR A 69 25.422 0.213 -14.811 1.00 0.00 O ATOM 528 CB TYR A 69 28.191 -1.286 -14.186 1.00 0.00 C ATOM 529 CG TYR A 69 29.688 -1.276 -13.918 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.382 -0.062 -13.726 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.391 -2.494 -13.878 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.768 -0.075 -13.492 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.776 -2.502 -13.650 1.00 0.00 C ATOM 534 CZ TYR A 69 32.464 -1.294 -13.454 1.00 0.00 C ATOM 535 OH TYR A 69 33.810 -1.303 -13.231 1.00 0.00 O ATOM 0 H TYR A 69 27.996 -1.022 -11.723 1.00 0.00 H new ATOM 0 HA TYR A 69 27.750 0.808 -13.954 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.779 -2.232 -13.835 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.028 -1.248 -15.263 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.848 0.876 -13.759 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.864 -3.425 -14.023 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.298 0.854 -13.341 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.313 -3.439 -13.625 1.00 0.00 H new ATOM 0 HH TYR A 69 34.136 -2.227 -13.235 1.00 0.00 H new ATOM 545 N LEU A 70 25.197 -0.988 -12.908 1.00 0.00 N ATOM 546 CA LEU A 70 23.762 -1.209 -13.051 1.00 0.00 C ATOM 547 C LEU A 70 23.015 -0.525 -11.899 1.00 0.00 C ATOM 548 O LEU A 70 22.763 -1.161 -10.875 1.00 0.00 O ATOM 549 CB LEU A 70 23.473 -2.718 -13.036 1.00 0.00 C ATOM 550 CG LEU A 70 24.119 -3.420 -14.241 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.868 -4.927 -14.130 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.510 -2.905 -15.549 1.00 0.00 C ATOM 0 H LEU A 70 25.599 -1.409 -12.071 1.00 0.00 H new ATOM 0 HA LEU A 70 23.422 -0.786 -13.996 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.852 -3.154 -12.112 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.396 -2.885 -13.049 1.00 0.00 H new ATOM 0 HG LEU A 70 25.189 -3.212 -14.244 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.322 -5.435 -14.981 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.308 -5.302 -13.206 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.795 -5.118 -14.124 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.978 -3.412 -16.393 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.438 -3.105 -15.555 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.679 -1.831 -15.631 1.00 0.00 H new ATOM 564 N PRO A 71 22.646 0.767 -12.052 1.00 0.00 N ATOM 565 CA PRO A 71 21.922 1.490 -11.027 1.00 0.00 C ATOM 566 C PRO A 71 20.642 0.743 -10.655 1.00 0.00 C ATOM 567 O PRO A 71 20.096 0.009 -11.475 1.00 0.00 O ATOM 568 CB PRO A 71 21.619 2.870 -11.617 1.00 0.00 C ATOM 569 CG PRO A 71 22.314 2.933 -12.983 1.00 0.00 C ATOM 570 CD PRO A 71 22.923 1.554 -13.236 1.00 0.00 C ATOM 0 HA PRO A 71 22.501 1.584 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.544 3.017 -11.723 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.985 3.659 -10.961 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.602 3.190 -13.767 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.086 3.703 -12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.486 1.092 -14.121 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.996 1.629 -13.412 1.00 0.00 H new ATOM 578 N ASN A 72 20.178 0.932 -9.407 1.00 0.00 N ATOM 579 CA ASN A 72 18.972 0.277 -8.880 1.00 0.00 C ATOM 580 C ASN A 72 19.268 -1.188 -8.530 1.00 0.00 C ATOM 581 O ASN A 72 18.759 -1.695 -7.530 1.00 0.00 O ATOM 582 CB ASN A 72 17.798 0.382 -9.870 1.00 0.00 C ATOM 583 CG ASN A 72 17.651 1.804 -10.410 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.776 2.032 -11.610 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.385 2.760 -9.519 1.00 0.00 N ATOM 0 H ASN A 72 20.633 1.548 -8.733 1.00 0.00 H new ATOM 0 HA ASN A 72 18.677 0.796 -7.968 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.955 -0.309 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.874 0.082 -9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.277 3.727 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.289 2.524 -8.531 1.00 0.00 H new ATOM 592 N ARG A 73 20.091 -1.867 -9.343 1.00 0.00 N ATOM 593 CA ARG A 73 20.453 -3.253 -9.093 1.00 0.00 C ATOM 594 C ARG A 73 21.543 -3.292 -8.023 1.00 0.00 C ATOM 595 O ARG A 73 22.720 -3.442 -8.339 1.00 0.00 O ATOM 596 CB ARG A 73 20.953 -3.917 -10.390 1.00 0.00 C ATOM 597 CG ARG A 73 20.002 -3.645 -11.563 1.00 0.00 C ATOM 598 CD ARG A 73 18.638 -4.284 -11.310 1.00 0.00 C ATOM 599 NE ARG A 73 17.829 -4.240 -12.533 1.00 0.00 N ATOM 600 CZ ARG A 73 16.697 -4.937 -12.700 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.248 -5.746 -11.734 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.020 -4.818 -13.844 1.00 0.00 N ATOM 0 H ARG A 73 20.515 -1.469 -10.181 1.00 0.00 H new ATOM 0 HA ARG A 73 19.579 -3.803 -8.746 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.948 -3.542 -10.632 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.046 -4.992 -10.237 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.886 -2.570 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.430 -4.041 -12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.766 -5.317 -10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.124 -3.758 -10.505 1.00 0.00 H new ATOM 0 HE ARG A 73 18.146 -3.646 -13.299 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.768 -5.836 -10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.385 -6.273 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.366 -4.202 -14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.157 -5.344 -13.983 1.00 0.00 H new ATOM 616 N THR A 74 21.151 -3.154 -6.752 1.00 0.00 N ATOM 617 CA THR A 74 22.101 -3.179 -5.647 1.00 0.00 C ATOM 618 C THR A 74 22.869 -4.509 -5.647 1.00 0.00 C ATOM 619 O THR A 74 22.427 -5.491 -6.249 1.00 0.00 O ATOM 620 CB THR A 74 21.362 -2.943 -4.316 1.00 0.00 C ATOM 621 OG1 THR A 74 22.279 -2.997 -3.245 1.00 0.00 O ATOM 622 CG2 THR A 74 20.284 -4.006 -4.101 1.00 0.00 C ATOM 0 H THR A 74 20.180 -3.024 -6.468 1.00 0.00 H new ATOM 0 HA THR A 74 22.829 -2.377 -5.769 1.00 0.00 H new ATOM 0 HB THR A 74 20.891 -1.961 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 74 21.805 -2.845 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.774 -3.821 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.563 -3.963 -4.917 1.00 0.00 H new ATOM 0 HG23 THR A 74 20.746 -4.993 -4.077 1.00 0.00 H new ATOM 630 N ASP A 75 24.028 -4.526 -4.977 1.00 0.00 N ATOM 631 CA ASP A 75 24.893 -5.699 -4.917 1.00 0.00 C ATOM 632 C ASP A 75 24.112 -6.940 -4.477 1.00 0.00 C ATOM 633 O ASP A 75 24.345 -8.028 -4.998 1.00 0.00 O ATOM 634 CB ASP A 75 26.052 -5.418 -3.955 1.00 0.00 C ATOM 635 CG ASP A 75 25.546 -4.895 -2.616 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.286 -3.673 -2.547 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.428 -5.725 -1.691 1.00 0.00 O ATOM 0 H ASP A 75 24.388 -3.723 -4.462 1.00 0.00 H new ATOM 0 HA ASP A 75 25.288 -5.901 -5.913 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.626 -6.331 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.729 -4.689 -4.401 1.00 0.00 H new ATOM 642 N VAL A 76 23.191 -6.779 -3.521 1.00 0.00 N ATOM 643 CA VAL A 76 22.396 -7.894 -3.021 1.00 0.00 C ATOM 644 C VAL A 76 21.580 -8.508 -4.162 1.00 0.00 C ATOM 645 O VAL A 76 21.538 -9.729 -4.309 1.00 0.00 O ATOM 646 CB VAL A 76 21.474 -7.406 -1.891 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.684 -8.589 -1.321 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.310 -6.772 -0.774 1.00 0.00 C ATOM 0 H VAL A 76 22.981 -5.883 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 76 23.058 -8.662 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 76 20.783 -6.665 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.032 -8.239 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.081 -9.038 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.376 -9.332 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.651 -6.428 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.006 -7.511 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.868 -5.925 -1.173 1.00 0.00 H new ATOM 658 N GLN A 77 20.929 -7.658 -4.965 1.00 0.00 N ATOM 659 CA GLN A 77 20.098 -8.112 -6.071 1.00 0.00 C ATOM 660 C GLN A 77 20.964 -8.711 -7.176 1.00 0.00 C ATOM 661 O GLN A 77 20.583 -9.711 -7.772 1.00 0.00 O ATOM 662 CB GLN A 77 19.264 -6.939 -6.603 1.00 0.00 C ATOM 663 CG GLN A 77 17.860 -6.963 -5.980 1.00 0.00 C ATOM 664 CD GLN A 77 17.915 -6.830 -4.459 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.906 -5.724 -3.932 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.967 -7.961 -3.754 1.00 0.00 N ATOM 0 H GLN A 77 20.967 -6.644 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 77 19.422 -8.890 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.758 -5.996 -6.369 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.189 -6.999 -7.689 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.264 -6.151 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.360 -7.894 -6.246 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.973 -8.861 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.001 -7.926 -2.735 1.00 0.00 H new ATOM 675 N CYS A 78 22.128 -8.110 -7.449 1.00 0.00 N ATOM 676 CA CYS A 78 23.029 -8.625 -8.475 1.00 0.00 C ATOM 677 C CYS A 78 23.488 -10.028 -8.084 1.00 0.00 C ATOM 678 O CYS A 78 23.427 -10.955 -8.893 1.00 0.00 O ATOM 679 CB CYS A 78 24.234 -7.694 -8.634 1.00 0.00 C ATOM 680 SG CYS A 78 23.699 -6.152 -9.414 1.00 0.00 S ATOM 0 H CYS A 78 22.463 -7.272 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 78 22.504 -8.672 -9.429 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.679 -7.487 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 78 25.002 -8.174 -9.240 1.00 0.00 H new ATOM 0 HG CYS A 78 23.376 -5.290 -8.496 1.00 0.00 H new ATOM 686 N GLN A 79 23.945 -10.178 -6.834 1.00 0.00 N ATOM 687 CA GLN A 79 24.410 -11.453 -6.322 1.00 0.00 C ATOM 688 C GLN A 79 23.287 -12.483 -6.393 1.00 0.00 C ATOM 689 O GLN A 79 23.459 -13.540 -6.989 1.00 0.00 O ATOM 690 CB GLN A 79 24.889 -11.270 -4.877 1.00 0.00 C ATOM 691 CG GLN A 79 25.453 -12.591 -4.340 1.00 0.00 C ATOM 692 CD GLN A 79 25.848 -12.462 -2.873 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.368 -13.215 -2.031 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.725 -11.506 -2.567 1.00 0.00 N ATOM 0 H GLN A 79 23.999 -9.415 -6.159 1.00 0.00 H new ATOM 0 HA GLN A 79 25.241 -11.814 -6.928 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.654 -10.494 -4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.062 -10.937 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.709 -13.380 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.321 -12.886 -4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.098 -10.903 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.023 -11.378 -1.600 1.00 0.00 H new ATOM 703 N HIS A 80 22.139 -12.170 -5.777 1.00 0.00 N ATOM 704 CA HIS A 80 21.000 -13.075 -5.754 1.00 0.00 C ATOM 705 C HIS A 80 20.611 -13.481 -7.168 1.00 0.00 C ATOM 706 O HIS A 80 20.532 -14.666 -7.464 1.00 0.00 O ATOM 707 CB HIS A 80 19.816 -12.399 -5.054 1.00 0.00 C ATOM 708 CG HIS A 80 19.850 -12.561 -3.558 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.784 -12.199 -2.745 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.798 -13.056 -2.697 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.145 -12.488 -1.480 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.365 -13.017 -1.381 1.00 0.00 N ATOM 0 H HIS A 80 21.982 -11.289 -5.287 1.00 0.00 H new ATOM 0 HA HIS A 80 21.277 -13.974 -5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.813 -11.337 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.886 -12.817 -5.439 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.763 -13.430 -3.007 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.507 -12.308 -0.627 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.859 -13.319 -0.541 1.00 0.00 H new ATOM 720 N ARG A 81 20.361 -12.503 -8.039 1.00 0.00 N ATOM 721 CA ARG A 81 19.945 -12.786 -9.399 1.00 0.00 C ATOM 722 C ARG A 81 20.890 -13.795 -10.045 1.00 0.00 C ATOM 723 O ARG A 81 20.438 -14.692 -10.747 1.00 0.00 O ATOM 724 CB ARG A 81 19.892 -11.488 -10.216 1.00 0.00 C ATOM 725 CG ARG A 81 19.448 -11.782 -11.662 1.00 0.00 C ATOM 726 CD ARG A 81 18.066 -12.449 -11.669 1.00 0.00 C ATOM 727 NE ARG A 81 17.528 -12.547 -13.030 1.00 0.00 N ATOM 728 CZ ARG A 81 16.308 -13.042 -13.299 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.541 -13.512 -12.305 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.856 -13.069 -14.558 1.00 0.00 N ATOM 0 H ARG A 81 20.441 -11.510 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 81 18.946 -13.221 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.199 -10.786 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.873 -11.012 -10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.415 -10.855 -12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.176 -12.432 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.138 -13.445 -11.232 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.380 -11.876 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 81 18.106 -12.225 -13.807 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.883 -13.494 -11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.615 -13.888 -12.509 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.438 -12.713 -15.316 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.930 -13.445 -14.759 1.00 0.00 H new ATOM 744 N TRP A 82 22.200 -13.657 -9.816 1.00 0.00 N ATOM 745 CA TRP A 82 23.155 -14.565 -10.414 1.00 0.00 C ATOM 746 C TRP A 82 23.262 -15.867 -9.611 1.00 0.00 C ATOM 747 O TRP A 82 22.767 -16.900 -10.041 1.00 0.00 O ATOM 748 CB TRP A 82 24.526 -13.896 -10.548 1.00 0.00 C ATOM 749 CG TRP A 82 25.490 -14.731 -11.324 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.412 -15.558 -10.804 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.594 -14.895 -12.768 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.072 -16.240 -11.795 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.601 -15.873 -13.041 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.927 -14.337 -13.883 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.915 -16.282 -14.338 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.249 -14.743 -15.194 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.237 -15.717 -15.418 1.00 0.00 C ATOM 0 H TRP A 82 22.609 -12.932 -9.227 1.00 0.00 H new ATOM 0 HA TRP A 82 22.797 -14.818 -11.412 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.410 -12.929 -11.038 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.933 -13.704 -9.555 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.608 -15.671 -9.748 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.810 -16.925 -11.634 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.162 -13.591 -13.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.677 -17.030 -14.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.732 -14.302 -16.033 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.471 -16.028 -16.426 1.00 0.00 H new ATOM 768 N GLN A 83 23.926 -15.815 -8.455 1.00 0.00 N ATOM 769 CA GLN A 83 24.192 -16.998 -7.641 1.00 0.00 C ATOM 770 C GLN A 83 22.927 -17.821 -7.371 1.00 0.00 C ATOM 771 O GLN A 83 22.999 -19.047 -7.318 1.00 0.00 O ATOM 772 CB GLN A 83 24.834 -16.559 -6.319 1.00 0.00 C ATOM 773 CG GLN A 83 26.284 -16.112 -6.562 1.00 0.00 C ATOM 774 CD GLN A 83 27.171 -17.297 -6.949 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.879 -18.436 -6.596 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.256 -17.027 -7.674 1.00 0.00 N ATOM 0 H GLN A 83 24.294 -14.950 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 83 24.872 -17.644 -8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.261 -15.742 -5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.813 -17.382 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.308 -15.362 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.677 -15.639 -5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.461 -16.066 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.881 -17.782 -7.957 1.00 0.00 H new ATOM 785 N LYS A 84 21.777 -17.164 -7.184 1.00 0.00 N ATOM 786 CA LYS A 84 20.542 -17.870 -6.859 1.00 0.00 C ATOM 787 C LYS A 84 19.845 -18.406 -8.120 1.00 0.00 C ATOM 788 O LYS A 84 18.965 -19.257 -8.002 1.00 0.00 O ATOM 789 CB LYS A 84 19.606 -16.929 -6.081 1.00 0.00 C ATOM 790 CG LYS A 84 18.779 -17.723 -5.058 1.00 0.00 C ATOM 791 CD LYS A 84 19.312 -17.473 -3.640 1.00 0.00 C ATOM 792 CE LYS A 84 20.727 -18.045 -3.497 1.00 0.00 C ATOM 793 NZ LYS A 84 21.243 -17.844 -2.131 1.00 0.00 N ATOM 0 H LYS A 84 21.680 -16.151 -7.252 1.00 0.00 H new ATOM 0 HA LYS A 84 20.791 -18.731 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.191 -16.164 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.941 -16.412 -6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.731 -17.428 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.824 -18.787 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 84 19.322 -16.403 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.650 -17.935 -2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.718 -19.109 -3.733 1.00 0.00 H new ATOM 0 HE3 LYS A 84 21.392 -17.564 -4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 22.202 -18.240 -2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 21.272 -16.827 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 20.620 -18.323 -1.450 1.00 0.00 H new ATOM 807 N VAL A 85 20.220 -17.915 -9.321 1.00 0.00 N ATOM 808 CA VAL A 85 19.587 -18.363 -10.565 1.00 0.00 C ATOM 809 C VAL A 85 20.651 -18.669 -11.634 1.00 0.00 C ATOM 810 O VAL A 85 20.905 -19.838 -11.923 1.00 0.00 O ATOM 811 CB VAL A 85 18.580 -17.302 -11.055 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.693 -17.906 -12.147 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.697 -16.828 -9.891 1.00 0.00 C ATOM 0 H VAL A 85 20.951 -17.215 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 85 19.040 -19.287 -10.375 1.00 0.00 H new ATOM 0 HB VAL A 85 19.132 -16.451 -11.454 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.981 -17.157 -12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.314 -18.230 -12.982 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.151 -18.762 -11.744 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.991 -16.080 -10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.149 -17.676 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.324 -16.391 -9.113 1.00 0.00 H new ATOM 823 N LEU A 86 21.272 -17.632 -12.226 1.00 0.00 N ATOM 824 CA LEU A 86 22.289 -17.835 -13.259 1.00 0.00 C ATOM 825 C LEU A 86 23.575 -18.348 -12.619 1.00 0.00 C ATOM 826 O LEU A 86 24.382 -17.560 -12.143 1.00 0.00 O ATOM 827 CB LEU A 86 22.605 -16.519 -13.997 1.00 0.00 C ATOM 828 CG LEU A 86 21.439 -16.009 -14.864 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.770 -17.163 -15.608 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.417 -15.272 -14.000 1.00 0.00 C ATOM 0 H LEU A 86 21.085 -16.654 -12.005 1.00 0.00 H new ATOM 0 HA LEU A 86 21.899 -18.560 -13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.866 -15.754 -13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.481 -16.667 -14.629 1.00 0.00 H new ATOM 0 HG LEU A 86 21.841 -15.314 -15.601 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.949 -16.778 -16.214 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.500 -17.651 -16.254 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.383 -17.884 -14.888 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.599 -14.917 -14.627 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.026 -15.950 -13.241 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.897 -14.422 -13.514 1.00 0.00 H new ATOM 842 N ASN A 87 23.776 -19.663 -12.621 1.00 0.00 N ATOM 843 CA ASN A 87 24.993 -20.246 -12.078 1.00 0.00 C ATOM 844 C ASN A 87 25.341 -21.522 -12.847 1.00 0.00 C ATOM 845 O ASN A 87 25.059 -22.626 -12.379 1.00 0.00 O ATOM 846 CB ASN A 87 24.807 -20.527 -10.582 1.00 0.00 C ATOM 847 CG ASN A 87 26.135 -20.921 -9.936 1.00 0.00 C ATOM 848 OD1 ASN A 87 26.793 -20.093 -9.313 1.00 0.00 O ATOM 849 ND2 ASN A 87 26.529 -22.185 -10.091 1.00 0.00 N ATOM 0 H ASN A 87 23.111 -20.342 -12.993 1.00 0.00 H new ATOM 0 HA ASN A 87 25.822 -19.547 -12.191 1.00 0.00 H new ATOM 0 HB2 ASN A 87 24.405 -19.642 -10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.079 -21.327 -10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.410 -22.498 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 87 25.949 -22.839 -10.617 1.00 0.00 H new ATOM 856 N PRO A 88 25.962 -21.377 -14.034 1.00 0.00 N ATOM 857 CA PRO A 88 26.370 -22.504 -14.847 1.00 0.00 C ATOM 858 C PRO A 88 27.544 -23.240 -14.195 1.00 0.00 C ATOM 859 O PRO A 88 27.848 -24.373 -14.568 1.00 0.00 O ATOM 860 CB PRO A 88 26.777 -21.908 -16.198 1.00 0.00 C ATOM 861 CG PRO A 88 26.878 -20.391 -15.996 1.00 0.00 C ATOM 862 CD PRO A 88 26.288 -20.091 -14.618 1.00 0.00 C ATOM 0 HA PRO A 88 25.570 -23.236 -14.959 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.730 -22.319 -16.531 1.00 0.00 H new ATOM 0 HB3 PRO A 88 26.041 -22.148 -16.965 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.915 -20.061 -16.053 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.331 -19.860 -16.775 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.002 -19.550 -13.997 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.400 -19.464 -14.702 1.00 0.00 H new ATOM 870 N GLU A 89 28.202 -22.586 -13.222 1.00 0.00 N ATOM 871 CA GLU A 89 29.343 -23.155 -12.528 1.00 0.00 C ATOM 872 C GLU A 89 28.877 -24.270 -11.585 1.00 0.00 C ATOM 873 O GLU A 89 28.833 -24.087 -10.370 1.00 0.00 O ATOM 874 CB GLU A 89 30.065 -22.046 -11.744 1.00 0.00 C ATOM 875 CG GLU A 89 30.308 -20.819 -12.636 1.00 0.00 C ATOM 876 CD GLU A 89 30.986 -21.206 -13.944 1.00 0.00 C ATOM 877 OE1 GLU A 89 32.143 -21.673 -13.868 1.00 0.00 O ATOM 878 OE2 GLU A 89 30.334 -21.026 -14.996 1.00 0.00 O ATOM 0 H GLU A 89 27.949 -21.650 -12.904 1.00 0.00 H new ATOM 0 HA GLU A 89 30.036 -23.586 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 89 29.469 -21.759 -10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 89 31.016 -22.421 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 89 29.358 -20.328 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 89 30.927 -20.097 -12.103 1.00 0.00 H new HETATM 885 N NH2 A 90 28.530 -25.425 -12.150 1.00 0.00 N TER 888 NH2 A 90