USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 356 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -108:sc= -0.547 (180deg=-2.21!) USER MOD Single : A 2 GLN : amide:sc= -3.44! C(o=-3.4!,f=-6.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.3 K(o=-1.3,f=-5.9!) USER MOD Single : A 9 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.013) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.113 (180deg=-0.645) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.0303 (180deg=-0.312) USER MOD Single : A 20 ASN : amide:sc= -3.23! C(o=-3.2!,f=-6.3!) USER MOD Single : A 27 GLN :FLIP amide:sc= 0.726 F(o=-0.98,f=0.73) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HE2:sc= 0.0109 X(o=0.011,f=-0.3) USER MOD Single : A 33 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.4) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 21.713 -11.059 -18.668 1.00 0.00 N ATOM 2 CA ARG A 1 22.808 -10.888 -17.730 1.00 0.00 C ATOM 3 C ARG A 1 22.305 -10.240 -16.438 1.00 0.00 C ATOM 4 O ARG A 1 21.121 -9.929 -16.316 1.00 0.00 O ATOM 5 CB ARG A 1 23.918 -10.020 -18.329 1.00 0.00 C ATOM 6 CG ARG A 1 25.051 -10.884 -18.885 1.00 0.00 C ATOM 7 CD ARG A 1 25.844 -10.129 -19.952 1.00 0.00 C ATOM 8 NE ARG A 1 26.957 -10.970 -20.446 1.00 0.00 N ATOM 9 CZ ARG A 1 27.597 -10.767 -21.618 1.00 0.00 C ATOM 10 NH1 ARG A 1 27.239 -9.747 -22.427 1.00 0.00 N ATOM 11 NH2 ARG A 1 28.578 -11.581 -21.960 1.00 0.00 N ATOM 0 H1 ARG A 1 21.469 -12.068 -18.736 1.00 0.00 H new ATOM 0 H2 ARG A 1 20.885 -10.524 -18.336 1.00 0.00 H new ATOM 0 H3 ARG A 1 22.000 -10.708 -19.604 1.00 0.00 H new ATOM 0 HA ARG A 1 23.213 -11.876 -17.511 1.00 0.00 H new ATOM 0 HB2 ARG A 1 23.508 -9.397 -19.124 1.00 0.00 H new ATOM 0 HB3 ARG A 1 24.310 -9.347 -17.566 1.00 0.00 H new ATOM 0 HG2 ARG A 1 25.717 -11.182 -18.075 1.00 0.00 H new ATOM 0 HG3 ARG A 1 24.640 -11.799 -19.312 1.00 0.00 H new ATOM 0 HD2 ARG A 1 25.188 -9.857 -20.779 1.00 0.00 H new ATOM 0 HD3 ARG A 1 26.236 -9.200 -19.537 1.00 0.00 H new ATOM 0 HE ARG A 1 27.260 -11.752 -19.865 1.00 0.00 H new ATOM 0 HH11 ARG A 1 26.480 -9.122 -22.155 1.00 0.00 H new ATOM 0 HH12 ARG A 1 27.728 -9.601 -23.310 1.00 0.00 H new ATOM 0 HH21 ARG A 1 28.842 -12.349 -21.343 1.00 0.00 H new ATOM 0 HH22 ARG A 1 29.072 -11.442 -22.842 1.00 0.00 H new ATOM 24 N GLN A 2 23.230 -10.055 -15.507 1.00 0.00 N ATOM 25 CA GLN A 2 22.894 -9.450 -14.229 1.00 0.00 C ATOM 26 C GLN A 2 22.906 -7.925 -14.346 1.00 0.00 C ATOM 27 O GLN A 2 23.481 -7.239 -13.502 1.00 0.00 O ATOM 28 CB GLN A 2 23.849 -9.924 -13.132 1.00 0.00 C ATOM 29 CG GLN A 2 25.292 -9.529 -13.451 1.00 0.00 C ATOM 30 CD GLN A 2 26.104 -9.332 -12.170 1.00 0.00 C ATOM 31 OE1 GLN A 2 25.630 -9.543 -11.066 1.00 0.00 O ATOM 32 NE2 GLN A 2 27.350 -8.914 -12.377 1.00 0.00 N ATOM 0 H GLN A 2 24.211 -10.313 -15.612 1.00 0.00 H new ATOM 0 HA GLN A 2 21.888 -9.766 -13.951 1.00 0.00 H new ATOM 0 HB2 GLN A 2 23.553 -9.492 -12.176 1.00 0.00 H new ATOM 0 HB3 GLN A 2 23.779 -11.007 -13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.757 -10.301 -14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.300 -8.609 -14.036 1.00 0.00 H new ATOM 0 HE21 GLN A 2 27.684 -8.757 -13.328 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.971 -8.751 -11.585 1.00 0.00 H new ATOM 41 N ILE A 3 22.264 -7.438 -15.398 1.00 0.00 N ATOM 42 CA ILE A 3 22.194 -6.006 -15.635 1.00 0.00 C ATOM 43 C ILE A 3 20.879 -5.465 -15.070 1.00 0.00 C ATOM 44 O ILE A 3 20.562 -4.290 -15.246 1.00 0.00 O ATOM 45 CB ILE A 3 22.398 -5.699 -17.119 1.00 0.00 C ATOM 46 CG1 ILE A 3 22.823 -6.953 -17.887 1.00 0.00 C ATOM 47 CG2 ILE A 3 23.387 -4.548 -17.310 1.00 0.00 C ATOM 48 CD1 ILE A 3 21.603 -7.741 -18.368 1.00 0.00 C ATOM 0 H ILE A 3 21.788 -8.010 -16.096 1.00 0.00 H new ATOM 0 HA ILE A 3 23.001 -5.492 -15.113 1.00 0.00 H new ATOM 0 HB ILE A 3 21.443 -5.376 -17.534 1.00 0.00 H new ATOM 0 HG12 ILE A 3 23.437 -6.670 -18.742 1.00 0.00 H new ATOM 0 HG13 ILE A 3 23.439 -7.585 -17.247 1.00 0.00 H new ATOM 0 HG21 ILE A 3 23.514 -4.350 -18.374 1.00 0.00 H new ATOM 0 HG22 ILE A 3 23.004 -3.654 -16.818 1.00 0.00 H new ATOM 0 HG23 ILE A 3 24.349 -4.818 -16.874 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.933 -8.627 -18.911 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.004 -8.044 -17.509 1.00 0.00 H new ATOM 0 HD13 ILE A 3 21.002 -7.115 -19.027 1.00 0.00 H new ATOM 60 N LYS A 4 20.150 -6.348 -14.404 1.00 0.00 N ATOM 61 CA LYS A 4 18.877 -5.973 -13.812 1.00 0.00 C ATOM 62 C LYS A 4 19.081 -5.666 -12.327 1.00 0.00 C ATOM 63 O LYS A 4 18.113 -5.486 -11.588 1.00 0.00 O ATOM 64 CB LYS A 4 17.824 -7.050 -14.079 1.00 0.00 C ATOM 65 CG LYS A 4 17.816 -8.098 -12.963 1.00 0.00 C ATOM 66 CD LYS A 4 16.680 -9.102 -13.163 1.00 0.00 C ATOM 67 CE LYS A 4 17.196 -10.540 -13.073 1.00 0.00 C ATOM 68 NZ LYS A 4 16.238 -11.475 -13.704 1.00 0.00 N ATOM 0 H LYS A 4 20.416 -7.322 -14.261 1.00 0.00 H new ATOM 0 HA LYS A 4 18.494 -5.064 -14.276 1.00 0.00 H new ATOM 0 HB2 LYS A 4 16.839 -6.589 -14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.027 -7.533 -15.035 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.771 -8.623 -12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.705 -7.605 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.910 -8.940 -12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.213 -8.940 -14.135 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.165 -10.616 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.346 -10.814 -12.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.604 -12.446 -13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.321 -11.414 -13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.115 -11.223 -14.705 1.00 0.00 H new ATOM 81 N ILE A 5 20.345 -5.617 -11.933 1.00 0.00 N ATOM 82 CA ILE A 5 20.687 -5.336 -10.549 1.00 0.00 C ATOM 83 C ILE A 5 20.106 -3.978 -10.150 1.00 0.00 C ATOM 84 O ILE A 5 18.976 -3.899 -9.671 1.00 0.00 O ATOM 85 CB ILE A 5 22.199 -5.444 -10.339 1.00 0.00 C ATOM 86 CG1 ILE A 5 22.704 -6.843 -10.697 1.00 0.00 C ATOM 87 CG2 ILE A 5 22.584 -5.043 -8.913 1.00 0.00 C ATOM 88 CD1 ILE A 5 24.233 -6.879 -10.742 1.00 0.00 C ATOM 0 H ILE A 5 21.145 -5.767 -12.548 1.00 0.00 H new ATOM 0 HA ILE A 5 20.242 -6.080 -9.888 1.00 0.00 H new ATOM 0 HB ILE A 5 22.689 -4.743 -11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 5 22.341 -7.563 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.301 -7.143 -11.664 1.00 0.00 H new ATOM 0 HG21 ILE A 5 23.664 -5.129 -8.790 1.00 0.00 H new ATOM 0 HG22 ILE A 5 22.278 -4.013 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 5 22.085 -5.702 -8.202 1.00 0.00 H new ATOM 0 HD11 ILE A 5 24.566 -7.885 -10.999 1.00 0.00 H new ATOM 0 HD12 ILE A 5 24.592 -6.175 -11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.632 -6.603 -9.766 1.00 0.00 H new ATOM 100 N TRP A 6 20.906 -2.942 -10.364 1.00 0.00 N ATOM 101 CA TRP A 6 20.484 -1.592 -10.033 1.00 0.00 C ATOM 102 C TRP A 6 19.449 -1.152 -11.069 1.00 0.00 C ATOM 103 O TRP A 6 19.490 -1.588 -12.219 1.00 0.00 O ATOM 104 CB TRP A 6 21.686 -0.648 -9.952 1.00 0.00 C ATOM 105 CG TRP A 6 22.972 -1.318 -9.465 1.00 0.00 C ATOM 106 CD1 TRP A 6 23.526 -1.255 -8.247 1.00 0.00 C ATOM 107 CD2 TRP A 6 23.849 -2.161 -10.243 1.00 0.00 C ATOM 108 NE1 TRP A 6 24.691 -1.993 -8.182 1.00 0.00 N ATOM 109 CE2 TRP A 6 24.893 -2.562 -9.434 1.00 0.00 C ATOM 110 CE3 TRP A 6 23.762 -2.573 -11.584 1.00 0.00 C ATOM 111 CZ2 TRP A 6 25.930 -3.393 -9.876 1.00 0.00 C ATOM 112 CZ3 TRP A 6 24.806 -3.402 -12.011 1.00 0.00 C ATOM 113 CH2 TRP A 6 25.864 -3.814 -11.209 1.00 0.00 C ATOM 0 H TRP A 6 21.843 -3.011 -10.762 1.00 0.00 H new ATOM 0 HA TRP A 6 20.022 -1.563 -9.046 1.00 0.00 H new ATOM 0 HB2 TRP A 6 21.864 -0.217 -10.937 1.00 0.00 H new ATOM 0 HB3 TRP A 6 21.442 0.177 -9.283 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.113 -0.697 -7.420 1.00 0.00 H new ATOM 0 HE1 TRP A 6 25.293 -2.101 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 6 22.953 -2.273 -12.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 26.737 -3.693 -9.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 24.788 -3.745 -13.035 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.632 -4.457 -11.613 1.00 0.00 H new ATOM 124 N PHE A 7 18.542 -0.294 -10.625 1.00 0.00 N ATOM 125 CA PHE A 7 17.497 0.210 -11.500 1.00 0.00 C ATOM 126 C PHE A 7 16.408 -0.844 -11.716 1.00 0.00 C ATOM 127 O PHE A 7 15.384 -0.564 -12.338 1.00 0.00 O ATOM 128 CB PHE A 7 18.154 0.531 -12.843 1.00 0.00 C ATOM 129 CG PHE A 7 17.550 1.743 -13.557 1.00 0.00 C ATOM 130 CD1 PHE A 7 16.476 1.583 -14.375 1.00 0.00 C ATOM 131 CD2 PHE A 7 18.088 2.979 -13.374 1.00 0.00 C ATOM 132 CE1 PHE A 7 15.915 2.707 -15.038 1.00 0.00 C ATOM 133 CE2 PHE A 7 17.528 4.103 -14.037 1.00 0.00 C ATOM 134 CZ PHE A 7 16.453 3.943 -14.855 1.00 0.00 C ATOM 0 H PHE A 7 18.509 0.065 -9.671 1.00 0.00 H new ATOM 0 HA PHE A 7 17.031 1.089 -11.055 1.00 0.00 H new ATOM 0 HB2 PHE A 7 19.217 0.709 -12.682 1.00 0.00 H new ATOM 0 HB3 PHE A 7 18.072 -0.340 -13.494 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.049 0.602 -14.521 1.00 0.00 H new ATOM 0 HD2 PHE A 7 18.941 3.105 -12.724 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.061 2.580 -15.687 1.00 0.00 H new ATOM 0 HE2 PHE A 7 17.955 5.084 -13.892 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.026 4.797 -15.359 1.00 0.00 H new ATOM 144 N GLN A 8 16.668 -2.033 -11.193 1.00 0.00 N ATOM 145 CA GLN A 8 15.723 -3.129 -11.321 1.00 0.00 C ATOM 146 C GLN A 8 15.625 -3.902 -10.004 1.00 0.00 C ATOM 147 O GLN A 8 15.041 -4.983 -9.957 1.00 0.00 O ATOM 148 CB GLN A 8 16.115 -4.057 -12.473 1.00 0.00 C ATOM 149 CG GLN A 8 15.220 -3.823 -13.693 1.00 0.00 C ATOM 150 CD GLN A 8 16.057 -3.523 -14.937 1.00 0.00 C ATOM 151 OE1 GLN A 8 16.788 -4.360 -15.442 1.00 0.00 O ATOM 152 NE2 GLN A 8 15.911 -2.286 -15.403 1.00 0.00 N ATOM 0 H GLN A 8 17.519 -2.261 -10.680 1.00 0.00 H new ATOM 0 HA GLN A 8 14.742 -2.713 -11.549 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.157 -3.887 -12.744 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.035 -5.096 -12.152 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.602 -4.704 -13.870 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.542 -2.992 -13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.283 -1.635 -14.933 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.427 -1.989 -16.231 1.00 0.00 H new ATOM 161 N ASN A 9 16.206 -3.317 -8.967 1.00 0.00 N ATOM 162 CA ASN A 9 16.191 -3.937 -7.653 1.00 0.00 C ATOM 163 C ASN A 9 15.170 -3.219 -6.767 1.00 0.00 C ATOM 164 O ASN A 9 15.098 -3.474 -5.566 1.00 0.00 O ATOM 165 CB ASN A 9 17.560 -3.831 -6.978 1.00 0.00 C ATOM 166 CG ASN A 9 18.072 -5.210 -6.559 1.00 0.00 C ATOM 167 OD1 ASN A 9 18.377 -5.462 -5.404 1.00 0.00 O ATOM 168 ND2 ASN A 9 18.150 -6.085 -7.557 1.00 0.00 N ATOM 0 H ASN A 9 16.690 -2.420 -9.010 1.00 0.00 H new ATOM 0 HA ASN A 9 15.932 -4.988 -7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.271 -3.367 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 9 17.489 -3.184 -6.104 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.481 -7.033 -7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 9 17.879 -5.808 -8.500 1.00 0.00 H new ATOM 175 N ARG A 10 14.406 -2.337 -7.394 1.00 0.00 N ATOM 176 CA ARG A 10 13.393 -1.582 -6.677 1.00 0.00 C ATOM 177 C ARG A 10 12.084 -1.564 -7.471 1.00 0.00 C ATOM 178 O ARG A 10 11.009 -1.759 -6.905 1.00 0.00 O ATOM 179 CB ARG A 10 13.851 -0.143 -6.430 1.00 0.00 C ATOM 180 CG ARG A 10 15.378 -0.050 -6.407 1.00 0.00 C ATOM 181 CD ARG A 10 15.925 0.329 -7.784 1.00 0.00 C ATOM 182 NE ARG A 10 17.360 -0.024 -7.873 1.00 0.00 N ATOM 183 CZ ARG A 10 18.363 0.777 -7.457 1.00 0.00 C ATOM 184 NH1 ARG A 10 18.096 1.987 -6.918 1.00 0.00 N ATOM 185 NH2 ARG A 10 19.610 0.362 -7.585 1.00 0.00 N ATOM 0 H ARG A 10 14.468 -2.128 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 10 13.233 -2.071 -5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.455 0.507 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG A 10 13.447 0.213 -5.482 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.690 0.691 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.799 -1.006 -6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 10 15.365 -0.190 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.793 1.397 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 10 17.606 -0.929 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.130 2.301 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.860 2.586 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.804 -0.552 -7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.379 0.956 -7.275 1.00 0.00 H new ATOM 198 N ARG A 11 12.219 -1.328 -8.767 1.00 0.00 N ATOM 199 CA ARG A 11 11.061 -1.281 -9.643 1.00 0.00 C ATOM 200 C ARG A 11 10.193 -2.527 -9.443 1.00 0.00 C ATOM 201 O ARG A 11 8.998 -2.508 -9.733 1.00 0.00 O ATOM 202 CB ARG A 11 11.483 -1.194 -11.111 1.00 0.00 C ATOM 203 CG ARG A 11 10.478 -0.373 -11.923 1.00 0.00 C ATOM 204 CD ARG A 11 10.778 -0.466 -13.420 1.00 0.00 C ATOM 205 NE ARG A 11 10.207 -1.712 -13.975 1.00 0.00 N ATOM 206 CZ ARG A 11 10.875 -2.883 -14.050 1.00 0.00 C ATOM 207 NH1 ARG A 11 12.145 -2.978 -13.603 1.00 0.00 N ATOM 208 NH2 ARG A 11 10.266 -3.936 -14.565 1.00 0.00 N ATOM 0 H ARG A 11 13.113 -1.167 -9.232 1.00 0.00 H new ATOM 0 HA ARG A 11 10.489 -0.389 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.471 -0.740 -11.183 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.562 -2.197 -11.530 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.467 -0.732 -11.728 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.513 0.669 -11.605 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.359 0.397 -13.937 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.855 -0.445 -13.585 1.00 0.00 H new ATOM 0 HE ARG A 11 9.249 -1.685 -14.323 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.608 -2.161 -13.204 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.642 -3.867 -13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.305 -3.857 -14.899 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.756 -4.828 -14.629 1.00 0.00 H new ATOM 221 N MET A 12 10.830 -3.578 -8.950 1.00 0.00 N ATOM 222 CA MET A 12 10.132 -4.830 -8.707 1.00 0.00 C ATOM 223 C MET A 12 9.292 -4.750 -7.430 1.00 0.00 C ATOM 224 O MET A 12 8.674 -5.735 -7.028 1.00 0.00 O ATOM 225 CB MET A 12 11.149 -5.965 -8.579 1.00 0.00 C ATOM 226 CG MET A 12 10.494 -7.321 -8.848 1.00 0.00 C ATOM 227 SD MET A 12 11.741 -8.532 -9.254 1.00 0.00 S ATOM 228 CE MET A 12 11.115 -9.937 -8.348 1.00 0.00 C ATOM 0 H MET A 12 11.822 -3.589 -8.712 1.00 0.00 H new ATOM 0 HA MET A 12 9.465 -5.022 -9.547 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.967 -5.806 -9.282 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.583 -5.959 -7.579 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.934 -7.644 -7.970 1.00 0.00 H new ATOM 0 HG3 MET A 12 9.780 -7.233 -9.667 1.00 0.00 H new ATOM 0 HE1 MET A 12 11.780 -10.789 -8.493 1.00 0.00 H new ATOM 0 HE2 MET A 12 11.064 -9.692 -7.287 1.00 0.00 H new ATOM 0 HE3 MET A 12 10.118 -10.189 -8.711 1.00 0.00 H new ATOM 238 N LYS A 13 9.296 -3.570 -6.830 1.00 0.00 N ATOM 239 CA LYS A 13 8.542 -3.349 -5.607 1.00 0.00 C ATOM 240 C LYS A 13 8.740 -1.904 -5.144 1.00 0.00 C ATOM 241 O LYS A 13 9.323 -1.661 -4.089 1.00 0.00 O ATOM 242 CB LYS A 13 8.918 -4.389 -4.551 1.00 0.00 C ATOM 243 CG LYS A 13 7.678 -4.886 -3.804 1.00 0.00 C ATOM 244 CD LYS A 13 8.070 -5.663 -2.546 1.00 0.00 C ATOM 245 CE LYS A 13 6.882 -6.459 -2.001 1.00 0.00 C ATOM 246 NZ LYS A 13 6.481 -7.511 -2.959 1.00 0.00 N ATOM 0 H LYS A 13 9.809 -2.756 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 13 7.476 -3.483 -5.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.421 -5.230 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.624 -3.955 -3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.050 -4.038 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.085 -5.524 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.893 -6.341 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.429 -4.971 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.147 -6.911 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.042 -5.789 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.987 -8.272 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.847 -7.104 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.327 -7.897 -3.424 1.00 0.00 H new ATOM 259 N TRP A 14 8.244 -0.983 -5.957 1.00 0.00 N ATOM 260 CA TRP A 14 8.359 0.432 -5.645 1.00 0.00 C ATOM 261 C TRP A 14 7.988 0.622 -4.172 1.00 0.00 C ATOM 262 O TRP A 14 8.435 1.573 -3.534 1.00 0.00 O ATOM 263 CB TRP A 14 7.502 1.273 -6.591 1.00 0.00 C ATOM 264 CG TRP A 14 7.584 0.843 -8.056 1.00 0.00 C ATOM 265 CD1 TRP A 14 8.342 1.367 -9.029 1.00 0.00 C ATOM 266 CD2 TRP A 14 6.849 -0.232 -8.680 1.00 0.00 C ATOM 267 NE1 TRP A 14 8.150 0.714 -10.229 1.00 0.00 N ATOM 268 CE2 TRP A 14 7.213 -0.290 -10.010 1.00 0.00 C ATOM 269 CE3 TRP A 14 5.908 -1.125 -8.138 1.00 0.00 C ATOM 270 CZ2 TRP A 14 6.685 -1.224 -10.909 1.00 0.00 C ATOM 271 CZ3 TRP A 14 5.390 -2.052 -9.050 1.00 0.00 C ATOM 272 CH2 TRP A 14 5.745 -2.124 -10.392 1.00 0.00 C ATOM 0 H TRP A 14 7.761 -1.189 -6.832 1.00 0.00 H new ATOM 0 HA TRP A 14 9.382 0.779 -5.794 1.00 0.00 H new ATOM 0 HB2 TRP A 14 6.463 1.221 -6.266 1.00 0.00 H new ATOM 0 HB3 TRP A 14 7.809 2.316 -6.512 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.019 2.197 -8.891 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.610 0.928 -11.114 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.609 -1.098 -7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.986 -1.249 -11.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.663 -2.762 -8.685 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.298 -2.870 -11.032 1.00 0.00 H new ATOM 283 N LYS A 15 7.175 -0.299 -3.676 1.00 0.00 N ATOM 284 CA LYS A 15 6.738 -0.245 -2.292 1.00 0.00 C ATOM 285 C LYS A 15 5.464 0.596 -2.195 1.00 0.00 C ATOM 286 O LYS A 15 4.519 0.221 -1.504 1.00 0.00 O ATOM 287 CB LYS A 15 7.872 0.252 -1.392 1.00 0.00 C ATOM 288 CG LYS A 15 7.780 -0.372 0.002 1.00 0.00 C ATOM 289 CD LYS A 15 8.650 0.391 1.003 1.00 0.00 C ATOM 290 CE LYS A 15 7.816 1.397 1.800 1.00 0.00 C ATOM 291 NZ LYS A 15 8.686 2.214 2.674 1.00 0.00 N ATOM 0 H LYS A 15 6.807 -1.087 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 15 6.489 -1.243 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.833 0.005 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.828 1.338 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.743 -0.368 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.097 -1.414 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.127 -0.312 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.447 0.913 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.266 2.044 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.077 0.869 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.104 2.891 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.192 1.594 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.374 2.732 2.092 1.00 0.00 H new ATOM 304 N LYS A 16 5.479 1.719 -2.899 1.00 0.00 N ATOM 305 CA LYS A 16 4.336 2.616 -2.901 1.00 0.00 C ATOM 306 C LYS A 16 3.048 1.793 -2.942 1.00 0.00 C ATOM 307 O LYS A 16 2.031 2.197 -2.380 1.00 0.00 O ATOM 308 CB LYS A 16 4.455 3.631 -4.041 1.00 0.00 C ATOM 309 CG LYS A 16 5.056 4.947 -3.543 1.00 0.00 C ATOM 310 CD LYS A 16 4.003 5.794 -2.824 1.00 0.00 C ATOM 311 CE LYS A 16 4.290 7.286 -2.996 1.00 0.00 C ATOM 312 NZ LYS A 16 4.034 7.707 -4.391 1.00 0.00 N ATOM 0 H LYS A 16 6.265 2.028 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 16 4.310 3.203 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.078 3.220 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.471 3.816 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.885 4.739 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.464 5.506 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.014 5.562 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.991 5.542 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.664 7.863 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.326 7.496 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.833 8.727 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.871 7.505 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.217 7.185 -4.767 1.00 0.00 H new ATOM 325 N ARG A 17 3.131 0.654 -3.613 1.00 0.00 N ATOM 326 CA ARG A 17 1.984 -0.230 -3.735 1.00 0.00 C ATOM 327 C ARG A 17 0.909 0.415 -4.612 1.00 0.00 C ATOM 328 O ARG A 17 -0.264 0.055 -4.527 1.00 0.00 O ATOM 329 CB ARG A 17 1.388 -0.550 -2.363 1.00 0.00 C ATOM 330 CG ARG A 17 1.770 -1.963 -1.916 1.00 0.00 C ATOM 331 CD ARG A 17 0.546 -2.882 -1.900 1.00 0.00 C ATOM 332 NE ARG A 17 0.288 -3.355 -0.521 1.00 0.00 N ATOM 333 CZ ARG A 17 -0.726 -4.179 -0.182 1.00 0.00 C ATOM 334 NH1 ARG A 17 -1.587 -4.628 -1.119 1.00 0.00 N ATOM 335 NH2 ARG A 17 -0.863 -4.539 1.081 1.00 0.00 N ATOM 0 H ARG A 17 3.976 0.322 -4.079 1.00 0.00 H new ATOM 0 HA ARG A 17 2.326 -1.157 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.742 0.175 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.303 -0.458 -2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.526 -2.369 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.215 -1.926 -0.922 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.325 -2.348 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.711 -3.733 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 17 0.915 -3.039 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.474 -4.345 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.350 -5.250 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.208 -4.195 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.624 -5.161 1.354 1.00 0.00 H new ATOM 348 N VAL A 18 1.347 1.357 -5.435 1.00 0.00 N ATOM 349 CA VAL A 18 0.436 2.054 -6.327 1.00 0.00 C ATOM 350 C VAL A 18 0.471 1.391 -7.705 1.00 0.00 C ATOM 351 O VAL A 18 -0.568 1.007 -8.238 1.00 0.00 O ATOM 352 CB VAL A 18 0.785 3.544 -6.370 1.00 0.00 C ATOM 353 CG1 VAL A 18 2.127 3.772 -7.069 1.00 0.00 C ATOM 354 CG2 VAL A 18 -0.328 4.348 -7.044 1.00 0.00 C ATOM 0 H VAL A 18 2.321 1.654 -5.503 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.588 1.984 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 18 0.878 3.897 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.352 4.838 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.913 3.244 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.074 3.396 -8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.055 5.403 -7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.467 3.992 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.256 4.223 -6.487 1.00 0.00 H new ATOM 364 N PHE A 19 1.677 1.278 -8.242 1.00 0.00 N ATOM 365 CA PHE A 19 1.862 0.669 -9.547 1.00 0.00 C ATOM 366 C PHE A 19 1.200 -0.710 -9.607 1.00 0.00 C ATOM 367 O PHE A 19 0.931 -1.228 -10.690 1.00 0.00 O ATOM 368 CB PHE A 19 3.368 0.508 -9.758 1.00 0.00 C ATOM 369 CG PHE A 19 4.179 1.765 -9.434 1.00 0.00 C ATOM 370 CD1 PHE A 19 4.281 2.764 -10.351 1.00 0.00 C ATOM 371 CD2 PHE A 19 4.797 1.883 -8.228 1.00 0.00 C ATOM 372 CE1 PHE A 19 5.033 3.930 -10.051 1.00 0.00 C ATOM 373 CE2 PHE A 19 5.550 3.049 -7.928 1.00 0.00 C ATOM 374 CZ PHE A 19 5.652 4.049 -8.845 1.00 0.00 C ATOM 0 H PHE A 19 2.536 1.599 -7.796 1.00 0.00 H new ATOM 0 HA PHE A 19 1.409 1.294 -10.316 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.726 -0.313 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.551 0.227 -10.795 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.790 2.670 -11.308 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.715 1.090 -7.499 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.114 4.723 -10.780 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.042 3.142 -6.971 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.224 4.936 -8.616 1.00 0.00 H new ATOM 384 N ASN A 20 0.959 -1.267 -8.429 1.00 0.00 N ATOM 385 CA ASN A 20 0.336 -2.575 -8.333 1.00 0.00 C ATOM 386 C ASN A 20 -1.179 -2.425 -8.488 1.00 0.00 C ATOM 387 O ASN A 20 -1.791 -3.095 -9.320 1.00 0.00 O ATOM 388 CB ASN A 20 0.609 -3.218 -6.972 1.00 0.00 C ATOM 389 CG ASN A 20 0.698 -4.740 -7.092 1.00 0.00 C ATOM 390 OD1 ASN A 20 0.492 -5.319 -8.146 1.00 0.00 O ATOM 391 ND2 ASN A 20 1.013 -5.355 -5.956 1.00 0.00 N ATOM 0 H ASN A 20 1.184 -0.835 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 20 0.752 -3.205 -9.119 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.540 -2.827 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.184 -2.951 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.095 -6.371 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.173 -4.810 -5.109 1.00 0.00 H new ATOM 398 N ASP A 21 -1.741 -1.544 -7.675 1.00 0.00 N ATOM 399 CA ASP A 21 -3.174 -1.299 -7.712 1.00 0.00 C ATOM 400 C ASP A 21 -3.496 -0.361 -8.877 1.00 0.00 C ATOM 401 O ASP A 21 -4.404 0.464 -8.783 1.00 0.00 O ATOM 402 CB ASP A 21 -3.651 -0.629 -6.422 1.00 0.00 C ATOM 403 CG ASP A 21 -2.917 0.661 -6.052 1.00 0.00 C ATOM 404 OD1 ASP A 21 -2.680 1.528 -6.906 1.00 0.00 O ATOM 405 OD2 ASP A 21 -2.579 0.760 -4.811 1.00 0.00 O ATOM 0 H ASP A 21 -1.231 -0.991 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.678 -2.259 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.714 -0.409 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.544 -1.338 -5.601 1.00 0.00 H new ATOM 411 N ALA A 22 -2.734 -0.520 -9.950 1.00 0.00 N ATOM 412 CA ALA A 22 -2.928 0.302 -11.133 1.00 0.00 C ATOM 413 C ALA A 22 -4.360 0.126 -11.642 1.00 0.00 C ATOM 414 O ALA A 22 -4.937 1.051 -12.212 1.00 0.00 O ATOM 415 CB ALA A 22 -1.884 -0.068 -12.188 1.00 0.00 C ATOM 0 H ALA A 22 -1.982 -1.205 -10.025 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.791 1.357 -10.895 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.029 0.548 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.885 0.103 -11.787 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.993 -1.119 -12.455 1.00 0.00 H new ATOM 421 N ARG A 23 -4.891 -1.067 -11.418 1.00 0.00 N ATOM 422 CA ARG A 23 -6.244 -1.376 -11.848 1.00 0.00 C ATOM 423 C ARG A 23 -6.994 -2.123 -10.743 1.00 0.00 C ATOM 424 O ARG A 23 -7.974 -2.815 -11.012 1.00 0.00 O ATOM 425 CB ARG A 23 -6.238 -2.228 -13.118 1.00 0.00 C ATOM 426 CG ARG A 23 -7.457 -1.921 -13.991 1.00 0.00 C ATOM 427 CD ARG A 23 -7.229 -0.659 -14.824 1.00 0.00 C ATOM 428 NE ARG A 23 -8.111 -0.673 -16.014 1.00 0.00 N ATOM 429 CZ ARG A 23 -9.387 -0.233 -16.015 1.00 0.00 C ATOM 430 NH1 ARG A 23 -9.943 0.260 -14.888 1.00 0.00 N ATOM 431 NH2 ARG A 23 -10.083 -0.292 -17.135 1.00 0.00 N ATOM 0 H ARG A 23 -4.409 -1.831 -10.944 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.748 -0.433 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.325 -2.039 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.234 -3.285 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.659 -2.765 -14.650 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.337 -1.791 -13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.431 0.226 -14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.186 -0.602 -15.135 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.730 -1.038 -16.887 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.398 0.302 -14.027 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.908 0.590 -14.898 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.655 -0.666 -17.982 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.049 0.036 -17.153 1.00 0.00 H new ATOM 444 N ASP A 24 -6.504 -1.958 -9.523 1.00 0.00 N ATOM 445 CA ASP A 24 -7.115 -2.609 -8.377 1.00 0.00 C ATOM 446 C ASP A 24 -6.024 -3.014 -7.384 1.00 0.00 C ATOM 447 O ASP A 24 -5.918 -2.438 -6.303 1.00 0.00 O ATOM 448 CB ASP A 24 -7.866 -3.873 -8.797 1.00 0.00 C ATOM 449 CG ASP A 24 -9.362 -3.680 -9.057 1.00 0.00 C ATOM 450 OD1 ASP A 24 -10.157 -4.625 -8.943 1.00 0.00 O ATOM 451 OD2 ASP A 24 -9.707 -2.483 -9.396 1.00 0.00 O ATOM 0 H ASP A 24 -5.691 -1.383 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.816 -1.907 -7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.403 -4.269 -9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.742 -4.627 -8.019 1.00 0.00 H new ATOM 457 N ILE A 25 -5.241 -4.004 -7.787 1.00 0.00 N ATOM 458 CA ILE A 25 -4.161 -4.494 -6.947 1.00 0.00 C ATOM 459 C ILE A 25 -3.003 -4.958 -7.831 1.00 0.00 C ATOM 460 O ILE A 25 -1.844 -4.659 -7.549 1.00 0.00 O ATOM 461 CB ILE A 25 -4.675 -5.571 -5.989 1.00 0.00 C ATOM 462 CG1 ILE A 25 -5.831 -5.042 -5.137 1.00 0.00 C ATOM 463 CG2 ILE A 25 -3.538 -6.129 -5.131 1.00 0.00 C ATOM 464 CD1 ILE A 25 -5.355 -3.936 -4.194 1.00 0.00 C ATOM 0 H ILE A 25 -5.333 -4.480 -8.684 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.777 -3.694 -6.314 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.066 -6.398 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.619 -4.658 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.264 -5.858 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.930 -6.892 -4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.778 -6.569 -5.776 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.095 -5.323 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.196 -3.577 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.584 -4.330 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.945 -3.112 -4.778 1.00 0.00 H new ATOM 476 N ILE A 26 -3.357 -5.683 -8.883 1.00 0.00 N ATOM 477 CA ILE A 26 -2.361 -6.192 -9.810 1.00 0.00 C ATOM 478 C ILE A 26 -2.852 -5.984 -11.243 1.00 0.00 C ATOM 479 O ILE A 26 -2.796 -6.901 -12.061 1.00 0.00 O ATOM 480 CB ILE A 26 -2.017 -7.646 -9.482 1.00 0.00 C ATOM 481 CG1 ILE A 26 -1.585 -7.792 -8.021 1.00 0.00 C ATOM 482 CG2 ILE A 26 -0.964 -8.192 -10.449 1.00 0.00 C ATOM 483 CD1 ILE A 26 -2.622 -8.583 -7.220 1.00 0.00 C ATOM 0 H ILE A 26 -4.320 -5.930 -9.113 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.428 -5.638 -9.709 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.917 -8.247 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.620 -8.296 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.452 -6.806 -7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.738 -9.227 -10.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.347 -8.145 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.056 -7.593 -10.375 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.291 -8.673 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.580 -8.063 -7.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.735 -9.577 -7.652 1.00 0.00 H new ATOM 495 N GLN A 27 -3.322 -4.773 -11.504 1.00 0.00 N ATOM 496 CA GLN A 27 -3.822 -4.433 -12.825 1.00 0.00 C ATOM 497 C GLN A 27 -4.938 -5.397 -13.234 1.00 0.00 C ATOM 498 O GLN A 27 -5.327 -5.443 -14.401 1.00 0.00 O ATOM 499 CB GLN A 27 -2.692 -4.434 -13.857 1.00 0.00 C ATOM 500 CG GLN A 27 -3.175 -3.880 -15.199 1.00 0.00 C ATOM 501 CD GLN A 27 -3.085 -4.943 -16.296 1.00 0.00 C ATOM 502 OE1 GLN A 27 -2.206 -4.660 -17.252 1.00 0.00 O flip ATOM 503 NE2 GLN A 27 -3.769 -5.953 -16.274 1.00 0.00 N flip ATOM 0 H GLN A 27 -3.367 -4.015 -10.823 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.234 -3.425 -12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.859 -3.834 -13.490 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.319 -5.449 -13.992 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.205 -3.536 -15.105 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.574 -3.014 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.425 -6.108 -15.509 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.685 -6.642 -17.021 1.00 0.00 H new ATOM 512 N ARG A 28 -5.423 -6.141 -12.252 1.00 0.00 N ATOM 513 CA ARG A 28 -6.487 -7.101 -12.494 1.00 0.00 C ATOM 514 C ARG A 28 -5.997 -8.213 -13.422 1.00 0.00 C ATOM 515 O ARG A 28 -6.686 -8.584 -14.371 1.00 0.00 O ATOM 516 CB ARG A 28 -7.708 -6.423 -13.122 1.00 0.00 C ATOM 517 CG ARG A 28 -8.577 -5.762 -12.051 1.00 0.00 C ATOM 518 CD ARG A 28 -10.054 -6.105 -12.257 1.00 0.00 C ATOM 519 NE ARG A 28 -10.864 -5.538 -11.155 1.00 0.00 N ATOM 520 CZ ARG A 28 -12.168 -5.210 -11.266 1.00 0.00 C ATOM 521 NH1 ARG A 28 -12.823 -5.389 -12.432 1.00 0.00 N ATOM 522 NH2 ARG A 28 -12.794 -4.709 -10.216 1.00 0.00 N ATOM 0 H ARG A 28 -5.099 -6.099 -11.286 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.775 -7.526 -11.533 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.382 -5.675 -13.844 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.296 -7.159 -13.670 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.257 -6.093 -11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.443 -4.681 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.398 -5.710 -13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.183 -7.187 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.408 -5.386 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.332 -5.775 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.809 -5.138 -12.507 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.292 -4.575 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.780 -4.456 -10.283 1.00 0.00 H new ATOM 535 N MET A 29 -4.809 -8.716 -13.116 1.00 0.00 N ATOM 536 CA MET A 29 -4.219 -9.779 -13.911 1.00 0.00 C ATOM 537 C MET A 29 -3.885 -10.992 -13.042 1.00 0.00 C ATOM 538 O MET A 29 -4.055 -12.133 -13.470 1.00 0.00 O ATOM 539 CB MET A 29 -2.943 -9.265 -14.583 1.00 0.00 C ATOM 540 CG MET A 29 -1.757 -9.315 -13.618 1.00 0.00 C ATOM 541 SD MET A 29 -0.356 -8.467 -14.328 1.00 0.00 S ATOM 542 CE MET A 29 0.487 -9.844 -15.090 1.00 0.00 C ATOM 0 H MET A 29 -4.240 -8.406 -12.328 1.00 0.00 H new ATOM 0 HA MET A 29 -4.941 -10.086 -14.668 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.724 -9.867 -15.465 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.095 -8.241 -14.925 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.030 -8.853 -12.669 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.495 -10.351 -13.404 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.392 -9.489 -15.583 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.753 -10.576 -14.327 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.168 -10.309 -15.826 1.00 0.00 H new ATOM 552 N HIS A 30 -3.415 -10.706 -11.837 1.00 0.00 N ATOM 553 CA HIS A 30 -3.057 -11.760 -10.904 1.00 0.00 C ATOM 554 C HIS A 30 -3.964 -11.687 -9.673 1.00 0.00 C ATOM 555 O HIS A 30 -3.760 -12.415 -8.703 1.00 0.00 O ATOM 556 CB HIS A 30 -1.570 -11.690 -10.550 1.00 0.00 C ATOM 557 CG HIS A 30 -0.907 -13.039 -10.409 1.00 0.00 C ATOM 558 ND1 HIS A 30 -1.552 -14.140 -9.873 1.00 0.00 N ATOM 559 CD2 HIS A 30 0.349 -13.454 -10.743 1.00 0.00 C ATOM 560 CE1 HIS A 30 -0.713 -15.165 -9.887 1.00 0.00 C ATOM 561 NE2 HIS A 30 0.465 -14.738 -10.425 1.00 0.00 N ATOM 0 H HIS A 30 -3.274 -9.759 -11.485 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.215 -12.732 -11.371 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.050 -11.120 -11.320 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.455 -11.141 -9.615 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -2.511 -14.159 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 30 1.118 -12.842 -11.190 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.925 -16.164 -9.534 1.00 0.00 H new ATOM 569 N LEU A 31 -4.945 -10.801 -9.753 1.00 0.00 N ATOM 570 CA LEU A 31 -5.883 -10.623 -8.658 1.00 0.00 C ATOM 571 C LEU A 31 -6.637 -11.933 -8.420 1.00 0.00 C ATOM 572 O LEU A 31 -6.224 -12.987 -8.901 1.00 0.00 O ATOM 573 CB LEU A 31 -6.800 -9.427 -8.926 1.00 0.00 C ATOM 574 CG LEU A 31 -6.566 -8.195 -8.050 1.00 0.00 C ATOM 575 CD1 LEU A 31 -6.659 -6.910 -8.877 1.00 0.00 C ATOM 576 CD2 LEU A 31 -7.525 -8.179 -6.858 1.00 0.00 C ATOM 0 H LEU A 31 -5.111 -10.198 -10.559 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.351 -10.388 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.686 -9.134 -9.970 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.833 -9.750 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.554 -8.248 -7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.489 -6.049 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.905 -6.928 -9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.650 -6.837 -9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.337 -7.293 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.553 -8.161 -7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.369 -9.072 -6.253 1.00 0.00 H new ATOM 588 N ARG A 32 -7.729 -11.824 -7.678 1.00 0.00 N ATOM 589 CA ARG A 32 -8.544 -12.986 -7.370 1.00 0.00 C ATOM 590 C ARG A 32 -9.508 -13.279 -8.522 1.00 0.00 C ATOM 591 O ARG A 32 -9.460 -14.355 -9.117 1.00 0.00 O ATOM 592 CB ARG A 32 -9.346 -12.772 -6.084 1.00 0.00 C ATOM 593 CG ARG A 32 -9.873 -14.101 -5.539 1.00 0.00 C ATOM 594 CD ARG A 32 -8.756 -14.897 -4.859 1.00 0.00 C ATOM 595 NE ARG A 32 -8.713 -14.574 -3.416 1.00 0.00 N ATOM 596 CZ ARG A 32 -8.005 -15.275 -2.505 1.00 0.00 C ATOM 597 NH1 ARG A 32 -7.274 -16.346 -2.881 1.00 0.00 N ATOM 598 NH2 ARG A 32 -8.038 -14.898 -1.240 1.00 0.00 N ATOM 0 H ARG A 32 -8.068 -10.948 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.873 -13.833 -7.229 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.717 -12.291 -5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.180 -12.098 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.676 -13.913 -4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.300 -14.688 -6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.924 -15.965 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.797 -14.663 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.252 -13.772 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.254 -16.631 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.742 -16.870 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.593 -14.088 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.509 -15.417 -0.539 1.00 0.00 H new ATOM 611 N GLN A 33 -10.359 -12.304 -8.801 1.00 0.00 N ATOM 612 CA GLN A 33 -11.333 -12.444 -9.870 1.00 0.00 C ATOM 613 C GLN A 33 -11.906 -13.862 -9.884 1.00 0.00 C ATOM 614 O GLN A 33 -11.799 -14.570 -10.884 1.00 0.00 O ATOM 615 CB GLN A 33 -10.714 -12.090 -11.224 1.00 0.00 C ATOM 616 CG GLN A 33 -11.708 -11.319 -12.097 1.00 0.00 C ATOM 617 CD GLN A 33 -12.129 -10.011 -11.424 1.00 0.00 C ATOM 618 OE1 GLN A 33 -13.301 -9.727 -11.241 1.00 0.00 O ATOM 619 NE2 GLN A 33 -11.111 -9.235 -11.067 1.00 0.00 N ATOM 0 H GLN A 33 -10.395 -11.413 -8.305 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.149 -11.745 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.817 -11.490 -11.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.405 -13.001 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.257 -11.105 -13.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.587 -11.935 -12.284 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.153 -9.534 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.287 -8.340 -10.610 1.00 0.00 H new ATOM 628 N TYR A 34 -12.505 -14.234 -8.762 1.00 0.00 N ATOM 629 CA TYR A 34 -13.096 -15.555 -8.633 1.00 0.00 C ATOM 630 C TYR A 34 -14.538 -15.564 -9.146 1.00 0.00 C ATOM 631 O TYR A 34 -15.411 -16.186 -8.545 1.00 0.00 O ATOM 632 CB TYR A 34 -13.100 -15.871 -7.136 1.00 0.00 C ATOM 633 CG TYR A 34 -14.299 -15.294 -6.380 1.00 0.00 C ATOM 634 CD1 TYR A 34 -14.901 -14.135 -6.825 1.00 0.00 C ATOM 635 CD2 TYR A 34 -14.778 -15.933 -5.254 1.00 0.00 C ATOM 636 CE1 TYR A 34 -16.030 -13.592 -6.114 1.00 0.00 C ATOM 637 CE2 TYR A 34 -15.906 -15.389 -4.543 1.00 0.00 C ATOM 638 CZ TYR A 34 -16.476 -14.246 -5.009 1.00 0.00 C ATOM 639 OH TYR A 34 -17.543 -13.733 -4.337 1.00 0.00 O ATOM 0 H TYR A 34 -12.594 -13.644 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.532 -16.285 -9.214 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -13.087 -16.953 -7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.183 -15.484 -6.691 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.526 -13.635 -7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.307 -16.841 -4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.511 -12.686 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.290 -15.878 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.752 -14.305 -3.569 1.00 0.00 H new ATOM 649 N GLU A 35 -14.740 -14.866 -10.254 1.00 0.00 N ATOM 650 CA GLU A 35 -16.061 -14.786 -10.856 1.00 0.00 C ATOM 651 C GLU A 35 -16.556 -16.182 -11.238 1.00 0.00 C ATOM 652 O GLU A 35 -16.072 -17.182 -10.710 1.00 0.00 O ATOM 653 CB GLU A 35 -16.055 -13.854 -12.070 1.00 0.00 C ATOM 654 CG GLU A 35 -17.283 -12.942 -12.069 1.00 0.00 C ATOM 655 CD GLU A 35 -17.315 -12.065 -13.321 1.00 0.00 C ATOM 656 OE1 GLU A 35 -17.135 -10.842 -13.226 1.00 0.00 O ATOM 657 OE2 GLU A 35 -17.536 -12.696 -14.424 1.00 0.00 O ATOM 0 H GLU A 35 -14.013 -14.351 -10.750 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.749 -14.367 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.148 -13.249 -12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -16.037 -14.445 -12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.189 -13.546 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.272 -12.312 -11.180 1.00 0.00 H new ATOM 665 N LEU A 36 -17.515 -16.205 -12.151 1.00 0.00 N ATOM 666 CA LEU A 36 -18.082 -17.462 -12.611 1.00 0.00 C ATOM 667 C LEU A 36 -16.960 -18.489 -12.783 1.00 0.00 C ATOM 668 O LEU A 36 -17.187 -19.690 -12.642 1.00 0.00 O ATOM 669 CB LEU A 36 -18.915 -17.245 -13.875 1.00 0.00 C ATOM 670 CG LEU A 36 -18.164 -17.366 -15.203 1.00 0.00 C ATOM 671 CD1 LEU A 36 -16.941 -16.447 -15.228 1.00 0.00 C ATOM 672 CD2 LEU A 36 -17.793 -18.822 -15.491 1.00 0.00 C ATOM 0 H LEU A 36 -17.914 -15.373 -12.585 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.772 -17.863 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -19.732 -17.966 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.365 -16.253 -13.824 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.828 -17.038 -16.002 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.426 -16.553 -16.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.260 -15.413 -15.101 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.264 -16.720 -14.418 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.260 -18.881 -16.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.154 -19.200 -14.692 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -18.700 -19.424 -15.546 1.00 0.00 H new ATOM 684 N LEU A 37 -15.775 -17.979 -13.084 1.00 0.00 N ATOM 685 CA LEU A 37 -14.619 -18.836 -13.276 1.00 0.00 C ATOM 686 C LEU A 37 -14.660 -19.978 -12.258 1.00 0.00 C ATOM 687 O LEU A 37 -13.744 -20.797 -12.200 1.00 0.00 O ATOM 688 CB LEU A 37 -13.328 -18.016 -13.226 1.00 0.00 C ATOM 689 CG LEU A 37 -12.575 -17.868 -14.549 1.00 0.00 C ATOM 690 CD1 LEU A 37 -11.356 -16.958 -14.388 1.00 0.00 C ATOM 691 CD2 LEU A 37 -12.197 -19.236 -15.120 1.00 0.00 C ATOM 0 H LEU A 37 -15.591 -16.982 -13.200 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.644 -19.290 -14.267 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.568 -17.020 -12.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.658 -18.475 -12.499 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.240 -17.391 -15.269 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.839 -16.870 -15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.680 -15.971 -14.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.679 -17.384 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.663 -19.103 -16.061 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.558 -19.762 -14.411 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.101 -19.819 -15.296 1.00 0.00 H new TER 703 LEU A 37