USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 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= 0.226 K(o=0.68,f=-0.52) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -175:sc= 0.456 (180deg=0) USER MOD Set 2.1: A 57 GLN : amide:sc= 0.0376 X(o=0.68,f=0.84) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.645 X(o=0.68,f=0.84) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 160:sc= -0.0249 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 3.5 (180deg=3.37) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.03) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0.912 (180deg=0.865) USER MOD Single : A 68 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.55) 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 USER MOD Single : A 77 GLN : amide:sc= 0.736 K(o=0.74,f=-4.5!) USER MOD Single : A 78 CYS SG : rot 94:sc= 0.359 USER MOD Single : A 79 GLN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.4) USER MOD Single : A 87 ASN : amide:sc= 1.17 K(o=1.2,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 5.590 -14.154 -10.586 1.00 0.00 N ATOM 2 CA LEU A 38 5.714 -12.706 -10.340 1.00 0.00 C ATOM 3 C LEU A 38 6.483 -12.465 -9.045 1.00 0.00 C ATOM 4 O LEU A 38 6.553 -13.351 -8.193 1.00 0.00 O ATOM 5 CB LEU A 38 4.330 -12.042 -10.261 1.00 0.00 C ATOM 6 CG LEU A 38 3.518 -12.307 -11.541 1.00 0.00 C ATOM 7 CD1 LEU A 38 2.144 -11.646 -11.411 1.00 0.00 C ATOM 8 CD2 LEU A 38 4.244 -11.728 -12.761 1.00 0.00 C ATOM 0 HA LEU A 38 6.259 -12.261 -11.172 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.788 -12.425 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.446 -10.968 -10.115 1.00 0.00 H new ATOM 0 HG LEU A 38 3.405 -13.383 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.564 -11.831 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.619 -12.064 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.269 -10.572 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.658 -11.923 -13.659 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.367 -10.652 -12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.223 -12.197 -12.858 1.00 0.00 H new ATOM 22 N GLY A 39 7.060 -11.266 -8.899 1.00 0.00 N ATOM 23 CA GLY A 39 7.825 -10.917 -7.713 1.00 0.00 C ATOM 24 C GLY A 39 9.082 -11.779 -7.624 1.00 0.00 C ATOM 25 O GLY A 39 9.593 -12.229 -8.647 1.00 0.00 O ATOM 0 H GLY A 39 7.006 -10.523 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.100 -9.863 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.214 -11.060 -6.822 1.00 0.00 H new ATOM 29 N LYS A 40 9.568 -11.999 -6.387 1.00 0.00 N ATOM 30 CA LYS A 40 10.764 -12.803 -6.111 1.00 0.00 C ATOM 31 C LYS A 40 12.020 -12.078 -6.612 1.00 0.00 C ATOM 32 O LYS A 40 12.839 -11.638 -5.808 1.00 0.00 O ATOM 33 CB LYS A 40 10.646 -14.209 -6.738 1.00 0.00 C ATOM 34 CG LYS A 40 9.337 -14.892 -6.309 1.00 0.00 C ATOM 35 CD LYS A 40 9.330 -15.122 -4.794 1.00 0.00 C ATOM 36 CE LYS A 40 8.160 -16.038 -4.421 1.00 0.00 C ATOM 37 NZ LYS A 40 8.116 -16.275 -2.966 1.00 0.00 N ATOM 0 H LYS A 40 9.134 -11.618 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 40 10.849 -12.932 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.681 -14.131 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.496 -14.820 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.486 -14.274 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.228 -15.844 -6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.272 -15.571 -4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.241 -14.170 -4.271 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.223 -15.588 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.257 -16.989 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.315 -16.898 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.002 -16.726 -2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.000 -15.368 -2.470 1.00 0.00 H new ATOM 51 N THR A 41 12.169 -11.959 -7.934 1.00 0.00 N ATOM 52 CA THR A 41 13.316 -11.298 -8.532 1.00 0.00 C ATOM 53 C THR A 41 12.933 -10.809 -9.935 1.00 0.00 C ATOM 54 O THR A 41 13.135 -11.503 -10.930 1.00 0.00 O ATOM 55 CB THR A 41 14.522 -12.261 -8.538 1.00 0.00 C ATOM 56 OG1 THR A 41 15.541 -11.752 -9.369 1.00 0.00 O ATOM 57 CG2 THR A 41 14.113 -13.660 -9.024 1.00 0.00 C ATOM 0 H THR A 41 11.497 -12.319 -8.612 1.00 0.00 H new ATOM 0 HA THR A 41 13.612 -10.425 -7.950 1.00 0.00 H new ATOM 0 HB THR A 41 14.890 -12.345 -7.516 1.00 0.00 H new ATOM 0 HG1 THR A 41 16.395 -12.169 -9.132 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.983 -14.316 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.348 -14.066 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.718 -13.592 -10.037 1.00 0.00 H new ATOM 65 N ARG A 42 12.364 -9.599 -9.998 1.00 0.00 N ATOM 66 CA ARG A 42 11.917 -9.009 -11.251 1.00 0.00 C ATOM 67 C ARG A 42 13.121 -8.622 -12.110 1.00 0.00 C ATOM 68 O ARG A 42 13.823 -7.655 -11.805 1.00 0.00 O ATOM 69 CB ARG A 42 11.042 -7.788 -10.948 1.00 0.00 C ATOM 70 CG ARG A 42 10.408 -7.268 -12.242 1.00 0.00 C ATOM 71 CD ARG A 42 9.438 -6.130 -11.917 1.00 0.00 C ATOM 72 NE ARG A 42 8.774 -5.647 -13.134 1.00 0.00 N ATOM 73 CZ ARG A 42 7.833 -4.686 -13.125 1.00 0.00 C ATOM 74 NH1 ARG A 42 7.467 -4.110 -11.972 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.260 -4.304 -14.274 1.00 0.00 N ATOM 0 H ARG A 42 12.204 -9.009 -9.181 1.00 0.00 H new ATOM 0 HA ARG A 42 11.327 -9.735 -11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.264 -8.056 -10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 42 11.643 -7.004 -10.487 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.183 -6.916 -12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.880 -8.075 -12.750 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.691 -6.476 -11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.978 -5.311 -11.442 1.00 0.00 H new ATOM 0 HE ARG A 42 9.039 -6.060 -14.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.902 -4.400 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.753 -3.382 -11.970 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.538 -4.742 -15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.546 -3.576 -14.270 1.00 0.00 H new ATOM 89 N TRP A 43 13.352 -9.383 -13.184 1.00 0.00 N ATOM 90 CA TRP A 43 14.461 -9.145 -14.096 1.00 0.00 C ATOM 91 C TRP A 43 14.010 -9.413 -15.530 1.00 0.00 C ATOM 92 O TRP A 43 12.958 -10.015 -15.750 1.00 0.00 O ATOM 93 CB TRP A 43 15.626 -10.063 -13.716 1.00 0.00 C ATOM 94 CG TRP A 43 16.533 -9.521 -12.657 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.260 -9.463 -11.344 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.868 -8.953 -12.796 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.304 -8.910 -10.646 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.337 -8.572 -11.499 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.737 -8.719 -13.884 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.593 -7.993 -11.297 1.00 0.00 C ATOM 101 CZ3 TRP A 43 20.001 -8.128 -13.688 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.429 -7.766 -12.397 1.00 0.00 C ATOM 0 H TRP A 43 12.771 -10.181 -13.441 1.00 0.00 H new ATOM 0 HA TRP A 43 14.789 -8.108 -14.025 1.00 0.00 H new ATOM 0 HB2 TRP A 43 15.222 -11.017 -13.376 1.00 0.00 H new ATOM 0 HB3 TRP A 43 16.216 -10.267 -14.610 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.339 -9.807 -10.896 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.316 -8.768 -9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.428 -8.997 -14.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.916 -7.723 -10.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.647 -7.951 -14.535 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.400 -7.314 -12.255 1.00 0.00 H new ATOM 113 N THR A 44 14.813 -8.960 -16.501 1.00 0.00 N ATOM 114 CA THR A 44 14.515 -9.136 -17.917 1.00 0.00 C ATOM 115 C THR A 44 15.796 -9.516 -18.658 1.00 0.00 C ATOM 116 O THR A 44 16.889 -9.210 -18.192 1.00 0.00 O ATOM 117 CB THR A 44 13.932 -7.833 -18.482 1.00 0.00 C ATOM 118 OG1 THR A 44 14.751 -6.744 -18.106 1.00 0.00 O ATOM 119 CG2 THR A 44 12.519 -7.614 -17.939 1.00 0.00 C ATOM 0 H THR A 44 15.685 -8.463 -16.321 1.00 0.00 H new ATOM 0 HA THR A 44 13.782 -9.932 -18.048 1.00 0.00 H new ATOM 0 HB THR A 44 13.893 -7.904 -19.569 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.378 -5.914 -18.469 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.113 -6.687 -18.345 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.883 -8.449 -18.233 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.553 -7.550 -16.851 1.00 0.00 H new ATOM 127 N ARG A 45 15.653 -10.180 -19.815 1.00 0.00 N ATOM 128 CA ARG A 45 16.795 -10.614 -20.622 1.00 0.00 C ATOM 129 C ARG A 45 17.734 -9.431 -20.894 1.00 0.00 C ATOM 130 O ARG A 45 18.956 -9.589 -20.868 1.00 0.00 O ATOM 131 CB ARG A 45 16.264 -11.282 -21.925 1.00 0.00 C ATOM 132 CG ARG A 45 16.735 -10.566 -23.213 1.00 0.00 C ATOM 133 CD ARG A 45 18.199 -10.924 -23.534 1.00 0.00 C ATOM 134 NE ARG A 45 19.059 -9.729 -23.598 1.00 0.00 N ATOM 135 CZ ARG A 45 18.949 -8.774 -24.540 1.00 0.00 C ATOM 136 NH1 ARG A 45 17.915 -8.778 -25.390 1.00 0.00 N ATOM 137 NH2 ARG A 45 19.876 -7.812 -24.623 1.00 0.00 N ATOM 0 H ARG A 45 14.747 -10.428 -20.212 1.00 0.00 H new ATOM 0 HA ARG A 45 17.386 -11.355 -20.085 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.593 -12.321 -21.953 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.174 -11.294 -21.901 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.095 -10.851 -24.048 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.638 -9.487 -23.091 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.581 -11.605 -22.773 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.242 -11.453 -24.486 1.00 0.00 H new ATOM 0 HE ARG A 45 19.781 -9.619 -22.886 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.205 -9.507 -25.326 1.00 0.00 H new ATOM 0 HH12 ARG A 45 17.837 -8.052 -26.102 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.663 -7.804 -23.974 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.796 -7.087 -25.336 1.00 0.00 H new ATOM 151 N GLU A 46 17.159 -8.247 -21.151 1.00 0.00 N ATOM 152 CA GLU A 46 17.936 -7.057 -21.458 1.00 0.00 C ATOM 153 C GLU A 46 18.857 -6.693 -20.291 1.00 0.00 C ATOM 154 O GLU A 46 19.916 -6.117 -20.511 1.00 0.00 O ATOM 155 CB GLU A 46 16.977 -5.904 -21.788 1.00 0.00 C ATOM 156 CG GLU A 46 17.731 -4.760 -22.484 1.00 0.00 C ATOM 157 CD GLU A 46 18.356 -5.219 -23.801 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.638 -5.895 -24.570 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.544 -4.889 -24.012 1.00 0.00 O ATOM 0 H GLU A 46 16.150 -8.097 -21.150 1.00 0.00 H new ATOM 0 HA GLU A 46 18.571 -7.251 -22.323 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.175 -6.264 -22.432 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.511 -5.537 -20.873 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.046 -3.934 -22.674 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.511 -4.382 -21.823 1.00 0.00 H new ATOM 166 N GLU A 47 18.452 -7.029 -19.058 1.00 0.00 N ATOM 167 CA GLU A 47 19.240 -6.731 -17.869 1.00 0.00 C ATOM 168 C GLU A 47 20.188 -7.896 -17.562 1.00 0.00 C ATOM 169 O GLU A 47 21.380 -7.687 -17.336 1.00 0.00 O ATOM 170 CB GLU A 47 18.289 -6.482 -16.693 1.00 0.00 C ATOM 171 CG GLU A 47 19.010 -5.706 -15.587 1.00 0.00 C ATOM 172 CD GLU A 47 18.783 -4.209 -15.740 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.763 -3.734 -15.188 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.627 -3.570 -16.401 1.00 0.00 O ATOM 0 H GLU A 47 17.574 -7.511 -18.865 1.00 0.00 H new ATOM 0 HA GLU A 47 19.844 -5.839 -18.038 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.418 -5.922 -17.032 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.925 -7.432 -16.303 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.650 -6.035 -14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 47 20.078 -5.922 -15.622 1.00 0.00 H new ATOM 181 N ASP A 48 19.645 -9.124 -17.553 1.00 0.00 N ATOM 182 CA ASP A 48 20.417 -10.327 -17.257 1.00 0.00 C ATOM 183 C ASP A 48 21.650 -10.408 -18.149 1.00 0.00 C ATOM 184 O ASP A 48 22.722 -10.783 -17.687 1.00 0.00 O ATOM 185 CB ASP A 48 19.533 -11.562 -17.469 1.00 0.00 C ATOM 186 CG ASP A 48 18.486 -11.686 -16.371 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.881 -11.570 -15.195 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.306 -11.901 -16.725 1.00 0.00 O ATOM 0 H ASP A 48 18.661 -9.304 -17.751 1.00 0.00 H new ATOM 0 HA ASP A 48 20.749 -10.289 -16.219 1.00 0.00 H new ATOM 0 HB2 ASP A 48 19.040 -11.497 -18.439 1.00 0.00 H new ATOM 0 HB3 ASP A 48 20.154 -12.458 -17.486 1.00 0.00 H new ATOM 193 N GLU A 49 21.495 -10.060 -19.427 1.00 0.00 N ATOM 194 CA GLU A 49 22.594 -10.093 -20.375 1.00 0.00 C ATOM 195 C GLU A 49 23.732 -9.183 -19.895 1.00 0.00 C ATOM 196 O GLU A 49 24.897 -9.572 -19.951 1.00 0.00 O ATOM 197 CB GLU A 49 22.063 -9.666 -21.746 1.00 0.00 C ATOM 198 CG GLU A 49 23.192 -9.649 -22.786 1.00 0.00 C ATOM 199 CD GLU A 49 23.460 -8.231 -23.273 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.473 -7.578 -23.685 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.641 -7.824 -23.225 1.00 0.00 O ATOM 0 H GLU A 49 20.609 -9.750 -19.826 1.00 0.00 H new ATOM 0 HA GLU A 49 23.002 -11.101 -20.454 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.278 -10.351 -22.066 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.613 -8.676 -21.675 1.00 0.00 H new ATOM 0 HG2 GLU A 49 24.100 -10.066 -22.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.924 -10.283 -23.631 1.00 0.00 H new ATOM 208 N LYS A 50 23.397 -7.976 -19.417 1.00 0.00 N ATOM 209 CA LYS A 50 24.403 -7.035 -18.934 1.00 0.00 C ATOM 210 C LYS A 50 25.080 -7.612 -17.695 1.00 0.00 C ATOM 211 O LYS A 50 26.304 -7.612 -17.601 1.00 0.00 O ATOM 212 CB LYS A 50 23.764 -5.676 -18.603 1.00 0.00 C ATOM 213 CG LYS A 50 22.869 -5.194 -19.750 1.00 0.00 C ATOM 214 CD LYS A 50 23.690 -4.985 -21.028 1.00 0.00 C ATOM 215 CE LYS A 50 22.804 -4.356 -22.112 1.00 0.00 C ATOM 216 NZ LYS A 50 21.692 -5.252 -22.481 1.00 0.00 N ATOM 0 H LYS A 50 22.438 -7.634 -19.357 1.00 0.00 H new ATOM 0 HA LYS A 50 25.145 -6.879 -19.717 1.00 0.00 H new ATOM 0 HB2 LYS A 50 23.176 -5.760 -17.689 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.545 -4.940 -18.413 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.081 -5.924 -19.934 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.381 -4.261 -19.469 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.544 -4.340 -20.822 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.088 -5.938 -21.377 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.406 -3.407 -21.754 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.405 -4.137 -22.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.171 -4.846 -23.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.070 -6.183 -22.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.049 -5.360 -21.671 1.00 0.00 H new ATOM 230 N LEU A 51 24.274 -8.106 -16.744 1.00 0.00 N ATOM 231 CA LEU A 51 24.792 -8.690 -15.516 1.00 0.00 C ATOM 232 C LEU A 51 25.782 -9.802 -15.855 1.00 0.00 C ATOM 233 O LEU A 51 26.890 -9.823 -15.332 1.00 0.00 O ATOM 234 CB LEU A 51 23.617 -9.226 -14.682 1.00 0.00 C ATOM 235 CG LEU A 51 24.124 -9.943 -13.418 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.821 -8.945 -12.489 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.938 -10.573 -12.684 1.00 0.00 C ATOM 0 H LEU A 51 23.256 -8.109 -16.811 1.00 0.00 H new ATOM 0 HA LEU A 51 25.319 -7.936 -14.932 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.961 -8.403 -14.400 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.024 -9.915 -15.283 1.00 0.00 H new ATOM 0 HG LEU A 51 24.835 -10.716 -13.708 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.175 -9.464 -11.598 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.667 -8.495 -13.008 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.117 -8.165 -12.199 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.293 -11.082 -11.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.229 -9.794 -12.402 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.445 -11.292 -13.338 1.00 0.00 H new ATOM 249 N LYS A 52 25.376 -10.721 -16.736 1.00 0.00 N ATOM 250 CA LYS A 52 26.219 -11.833 -17.141 1.00 0.00 C ATOM 251 C LYS A 52 27.532 -11.316 -17.724 1.00 0.00 C ATOM 252 O LYS A 52 28.600 -11.715 -17.281 1.00 0.00 O ATOM 253 CB LYS A 52 25.469 -12.686 -18.170 1.00 0.00 C ATOM 254 CG LYS A 52 26.383 -13.812 -18.669 1.00 0.00 C ATOM 255 CD LYS A 52 25.573 -14.838 -19.465 1.00 0.00 C ATOM 256 CE LYS A 52 25.081 -14.214 -20.774 1.00 0.00 C ATOM 257 NZ LYS A 52 24.514 -15.239 -21.667 1.00 0.00 N ATOM 0 H LYS A 52 24.459 -10.710 -17.182 1.00 0.00 H new ATOM 0 HA LYS A 52 26.454 -12.447 -16.272 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.569 -13.106 -17.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.149 -12.066 -19.007 1.00 0.00 H new ATOM 0 HG2 LYS A 52 27.174 -13.398 -19.295 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.868 -14.298 -17.823 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.187 -15.713 -19.678 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.724 -15.181 -18.874 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.327 -13.457 -20.559 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.908 -13.709 -21.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.188 -14.791 -22.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.242 -15.948 -21.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.711 -15.703 -21.197 1.00 0.00 H new ATOM 271 N LYS A 53 27.444 -10.432 -18.724 1.00 0.00 N ATOM 272 CA LYS A 53 28.623 -9.888 -19.388 1.00 0.00 C ATOM 273 C LYS A 53 29.587 -9.279 -18.365 1.00 0.00 C ATOM 274 O LYS A 53 30.786 -9.547 -18.407 1.00 0.00 O ATOM 275 CB LYS A 53 28.182 -8.831 -20.408 1.00 0.00 C ATOM 276 CG LYS A 53 27.413 -9.500 -21.559 1.00 0.00 C ATOM 277 CD LYS A 53 28.317 -9.633 -22.791 1.00 0.00 C ATOM 278 CE LYS A 53 28.365 -8.304 -23.556 1.00 0.00 C ATOM 279 NZ LYS A 53 27.105 -8.060 -24.287 1.00 0.00 N ATOM 0 H LYS A 53 26.560 -10.079 -19.090 1.00 0.00 H new ATOM 0 HA LYS A 53 29.149 -10.692 -19.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.551 -8.086 -19.923 1.00 0.00 H new ATOM 0 HB3 LYS A 53 29.053 -8.305 -20.799 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.062 -10.484 -21.248 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.531 -8.911 -21.808 1.00 0.00 H new ATOM 0 HD2 LYS A 53 29.322 -9.922 -22.484 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.943 -10.423 -23.442 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.547 -7.487 -22.858 1.00 0.00 H new ATOM 0 HE3 LYS A 53 29.199 -8.316 -24.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 27.226 -7.248 -24.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.857 -8.903 -24.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.344 -7.857 -23.608 1.00 0.00 H new ATOM 293 N LEU A 54 29.061 -8.457 -17.451 1.00 0.00 N ATOM 294 CA LEU A 54 29.878 -7.793 -16.444 1.00 0.00 C ATOM 295 C LEU A 54 30.498 -8.816 -15.488 1.00 0.00 C ATOM 296 O LEU A 54 31.674 -8.700 -15.144 1.00 0.00 O ATOM 297 CB LEU A 54 29.014 -6.788 -15.675 1.00 0.00 C ATOM 298 CG LEU A 54 28.642 -5.602 -16.582 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.517 -4.797 -15.929 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.862 -4.695 -16.791 1.00 0.00 C ATOM 0 H LEU A 54 28.066 -8.238 -17.393 1.00 0.00 H new ATOM 0 HA LEU A 54 30.693 -7.263 -16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.109 -7.277 -15.314 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.554 -6.429 -14.799 1.00 0.00 H new ATOM 0 HG LEU A 54 28.311 -5.982 -17.548 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.252 -3.956 -16.570 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.645 -5.436 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.851 -4.424 -14.961 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.588 -3.859 -17.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.202 -4.315 -15.828 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.664 -5.266 -17.260 1.00 0.00 H new ATOM 312 N VAL A 55 29.713 -9.811 -15.057 1.00 0.00 N ATOM 313 CA VAL A 55 30.193 -10.836 -14.137 1.00 0.00 C ATOM 314 C VAL A 55 31.300 -11.660 -14.800 1.00 0.00 C ATOM 315 O VAL A 55 32.290 -11.984 -14.160 1.00 0.00 O ATOM 316 CB VAL A 55 29.016 -11.728 -13.705 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.537 -13.014 -13.053 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.149 -10.973 -12.694 1.00 0.00 C ATOM 0 H VAL A 55 28.738 -9.924 -15.336 1.00 0.00 H new ATOM 0 HA VAL A 55 30.614 -10.365 -13.249 1.00 0.00 H new ATOM 0 HB VAL A 55 28.427 -11.984 -14.586 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.694 -13.636 -12.752 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.154 -13.560 -13.767 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.133 -12.762 -12.176 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.315 -11.604 -12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.749 -10.715 -11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.765 -10.062 -13.153 1.00 0.00 H new ATOM 328 N GLU A 56 31.130 -11.997 -16.079 1.00 0.00 N ATOM 329 CA GLU A 56 32.117 -12.778 -16.811 1.00 0.00 C ATOM 330 C GLU A 56 33.389 -11.949 -17.023 1.00 0.00 C ATOM 331 O GLU A 56 34.496 -12.470 -16.914 1.00 0.00 O ATOM 332 CB GLU A 56 31.520 -13.202 -18.158 1.00 0.00 C ATOM 333 CG GLU A 56 30.446 -14.279 -17.936 1.00 0.00 C ATOM 334 CD GLU A 56 29.657 -14.555 -19.215 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.736 -13.711 -20.136 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.984 -15.608 -19.248 1.00 0.00 O ATOM 0 H GLU A 56 30.311 -11.737 -16.629 1.00 0.00 H new ATOM 0 HA GLU A 56 32.381 -13.668 -16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 56 31.084 -12.339 -18.661 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.305 -13.587 -18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.918 -15.200 -17.593 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.764 -13.957 -17.149 1.00 0.00 H new ATOM 343 N GLN A 57 33.217 -10.660 -17.334 1.00 0.00 N ATOM 344 CA GLN A 57 34.330 -9.759 -17.597 1.00 0.00 C ATOM 345 C GLN A 57 35.154 -9.510 -16.329 1.00 0.00 C ATOM 346 O GLN A 57 36.344 -9.814 -16.292 1.00 0.00 O ATOM 347 CB GLN A 57 33.762 -8.438 -18.140 1.00 0.00 C ATOM 348 CG GLN A 57 34.885 -7.416 -18.354 1.00 0.00 C ATOM 349 CD GLN A 57 34.310 -6.077 -18.802 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.857 -5.287 -17.976 1.00 0.00 O ATOM 351 NE2 GLN A 57 34.327 -5.822 -20.110 1.00 0.00 N ATOM 0 H GLN A 57 32.301 -10.218 -17.409 1.00 0.00 H new ATOM 0 HA GLN A 57 34.998 -10.211 -18.330 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.243 -8.619 -19.081 1.00 0.00 H new ATOM 0 HB3 GLN A 57 33.027 -8.038 -17.442 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.447 -7.286 -17.429 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.585 -7.787 -19.103 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.713 -6.508 -20.758 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.954 -4.941 -20.463 1.00 0.00 H new ATOM 360 N ASN A 58 34.521 -8.931 -15.306 1.00 0.00 N ATOM 361 CA ASN A 58 35.207 -8.543 -14.077 1.00 0.00 C ATOM 362 C ASN A 58 35.382 -9.729 -13.129 1.00 0.00 C ATOM 363 O ASN A 58 36.268 -9.705 -12.277 1.00 0.00 O ATOM 364 CB ASN A 58 34.406 -7.429 -13.392 1.00 0.00 C ATOM 365 CG ASN A 58 34.264 -6.218 -14.310 1.00 0.00 C ATOM 366 OD1 ASN A 58 35.057 -5.284 -14.237 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.250 -6.236 -15.178 1.00 0.00 N ATOM 0 H ASN A 58 33.523 -8.720 -15.308 1.00 0.00 H new ATOM 0 HA ASN A 58 36.204 -8.185 -14.333 1.00 0.00 H new ATOM 0 HB2 ASN A 58 33.419 -7.801 -13.118 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.903 -7.134 -12.468 1.00 0.00 H new ATOM 0 HD21 ASN A 58 33.110 -5.452 -15.815 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.615 -7.034 -15.204 1.00 0.00 H new ATOM 374 N GLY A 59 34.540 -10.756 -13.266 1.00 0.00 N ATOM 375 CA GLY A 59 34.590 -11.918 -12.392 1.00 0.00 C ATOM 376 C GLY A 59 33.610 -11.730 -11.236 1.00 0.00 C ATOM 377 O GLY A 59 33.034 -10.651 -11.076 1.00 0.00 O ATOM 0 H GLY A 59 33.813 -10.801 -13.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 34.339 -12.819 -12.952 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.601 -12.053 -12.007 1.00 0.00 H new ATOM 381 N THR A 60 33.419 -12.777 -10.428 1.00 0.00 N ATOM 382 CA THR A 60 32.509 -12.723 -9.291 1.00 0.00 C ATOM 383 C THR A 60 33.209 -12.062 -8.098 1.00 0.00 C ATOM 384 O THR A 60 33.303 -12.651 -7.021 1.00 0.00 O ATOM 385 CB THR A 60 32.050 -14.148 -8.950 1.00 0.00 C ATOM 386 OG1 THR A 60 33.162 -15.019 -8.957 1.00 0.00 O ATOM 387 CG2 THR A 60 31.030 -14.622 -9.987 1.00 0.00 C ATOM 0 H THR A 60 33.888 -13.675 -10.545 1.00 0.00 H new ATOM 0 HA THR A 60 31.632 -12.124 -9.538 1.00 0.00 H new ATOM 0 HB THR A 60 31.592 -14.150 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 32.867 -15.927 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 60 30.706 -15.634 -9.743 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.169 -13.954 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.488 -14.617 -10.976 1.00 0.00 H new ATOM 395 N ASP A 61 33.697 -10.829 -8.299 1.00 0.00 N ATOM 396 CA ASP A 61 34.379 -10.077 -7.258 1.00 0.00 C ATOM 397 C ASP A 61 33.343 -9.247 -6.486 1.00 0.00 C ATOM 398 O ASP A 61 32.265 -9.753 -6.167 1.00 0.00 O ATOM 399 CB ASP A 61 35.456 -9.200 -7.917 1.00 0.00 C ATOM 400 CG ASP A 61 36.474 -8.711 -6.893 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.316 -9.540 -6.487 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.389 -7.517 -6.539 1.00 0.00 O ATOM 0 H ASP A 61 33.626 -10.334 -9.188 1.00 0.00 H new ATOM 0 HA ASP A 61 34.872 -10.737 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.964 -9.768 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.985 -8.345 -8.402 1.00 0.00 H new ATOM 407 N ASP A 62 33.655 -7.977 -6.191 1.00 0.00 N ATOM 408 CA ASP A 62 32.728 -7.105 -5.485 1.00 0.00 C ATOM 409 C ASP A 62 31.478 -6.892 -6.332 1.00 0.00 C ATOM 410 O ASP A 62 31.564 -6.457 -7.479 1.00 0.00 O ATOM 411 CB ASP A 62 33.400 -5.763 -5.161 1.00 0.00 C ATOM 412 CG ASP A 62 33.393 -5.504 -3.660 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.277 -5.298 -3.130 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.495 -5.514 -3.072 1.00 0.00 O ATOM 0 H ASP A 62 34.543 -7.538 -6.434 1.00 0.00 H new ATOM 0 HA ASP A 62 32.439 -7.575 -4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.426 -5.766 -5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.879 -4.956 -5.676 1.00 0.00 H new ATOM 419 N TRP A 63 30.316 -7.201 -5.760 1.00 0.00 N ATOM 420 CA TRP A 63 29.052 -7.051 -6.453 1.00 0.00 C ATOM 421 C TRP A 63 28.668 -5.576 -6.539 1.00 0.00 C ATOM 422 O TRP A 63 27.968 -5.173 -7.467 1.00 0.00 O ATOM 423 CB TRP A 63 27.990 -7.864 -5.719 1.00 0.00 C ATOM 424 CG TRP A 63 28.143 -9.338 -5.901 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.649 -10.198 -5.002 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.818 -10.144 -7.068 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.668 -11.477 -5.503 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.162 -11.504 -6.791 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.271 -9.866 -8.339 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.973 -12.527 -7.723 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.077 -10.894 -9.282 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.429 -12.221 -8.976 1.00 0.00 C ATOM 0 H TRP A 63 30.231 -7.560 -4.809 1.00 0.00 H new ATOM 0 HA TRP A 63 29.137 -7.424 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.034 -7.630 -4.655 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.004 -7.562 -6.071 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.995 -9.921 -4.017 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.008 -12.294 -4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.998 -8.852 -8.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.244 -13.544 -7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.654 -10.661 -10.248 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.280 -13.002 -9.706 1.00 0.00 H new ATOM 443 N LYS A 64 29.132 -4.766 -5.579 1.00 0.00 N ATOM 444 CA LYS A 64 28.844 -3.340 -5.575 1.00 0.00 C ATOM 445 C LYS A 64 29.424 -2.705 -6.840 1.00 0.00 C ATOM 446 O LYS A 64 28.814 -1.810 -7.420 1.00 0.00 O ATOM 447 CB LYS A 64 29.426 -2.704 -4.306 1.00 0.00 C ATOM 448 CG LYS A 64 28.437 -1.671 -3.747 1.00 0.00 C ATOM 449 CD LYS A 64 28.843 -1.271 -2.322 1.00 0.00 C ATOM 450 CE LYS A 64 28.368 -2.326 -1.309 1.00 0.00 C ATOM 451 NZ LYS A 64 26.900 -2.299 -1.144 1.00 0.00 N ATOM 0 H LYS A 64 29.708 -5.081 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 64 27.767 -3.171 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.624 -3.473 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.379 -2.225 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.417 -0.790 -4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 64 27.429 -2.086 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 64 29.926 -1.164 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.413 -0.301 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.679 -3.316 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.846 -2.148 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.624 -2.951 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.596 -1.334 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.445 -2.593 -2.032 1.00 0.00 H new ATOM 465 N VAL A 65 30.597 -3.192 -7.271 1.00 0.00 N ATOM 466 CA VAL A 65 31.246 -2.725 -8.491 1.00 0.00 C ATOM 467 C VAL A 65 30.269 -2.812 -9.667 1.00 0.00 C ATOM 468 O VAL A 65 30.262 -1.945 -10.538 1.00 0.00 O ATOM 469 CB VAL A 65 32.525 -3.577 -8.731 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.458 -4.372 -10.036 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.741 -2.680 -8.785 1.00 0.00 C ATOM 0 H VAL A 65 31.117 -3.919 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 65 31.541 -1.680 -8.394 1.00 0.00 H new ATOM 0 HB VAL A 65 32.595 -4.279 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.374 -4.950 -10.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 31.604 -5.048 -10.007 1.00 0.00 H new ATOM 0 HG13 VAL A 65 32.349 -3.685 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.632 -3.285 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.629 -1.964 -9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.840 -2.144 -7.841 1.00 0.00 H new ATOM 481 N ILE A 66 29.454 -3.867 -9.685 1.00 0.00 N ATOM 482 CA ILE A 66 28.509 -4.108 -10.760 1.00 0.00 C ATOM 483 C ILE A 66 27.227 -3.319 -10.512 1.00 0.00 C ATOM 484 O ILE A 66 26.597 -2.851 -11.459 1.00 0.00 O ATOM 485 CB ILE A 66 28.266 -5.620 -10.861 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.637 -6.314 -10.754 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.598 -5.948 -12.200 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.587 -7.760 -11.195 1.00 0.00 C ATOM 0 H ILE A 66 29.435 -4.575 -8.951 1.00 0.00 H new ATOM 0 HA ILE A 66 28.905 -3.764 -11.715 1.00 0.00 H new ATOM 0 HB ILE A 66 27.606 -5.965 -10.065 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.362 -5.776 -11.364 1.00 0.00 H new ATOM 0 HG13 ILE A 66 29.987 -6.263 -9.723 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.427 -7.022 -12.268 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.645 -5.424 -12.269 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.246 -5.631 -13.017 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.578 -8.204 -11.100 1.00 0.00 H new ATOM 0 HD12 ILE A 66 28.883 -8.307 -10.568 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.264 -7.812 -12.235 1.00 0.00 H new ATOM 500 N ALA A 67 26.849 -3.151 -9.239 1.00 0.00 N ATOM 501 CA ALA A 67 25.679 -2.363 -8.886 1.00 0.00 C ATOM 502 C ALA A 67 25.879 -0.919 -9.357 1.00 0.00 C ATOM 503 O ALA A 67 24.925 -0.255 -9.752 1.00 0.00 O ATOM 504 CB ALA A 67 25.461 -2.416 -7.374 1.00 0.00 C ATOM 0 H ALA A 67 27.342 -3.553 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 67 24.795 -2.771 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.584 -1.825 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.308 -3.450 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.336 -2.011 -6.866 1.00 0.00 H new ATOM 510 N ASN A 68 27.132 -0.437 -9.321 1.00 0.00 N ATOM 511 CA ASN A 68 27.456 0.909 -9.774 1.00 0.00 C ATOM 512 C ASN A 68 27.163 1.036 -11.270 1.00 0.00 C ATOM 513 O ASN A 68 26.729 2.090 -11.728 1.00 0.00 O ATOM 514 CB ASN A 68 28.937 1.215 -9.501 1.00 0.00 C ATOM 515 CG ASN A 68 29.287 1.105 -8.017 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.338 0.577 -7.666 1.00 0.00 O ATOM 517 ND2 ASN A 68 28.412 1.607 -7.145 1.00 0.00 N ATOM 0 H ASN A 68 27.934 -0.968 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 68 26.842 1.625 -9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.559 0.525 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.169 2.220 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 68 28.605 1.560 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 68 27.550 2.038 -7.478 1.00 0.00 H new ATOM 524 N TYR A 69 27.406 -0.042 -12.030 1.00 0.00 N ATOM 525 CA TYR A 69 27.185 -0.040 -13.470 1.00 0.00 C ATOM 526 C TYR A 69 25.699 -0.234 -13.776 1.00 0.00 C ATOM 527 O TYR A 69 25.202 0.297 -14.768 1.00 0.00 O ATOM 528 CB TYR A 69 28.013 -1.156 -14.122 1.00 0.00 C ATOM 529 CG TYR A 69 29.485 -1.159 -13.736 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.150 0.044 -13.415 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.192 -2.375 -13.707 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.511 0.021 -13.062 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.552 -2.393 -13.357 1.00 0.00 C ATOM 534 CZ TYR A 69 32.211 -1.197 -13.032 1.00 0.00 C ATOM 535 OH TYR A 69 33.530 -1.218 -12.690 1.00 0.00 O ATOM 0 H TYR A 69 27.757 -0.926 -11.662 1.00 0.00 H new ATOM 0 HA TYR A 69 27.500 0.920 -13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.578 -2.118 -13.852 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.935 -1.063 -15.205 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.614 0.981 -13.440 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.687 -3.297 -13.955 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.019 0.941 -12.814 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.092 -3.328 -13.338 1.00 0.00 H new ATOM 0 HH TYR A 69 33.861 -2.140 -12.718 1.00 0.00 H new ATOM 545 N LEU A 70 24.995 -0.997 -12.924 1.00 0.00 N ATOM 546 CA LEU A 70 23.571 -1.262 -13.098 1.00 0.00 C ATOM 547 C LEU A 70 22.787 -0.670 -11.920 1.00 0.00 C ATOM 548 O LEU A 70 22.577 -1.358 -10.921 1.00 0.00 O ATOM 549 CB LEU A 70 23.342 -2.781 -13.175 1.00 0.00 C ATOM 550 CG LEU A 70 24.035 -3.381 -14.410 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.885 -4.904 -14.376 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.395 -2.840 -15.694 1.00 0.00 C ATOM 0 H LEU A 70 25.401 -1.442 -12.101 1.00 0.00 H new ATOM 0 HA LEU A 70 23.222 -0.799 -14.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.725 -3.256 -12.272 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.273 -2.990 -13.216 1.00 0.00 H new ATOM 0 HG LEU A 70 25.090 -3.106 -14.397 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.374 -5.337 -15.249 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.347 -5.295 -13.470 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.827 -5.166 -14.386 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.895 -3.273 -16.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.338 -3.107 -15.714 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.496 -1.755 -15.722 1.00 0.00 H new ATOM 564 N PRO A 71 22.342 0.604 -12.024 1.00 0.00 N ATOM 565 CA PRO A 71 21.578 1.247 -10.973 1.00 0.00 C ATOM 566 C PRO A 71 20.329 0.429 -10.646 1.00 0.00 C ATOM 567 O PRO A 71 19.854 -0.338 -11.483 1.00 0.00 O ATOM 568 CB PRO A 71 21.218 2.639 -11.502 1.00 0.00 C ATOM 569 CG PRO A 71 21.909 2.791 -12.863 1.00 0.00 C ATOM 570 CD PRO A 71 22.572 1.449 -13.178 1.00 0.00 C ATOM 0 HA PRO A 71 22.146 1.323 -10.046 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.138 2.746 -11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.552 3.413 -10.811 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.187 3.055 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.650 3.590 -12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.144 1.005 -14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.639 1.575 -13.361 1.00 0.00 H new ATOM 578 N ASN A 72 19.807 0.590 -9.416 1.00 0.00 N ATOM 579 CA ASN A 72 18.629 -0.146 -8.938 1.00 0.00 C ATOM 580 C ASN A 72 18.998 -1.600 -8.607 1.00 0.00 C ATOM 581 O ASN A 72 18.510 -2.148 -7.619 1.00 0.00 O ATOM 582 CB ASN A 72 17.479 -0.082 -9.965 1.00 0.00 C ATOM 583 CG ASN A 72 16.235 0.542 -9.345 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.327 -0.167 -8.922 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.194 1.874 -9.293 1.00 0.00 N ATOM 0 H ASN A 72 20.193 1.236 -8.727 1.00 0.00 H new ATOM 0 HA ASN A 72 18.279 0.331 -8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.791 0.501 -10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.248 -1.085 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.384 2.344 -8.889 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.973 2.423 -9.657 1.00 0.00 H new ATOM 592 N ARG A 73 19.861 -2.222 -9.422 1.00 0.00 N ATOM 593 CA ARG A 73 20.294 -3.589 -9.191 1.00 0.00 C ATOM 594 C ARG A 73 21.381 -3.586 -8.115 1.00 0.00 C ATOM 595 O ARG A 73 22.568 -3.628 -8.427 1.00 0.00 O ATOM 596 CB ARG A 73 20.825 -4.202 -10.501 1.00 0.00 C ATOM 597 CG ARG A 73 19.859 -3.944 -11.668 1.00 0.00 C ATOM 598 CD ARG A 73 18.487 -4.547 -11.368 1.00 0.00 C ATOM 599 NE ARG A 73 17.654 -4.544 -12.574 1.00 0.00 N ATOM 600 CZ ARG A 73 16.538 -5.279 -12.707 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.078 -6.008 -11.682 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.890 -5.277 -13.875 1.00 0.00 N ATOM 0 H ARG A 73 20.270 -1.789 -10.250 1.00 0.00 H new ATOM 0 HA ARG A 73 19.453 -4.194 -8.852 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.802 -3.778 -10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.965 -5.275 -10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.763 -2.872 -11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.261 -4.377 -12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.603 -5.567 -11.001 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.997 -3.978 -10.578 1.00 0.00 H new ATOM 0 HE ARG A 73 17.937 -3.952 -13.354 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.576 -6.008 -10.792 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.230 -6.563 -11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.244 -4.721 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.041 -5.831 -13.988 1.00 0.00 H new ATOM 616 N THR A 74 20.967 -3.531 -6.843 1.00 0.00 N ATOM 617 CA THR A 74 21.902 -3.510 -5.722 1.00 0.00 C ATOM 618 C THR A 74 22.798 -4.750 -5.753 1.00 0.00 C ATOM 619 O THR A 74 22.482 -5.734 -6.418 1.00 0.00 O ATOM 620 CB THR A 74 21.123 -3.449 -4.401 1.00 0.00 C ATOM 621 OG1 THR A 74 20.232 -4.542 -4.323 1.00 0.00 O ATOM 622 CG2 THR A 74 20.335 -2.139 -4.319 1.00 0.00 C ATOM 0 H THR A 74 19.985 -3.500 -6.568 1.00 0.00 H new ATOM 0 HA THR A 74 22.535 -2.626 -5.804 1.00 0.00 H new ATOM 0 HB THR A 74 21.828 -3.495 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.737 -4.501 -3.478 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.785 -2.104 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 74 21.024 -1.296 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.634 -2.083 -5.152 1.00 0.00 H new ATOM 630 N ASP A 75 23.918 -4.694 -5.024 1.00 0.00 N ATOM 631 CA ASP A 75 24.862 -5.803 -4.954 1.00 0.00 C ATOM 632 C ASP A 75 24.147 -7.081 -4.516 1.00 0.00 C ATOM 633 O ASP A 75 24.369 -8.141 -5.098 1.00 0.00 O ATOM 634 CB ASP A 75 26.001 -5.456 -3.984 1.00 0.00 C ATOM 635 CG ASP A 75 25.502 -4.675 -2.774 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.259 -3.458 -2.946 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.377 -5.299 -1.703 1.00 0.00 O ATOM 0 H ASP A 75 24.190 -3.881 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 75 25.287 -5.974 -5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.484 -6.374 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.757 -4.870 -4.507 1.00 0.00 H new ATOM 642 N VAL A 76 23.288 -6.980 -3.497 1.00 0.00 N ATOM 643 CA VAL A 76 22.541 -8.128 -3.001 1.00 0.00 C ATOM 644 C VAL A 76 21.664 -8.696 -4.118 1.00 0.00 C ATOM 645 O VAL A 76 21.620 -9.909 -4.316 1.00 0.00 O ATOM 646 CB VAL A 76 21.683 -7.702 -1.797 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.892 -8.906 -1.274 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.584 -7.166 -0.680 1.00 0.00 C ATOM 0 H VAL A 76 23.096 -6.109 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 76 23.234 -8.905 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 76 20.992 -6.920 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.286 -8.600 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.243 -9.286 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.584 -9.689 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.971 -6.866 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.280 -7.945 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.144 -6.305 -1.046 1.00 0.00 H new ATOM 658 N GLN A 77 20.964 -7.815 -4.845 1.00 0.00 N ATOM 659 CA GLN A 77 20.077 -8.229 -5.922 1.00 0.00 C ATOM 660 C GLN A 77 20.874 -8.913 -7.038 1.00 0.00 C ATOM 661 O GLN A 77 20.457 -9.950 -7.545 1.00 0.00 O ATOM 662 CB GLN A 77 19.327 -7.005 -6.456 1.00 0.00 C ATOM 663 CG GLN A 77 18.125 -7.457 -7.290 1.00 0.00 C ATOM 664 CD GLN A 77 17.441 -6.269 -7.958 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.182 -6.296 -9.157 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.148 -5.225 -7.183 1.00 0.00 N ATOM 0 H GLN A 77 21.001 -6.806 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 77 19.353 -8.950 -5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.992 -6.382 -5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.995 -6.395 -7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.452 -8.166 -8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.412 -7.979 -6.652 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.382 -5.245 -6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.690 -4.406 -7.583 1.00 0.00 H new ATOM 675 N CYS A 78 22.020 -8.330 -7.417 1.00 0.00 N ATOM 676 CA CYS A 78 22.864 -8.888 -8.468 1.00 0.00 C ATOM 677 C CYS A 78 23.364 -10.267 -8.049 1.00 0.00 C ATOM 678 O CYS A 78 23.281 -11.222 -8.822 1.00 0.00 O ATOM 679 CB CYS A 78 24.049 -7.952 -8.732 1.00 0.00 C ATOM 680 SG CYS A 78 23.459 -6.468 -9.582 1.00 0.00 S ATOM 0 H CYS A 78 22.380 -7.469 -7.006 1.00 0.00 H new ATOM 0 HA CYS A 78 22.282 -8.987 -9.384 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.529 -7.680 -7.792 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.800 -8.459 -9.339 1.00 0.00 H new ATOM 0 HG CYS A 78 23.207 -5.539 -8.708 1.00 0.00 H new ATOM 686 N GLN A 79 23.883 -10.366 -6.819 1.00 0.00 N ATOM 687 CA GLN A 79 24.392 -11.617 -6.287 1.00 0.00 C ATOM 688 C GLN A 79 23.298 -12.680 -6.337 1.00 0.00 C ATOM 689 O GLN A 79 23.502 -13.747 -6.908 1.00 0.00 O ATOM 690 CB GLN A 79 24.876 -11.393 -4.850 1.00 0.00 C ATOM 691 CG GLN A 79 25.539 -12.667 -4.315 1.00 0.00 C ATOM 692 CD GLN A 79 25.977 -12.492 -2.864 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.657 -13.318 -2.015 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.711 -11.415 -2.580 1.00 0.00 N ATOM 0 H GLN A 79 23.958 -9.579 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 79 25.232 -11.965 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.584 -10.565 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.036 -11.116 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.842 -13.502 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.403 -12.917 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.954 -10.754 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.030 -11.252 -1.625 1.00 0.00 H new ATOM 703 N HIS A 80 22.138 -12.380 -5.739 1.00 0.00 N ATOM 704 CA HIS A 80 21.014 -13.304 -5.714 1.00 0.00 C ATOM 705 C HIS A 80 20.645 -13.727 -7.131 1.00 0.00 C ATOM 706 O HIS A 80 20.552 -14.916 -7.415 1.00 0.00 O ATOM 707 CB HIS A 80 19.810 -12.632 -5.038 1.00 0.00 C ATOM 708 CG HIS A 80 19.715 -12.916 -3.561 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.652 -12.468 -2.786 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.520 -13.607 -2.687 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.871 -12.906 -1.532 1.00 0.00 C ATOM 712 NE2 HIS A 80 19.994 -13.614 -1.403 1.00 0.00 N ATOM 0 H HIS A 80 21.960 -11.495 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 80 21.297 -14.192 -5.148 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.873 -11.554 -5.190 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.895 -12.970 -5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.447 -14.085 -2.965 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.201 -12.703 -0.709 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.374 -14.054 -0.565 1.00 0.00 H new ATOM 720 N ARG A 81 20.426 -12.754 -8.015 1.00 0.00 N ATOM 721 CA ARG A 81 20.024 -13.036 -9.380 1.00 0.00 C ATOM 722 C ARG A 81 20.987 -14.028 -10.028 1.00 0.00 C ATOM 723 O ARG A 81 20.551 -15.010 -10.613 1.00 0.00 O ATOM 724 CB ARG A 81 19.965 -11.729 -10.182 1.00 0.00 C ATOM 725 CG ARG A 81 19.567 -12.012 -11.641 1.00 0.00 C ATOM 726 CD ARG A 81 18.194 -12.695 -11.694 1.00 0.00 C ATOM 727 NE ARG A 81 17.679 -12.730 -13.066 1.00 0.00 N ATOM 728 CZ ARG A 81 16.517 -13.315 -13.400 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.769 -13.911 -12.460 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.102 -13.300 -14.673 1.00 0.00 N ATOM 0 H ARG A 81 20.523 -11.761 -7.802 1.00 0.00 H new ATOM 0 HA ARG A 81 19.032 -13.488 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.245 -11.048 -9.728 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.935 -11.233 -10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.539 -11.080 -12.205 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.316 -12.648 -12.113 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.273 -13.710 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.493 -12.162 -11.052 1.00 0.00 H new ATOM 0 HE ARG A 81 18.230 -12.289 -13.803 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.082 -13.921 -11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.887 -14.355 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.668 -12.844 -15.389 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.220 -13.744 -14.927 1.00 0.00 H new ATOM 744 N TRP A 82 22.292 -13.775 -9.938 1.00 0.00 N ATOM 745 CA TRP A 82 23.266 -14.641 -10.573 1.00 0.00 C ATOM 746 C TRP A 82 23.404 -15.974 -9.829 1.00 0.00 C ATOM 747 O TRP A 82 23.070 -17.024 -10.372 1.00 0.00 O ATOM 748 CB TRP A 82 24.622 -13.943 -10.657 1.00 0.00 C ATOM 749 CG TRP A 82 25.666 -14.785 -11.318 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.596 -15.520 -10.688 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.871 -15.037 -12.739 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.360 -16.220 -11.586 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.953 -15.962 -12.881 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.248 -14.594 -13.929 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.384 -16.424 -14.126 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.683 -15.058 -15.188 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.744 -15.974 -15.284 1.00 0.00 C ATOM 0 H TRP A 82 22.690 -12.982 -9.434 1.00 0.00 H new ATOM 0 HA TRP A 82 22.911 -14.855 -11.581 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.512 -13.009 -11.209 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.954 -13.682 -9.652 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.725 -15.555 -9.616 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.125 -16.846 -11.333 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.429 -13.892 -13.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.205 -17.123 -14.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.196 -14.706 -16.086 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.065 -16.330 -16.252 1.00 0.00 H new ATOM 768 N GLN A 83 23.921 -15.925 -8.598 1.00 0.00 N ATOM 769 CA GLN A 83 24.218 -17.123 -7.817 1.00 0.00 C ATOM 770 C GLN A 83 22.998 -18.029 -7.641 1.00 0.00 C ATOM 771 O GLN A 83 23.153 -19.246 -7.566 1.00 0.00 O ATOM 772 CB GLN A 83 24.760 -16.707 -6.441 1.00 0.00 C ATOM 773 CG GLN A 83 26.158 -16.087 -6.583 1.00 0.00 C ATOM 774 CD GLN A 83 27.189 -17.131 -7.014 1.00 0.00 C ATOM 775 OE1 GLN A 83 26.983 -18.326 -6.830 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.302 -16.677 -7.590 1.00 0.00 N ATOM 0 H GLN A 83 24.144 -15.053 -8.118 1.00 0.00 H new ATOM 0 HA GLN A 83 24.965 -17.698 -8.365 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.082 -15.990 -5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.805 -17.575 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.127 -15.280 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.460 -15.645 -5.633 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.434 -15.675 -7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.021 -17.332 -7.896 1.00 0.00 H new ATOM 785 N LYS A 84 21.795 -17.451 -7.549 1.00 0.00 N ATOM 786 CA LYS A 84 20.592 -18.228 -7.272 1.00 0.00 C ATOM 787 C LYS A 84 19.804 -18.576 -8.546 1.00 0.00 C ATOM 788 O LYS A 84 18.754 -19.207 -8.441 1.00 0.00 O ATOM 789 CB LYS A 84 19.720 -17.435 -6.287 1.00 0.00 C ATOM 790 CG LYS A 84 19.043 -18.390 -5.297 1.00 0.00 C ATOM 791 CD LYS A 84 18.199 -17.597 -4.288 1.00 0.00 C ATOM 792 CE LYS A 84 19.100 -16.679 -3.450 1.00 0.00 C ATOM 793 NZ LYS A 84 18.395 -16.186 -2.252 1.00 0.00 N ATOM 0 H LYS A 84 21.634 -16.450 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 84 20.888 -19.182 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.332 -16.713 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.965 -16.868 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.411 -19.096 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.797 -18.975 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.452 -17.003 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.659 -18.283 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 84 19.997 -17.221 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.426 -15.834 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.998 -15.503 -1.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.509 -15.722 -2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.180 -16.985 -1.622 1.00 0.00 H new ATOM 807 N VAL A 85 20.286 -18.181 -9.747 1.00 0.00 N ATOM 808 CA VAL A 85 19.566 -18.492 -10.989 1.00 0.00 C ATOM 809 C VAL A 85 20.541 -18.849 -12.120 1.00 0.00 C ATOM 810 O VAL A 85 20.573 -19.996 -12.561 1.00 0.00 O ATOM 811 CB VAL A 85 18.662 -17.309 -11.406 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.684 -17.774 -12.489 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.865 -16.784 -10.203 1.00 0.00 C ATOM 0 H VAL A 85 21.152 -17.658 -9.875 1.00 0.00 H new ATOM 0 HA VAL A 85 18.935 -19.361 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 85 19.294 -16.507 -11.788 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.046 -16.941 -12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.242 -18.129 -13.355 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.067 -18.584 -12.099 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.236 -15.952 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.239 -17.582 -9.805 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.554 -16.444 -9.430 1.00 0.00 H new ATOM 823 N LEU A 86 21.320 -17.868 -12.605 1.00 0.00 N ATOM 824 CA LEU A 86 22.233 -18.086 -13.729 1.00 0.00 C ATOM 825 C LEU A 86 23.282 -19.134 -13.375 1.00 0.00 C ATOM 826 O LEU A 86 23.425 -20.124 -14.087 1.00 0.00 O ATOM 827 CB LEU A 86 22.942 -16.773 -14.106 1.00 0.00 C ATOM 828 CG LEU A 86 22.051 -15.842 -14.956 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.547 -16.566 -16.209 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.867 -15.336 -14.133 1.00 0.00 C ATOM 0 H LEU A 86 21.333 -16.918 -12.233 1.00 0.00 H new ATOM 0 HA LEU A 86 21.644 -18.439 -14.576 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.242 -16.252 -13.197 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.853 -17.002 -14.658 1.00 0.00 H new ATOM 0 HG LEU A 86 22.654 -14.989 -15.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.921 -15.891 -16.793 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.397 -16.885 -16.812 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.963 -17.438 -15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.250 -14.681 -14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.271 -16.183 -13.794 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.235 -14.782 -13.269 1.00 0.00 H new ATOM 842 N ASN A 87 24.023 -18.889 -12.282 1.00 0.00 N ATOM 843 CA ASN A 87 25.106 -19.760 -11.831 1.00 0.00 C ATOM 844 C ASN A 87 24.734 -21.242 -11.994 1.00 0.00 C ATOM 845 O ASN A 87 23.911 -21.750 -11.234 1.00 0.00 O ATOM 846 CB ASN A 87 25.401 -19.446 -10.363 1.00 0.00 C ATOM 847 CG ASN A 87 26.407 -20.432 -9.775 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.345 -20.844 -10.453 1.00 0.00 O ATOM 849 ND2 ASN A 87 26.207 -20.809 -8.513 1.00 0.00 N ATOM 0 H ASN A 87 23.881 -18.073 -11.686 1.00 0.00 H new ATOM 0 HA ASN A 87 25.991 -19.577 -12.441 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.790 -18.432 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.475 -19.482 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 87 26.848 -21.467 -8.070 1.00 0.00 H new ATOM 0 HD22 ASN A 87 25.413 -20.439 -7.990 1.00 0.00 H new ATOM 856 N PRO A 88 25.342 -21.942 -12.981 1.00 0.00 N ATOM 857 CA PRO A 88 25.082 -23.347 -13.210 1.00 0.00 C ATOM 858 C PRO A 88 25.691 -24.176 -12.076 1.00 0.00 C ATOM 859 O PRO A 88 26.824 -24.645 -12.182 1.00 0.00 O ATOM 860 CB PRO A 88 25.727 -23.668 -14.565 1.00 0.00 C ATOM 861 CG PRO A 88 26.646 -22.487 -14.900 1.00 0.00 C ATOM 862 CD PRO A 88 26.302 -21.371 -13.911 1.00 0.00 C ATOM 0 HA PRO A 88 24.018 -23.582 -13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 88 26.293 -24.598 -14.515 1.00 0.00 H new ATOM 0 HB3 PRO A 88 24.967 -23.799 -15.335 1.00 0.00 H new ATOM 0 HG2 PRO A 88 27.694 -22.774 -14.811 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.492 -22.156 -15.927 1.00 0.00 H new ATOM 0 HD2 PRO A 88 27.193 -21.025 -13.388 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.880 -20.509 -14.427 1.00 0.00 H new ATOM 870 N GLU A 89 24.934 -24.345 -10.987 1.00 0.00 N ATOM 871 CA GLU A 89 25.392 -25.092 -9.828 1.00 0.00 C ATOM 872 C GLU A 89 24.193 -25.727 -9.128 1.00 0.00 C ATOM 873 O GLU A 89 23.102 -25.160 -9.122 1.00 0.00 O ATOM 874 CB GLU A 89 26.137 -24.135 -8.890 1.00 0.00 C ATOM 875 CG GLU A 89 26.838 -24.920 -7.777 1.00 0.00 C ATOM 876 CD GLU A 89 27.746 -24.011 -6.952 1.00 0.00 C ATOM 877 OE1 GLU A 89 27.615 -22.775 -7.108 1.00 0.00 O ATOM 878 OE2 GLU A 89 28.554 -24.570 -6.179 1.00 0.00 O ATOM 0 H GLU A 89 23.992 -23.967 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 89 26.071 -25.890 -10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 89 26.870 -23.558 -9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 89 25.436 -23.422 -8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 89 26.093 -25.381 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 89 27.426 -25.728 -8.212 1.00 0.00 H new HETATM 885 N NH2 A 90 24.395 -26.906 -8.541 1.00 0.00 N TER 888 NH2 A 90