USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.0132 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 6 GLN : amide:sc= -3.96! C(o=-4!,f=-2.1!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 142:sc= -1.3 (180deg=-3.62!) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.252 (180deg=-0.808) USER MOD Single : A 28 MET CE :methyl 160:sc= -0.104 (180deg=-0.7) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0686 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -148:sc= -0.445 (180deg=-2.17!) USER MOD Single : A 51 GLN : amide:sc= -0.0699 K(o=-0.07,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= -0.882 (180deg=-2.88!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.072) USER MOD Single : A 86 MET CE :methyl -179:sc= -10.4! (180deg=-10.5!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.031 7.864 -22.304 1.00 0.00 N ATOM 2 CA ALA A 1 -20.082 7.841 -20.827 1.00 0.00 C ATOM 3 C ALA A 1 -20.836 6.571 -20.347 1.00 0.00 C ATOM 4 O ALA A 1 -22.072 6.544 -20.314 1.00 0.00 O ATOM 5 CB ALA A 1 -20.742 9.131 -20.305 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.525 8.716 -22.621 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.533 7.018 -22.647 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.999 7.874 -22.685 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.070 7.800 -20.423 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.776 9.107 -19.216 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.162 9.994 -20.631 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.756 9.206 -20.698 1.00 0.00 H new ATOM 13 N SER A 2 -20.071 5.517 -20.007 1.00 0.00 N ATOM 14 CA SER A 2 -20.634 4.207 -19.586 1.00 0.00 C ATOM 15 C SER A 2 -19.675 3.524 -18.573 1.00 0.00 C ATOM 16 O SER A 2 -19.151 2.435 -18.835 1.00 0.00 O ATOM 17 CB SER A 2 -20.892 3.332 -20.834 1.00 0.00 C ATOM 18 OG SER A 2 -19.732 3.242 -21.655 1.00 0.00 O ATOM 0 H SER A 2 -19.051 5.542 -20.014 1.00 0.00 H new ATOM 0 HA SER A 2 -21.589 4.351 -19.081 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.198 2.333 -20.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.716 3.752 -21.411 1.00 0.00 H new ATOM 0 HG SER A 2 -18.982 2.901 -21.125 1.00 0.00 H new ATOM 24 N MET A 3 -19.441 4.192 -17.429 1.00 0.00 N ATOM 25 CA MET A 3 -18.564 3.672 -16.347 1.00 0.00 C ATOM 26 C MET A 3 -17.086 3.713 -16.821 1.00 0.00 C ATOM 27 O MET A 3 -16.600 2.771 -17.458 1.00 0.00 O ATOM 28 CB MET A 3 -19.017 2.240 -15.948 1.00 0.00 C ATOM 29 CG MET A 3 -20.506 1.920 -16.184 1.00 0.00 C ATOM 30 SD MET A 3 -21.147 0.830 -14.891 1.00 0.00 S ATOM 31 CE MET A 3 -22.754 0.366 -15.567 1.00 0.00 C ATOM 0 H MET A 3 -19.849 5.104 -17.222 1.00 0.00 H new ATOM 0 HA MET A 3 -18.645 4.297 -15.458 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.417 1.521 -16.505 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.795 2.090 -14.891 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.082 2.845 -16.203 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.630 1.447 -17.158 1.00 0.00 H new ATOM 0 HE1 MET A 3 -23.260 -0.305 -14.873 1.00 0.00 H new ATOM 0 HE2 MET A 3 -23.359 1.261 -15.713 1.00 0.00 H new ATOM 0 HE3 MET A 3 -22.615 -0.138 -16.523 1.00 0.00 H new ATOM 41 N THR A 4 -16.383 4.809 -16.482 1.00 0.00 N ATOM 42 CA THR A 4 -14.968 5.027 -16.886 1.00 0.00 C ATOM 43 C THR A 4 -14.284 6.046 -15.934 1.00 0.00 C ATOM 44 O THR A 4 -13.380 6.787 -16.345 1.00 0.00 O ATOM 45 CB THR A 4 -14.869 5.389 -18.401 1.00 0.00 C ATOM 46 OG1 THR A 4 -16.127 5.149 -19.024 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.783 4.679 -19.236 1.00 0.00 C ATOM 0 H THR A 4 -16.771 5.569 -15.923 1.00 0.00 H new ATOM 0 HA THR A 4 -14.408 4.098 -16.778 1.00 0.00 H new ATOM 0 HB THR A 4 -14.573 6.438 -18.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.070 5.377 -19.975 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.831 5.028 -20.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.800 4.905 -18.822 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.949 3.602 -19.209 1.00 0.00 H new ATOM 55 N ASP A 5 -14.702 6.055 -14.655 1.00 0.00 N ATOM 56 CA ASP A 5 -14.118 6.925 -13.602 1.00 0.00 C ATOM 57 C ASP A 5 -12.895 6.229 -12.944 1.00 0.00 C ATOM 58 O ASP A 5 -12.593 6.493 -11.767 1.00 0.00 O ATOM 59 CB ASP A 5 -15.192 7.324 -12.542 1.00 0.00 C ATOM 60 CG ASP A 5 -16.658 7.191 -12.986 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.024 7.748 -14.045 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.446 6.524 -12.280 1.00 0.00 O ATOM 0 H ASP A 5 -15.457 5.459 -14.315 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.770 7.847 -14.068 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.044 6.708 -11.655 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.015 8.358 -12.246 1.00 0.00 H new ATOM 67 N GLN A 6 -12.220 5.324 -13.673 1.00 0.00 N ATOM 68 CA GLN A 6 -10.995 4.627 -13.200 1.00 0.00 C ATOM 69 C GLN A 6 -9.755 5.487 -13.568 1.00 0.00 C ATOM 70 O GLN A 6 -8.747 4.954 -14.060 1.00 0.00 O ATOM 71 CB GLN A 6 -10.922 3.199 -13.817 1.00 0.00 C ATOM 72 CG GLN A 6 -10.437 2.072 -12.873 1.00 0.00 C ATOM 73 CD GLN A 6 -9.158 1.354 -13.342 1.00 0.00 C ATOM 74 OE1 GLN A 6 -9.169 0.602 -14.316 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.037 1.571 -12.670 1.00 0.00 N ATOM 0 H GLN A 6 -12.504 5.049 -14.613 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.019 4.507 -12.117 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.913 2.934 -14.187 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.258 3.232 -14.681 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.260 2.495 -11.884 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.234 1.336 -12.767 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.038 2.196 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.173 1.113 -12.959 1.00 0.00 H new ATOM 84 N GLN A 7 -9.821 6.804 -13.301 1.00 0.00 N ATOM 85 CA GLN A 7 -8.744 7.765 -13.661 1.00 0.00 C ATOM 86 C GLN A 7 -9.039 9.129 -12.980 1.00 0.00 C ATOM 87 O GLN A 7 -8.140 9.748 -12.397 1.00 0.00 O ATOM 88 CB GLN A 7 -8.646 7.955 -15.202 1.00 0.00 C ATOM 89 CG GLN A 7 -9.976 7.862 -15.984 1.00 0.00 C ATOM 90 CD GLN A 7 -9.908 8.567 -17.349 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.775 9.368 -17.698 1.00 0.00 O ATOM 92 NE2 GLN A 7 -8.885 8.293 -18.145 1.00 0.00 N ATOM 0 H GLN A 7 -10.616 7.238 -12.832 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.790 7.368 -13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.199 8.929 -15.400 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.962 7.204 -15.598 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.233 6.813 -16.133 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.775 8.305 -15.389 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.171 7.628 -17.847 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.811 8.747 -19.055 1.00 0.00 H new ATOM 101 N ALA A 8 -10.301 9.588 -13.070 1.00 0.00 N ATOM 102 CA ALA A 8 -10.741 10.879 -12.478 1.00 0.00 C ATOM 103 C ALA A 8 -10.223 11.008 -11.018 1.00 0.00 C ATOM 104 O ALA A 8 -9.635 12.030 -10.645 1.00 0.00 O ATOM 105 CB ALA A 8 -12.279 10.966 -12.549 1.00 0.00 C ATOM 0 H ALA A 8 -11.045 9.083 -13.551 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.321 11.711 -13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.610 11.910 -12.117 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.599 10.911 -13.590 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.716 10.138 -11.991 1.00 0.00 H new ATOM 111 N GLU A 9 -10.479 9.969 -10.201 1.00 0.00 N ATOM 112 CA GLU A 9 -10.140 9.965 -8.753 1.00 0.00 C ATOM 113 C GLU A 9 -8.618 10.221 -8.582 1.00 0.00 C ATOM 114 O GLU A 9 -8.199 10.981 -7.701 1.00 0.00 O ATOM 115 CB GLU A 9 -10.581 8.643 -8.060 1.00 0.00 C ATOM 116 CG GLU A 9 -11.612 7.774 -8.818 1.00 0.00 C ATOM 117 CD GLU A 9 -12.487 6.930 -7.889 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.860 7.418 -6.799 1.00 0.00 O ATOM 119 OE2 GLU A 9 -12.813 5.776 -8.245 1.00 0.00 O ATOM 0 H GLU A 9 -10.925 9.108 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.691 10.767 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.692 8.039 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.998 8.892 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.250 8.421 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.085 7.115 -9.508 1.00 0.00 H new ATOM 126 N ALA A 10 -7.801 9.552 -9.416 1.00 0.00 N ATOM 127 CA ALA A 10 -6.318 9.595 -9.315 1.00 0.00 C ATOM 128 C ALA A 10 -5.760 10.953 -9.824 1.00 0.00 C ATOM 129 O ALA A 10 -4.632 11.329 -9.477 1.00 0.00 O ATOM 130 CB ALA A 10 -5.731 8.407 -10.107 1.00 0.00 C ATOM 0 H ALA A 10 -8.142 8.966 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.021 9.508 -8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.643 8.427 -10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.103 7.472 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.032 8.482 -11.152 1.00 0.00 H new ATOM 136 N ARG A 11 -6.538 11.659 -10.665 1.00 0.00 N ATOM 137 CA ARG A 11 -6.102 12.916 -11.329 1.00 0.00 C ATOM 138 C ARG A 11 -6.174 14.065 -10.286 1.00 0.00 C ATOM 139 O ARG A 11 -5.304 14.944 -10.254 1.00 0.00 O ATOM 140 CB ARG A 11 -6.992 13.219 -12.567 1.00 0.00 C ATOM 141 CG ARG A 11 -6.371 12.829 -13.929 1.00 0.00 C ATOM 142 CD ARG A 11 -5.802 14.041 -14.692 1.00 0.00 C ATOM 143 NE ARG A 11 -4.776 13.636 -15.686 1.00 0.00 N ATOM 144 CZ ARG A 11 -3.882 14.473 -16.249 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.151 15.762 -16.399 1.00 0.00 N ATOM 146 NH2 ARG A 11 -2.698 14.036 -16.656 1.00 0.00 N ATOM 0 H ARG A 11 -7.488 11.380 -10.908 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.078 12.816 -11.690 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.939 12.692 -12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.219 14.285 -12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.576 12.101 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.128 12.341 -14.543 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.613 14.564 -15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.364 14.743 -13.983 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.746 12.655 -15.962 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.047 16.136 -16.086 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.462 16.380 -16.827 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.452 13.052 -16.545 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.034 14.683 -17.080 1.00 0.00 H new ATOM 160 N ALA A 12 -7.237 14.056 -9.460 1.00 0.00 N ATOM 161 CA ALA A 12 -7.491 15.118 -8.451 1.00 0.00 C ATOM 162 C ALA A 12 -6.490 14.979 -7.273 1.00 0.00 C ATOM 163 O ALA A 12 -6.100 15.976 -6.654 1.00 0.00 O ATOM 164 CB ALA A 12 -8.955 15.027 -7.977 1.00 0.00 C ATOM 0 H ALA A 12 -7.943 13.320 -9.468 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.338 16.102 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.147 15.804 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.622 15.164 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.133 14.049 -7.531 1.00 0.00 H new ATOM 170 N PHE A 13 -6.104 13.727 -6.961 1.00 0.00 N ATOM 171 CA PHE A 13 -5.172 13.420 -5.843 1.00 0.00 C ATOM 172 C PHE A 13 -3.719 13.770 -6.267 1.00 0.00 C ATOM 173 O PHE A 13 -2.937 14.300 -5.469 1.00 0.00 O ATOM 174 CB PHE A 13 -5.349 11.929 -5.433 1.00 0.00 C ATOM 175 CG PHE A 13 -4.605 11.510 -4.149 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.763 12.414 -3.490 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.767 10.221 -3.627 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.103 12.036 -2.323 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.104 9.845 -2.462 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.276 10.754 -1.808 1.00 0.00 C ATOM 0 H PHE A 13 -6.423 12.901 -7.468 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.397 14.027 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.412 11.729 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.007 11.300 -6.254 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.625 13.408 -3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.410 9.514 -4.131 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.457 12.738 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.232 8.849 -2.065 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.768 10.464 -0.900 1.00 0.00 H new ATOM 190 N LEU A 14 -3.381 13.464 -7.534 1.00 0.00 N ATOM 191 CA LEU A 14 -2.009 13.638 -8.078 1.00 0.00 C ATOM 192 C LEU A 14 -2.073 14.705 -9.205 1.00 0.00 C ATOM 193 O LEU A 14 -2.648 14.462 -10.272 1.00 0.00 O ATOM 194 CB LEU A 14 -1.437 12.284 -8.596 1.00 0.00 C ATOM 195 CG LEU A 14 -1.820 10.993 -7.815 1.00 0.00 C ATOM 196 CD1 LEU A 14 -2.078 9.815 -8.777 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.756 10.595 -6.772 1.00 0.00 C ATOM 0 H LEU A 14 -4.045 13.090 -8.212 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.332 13.977 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.757 12.158 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.350 12.361 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.740 11.223 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.343 8.927 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.896 10.069 -9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.177 9.615 -9.358 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.073 9.689 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.195 10.414 -7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.637 11.401 -6.048 1.00 0.00 H new ATOM 209 N SER A 15 -1.449 15.872 -8.957 1.00 0.00 N ATOM 210 CA SER A 15 -1.405 16.993 -9.932 1.00 0.00 C ATOM 211 C SER A 15 -0.628 16.555 -11.204 1.00 0.00 C ATOM 212 O SER A 15 -0.295 15.375 -11.365 1.00 0.00 O ATOM 213 CB SER A 15 -0.778 18.236 -9.259 1.00 0.00 C ATOM 214 OG SER A 15 -1.316 19.442 -9.791 1.00 0.00 O ATOM 0 H SER A 15 -0.962 16.070 -8.083 1.00 0.00 H new ATOM 0 HA SER A 15 -2.414 17.261 -10.246 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.957 18.199 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.302 18.223 -9.403 1.00 0.00 H new ATOM 0 HG SER A 15 -0.902 20.210 -9.345 1.00 0.00 H new ATOM 220 N GLU A 16 -0.375 17.517 -12.110 1.00 0.00 N ATOM 221 CA GLU A 16 0.328 17.260 -13.395 1.00 0.00 C ATOM 222 C GLU A 16 1.856 17.196 -13.120 1.00 0.00 C ATOM 223 O GLU A 16 2.570 16.395 -13.737 1.00 0.00 O ATOM 224 CB GLU A 16 -0.069 18.332 -14.451 1.00 0.00 C ATOM 225 CG GLU A 16 0.822 18.423 -15.712 1.00 0.00 C ATOM 226 CD GLU A 16 2.094 19.256 -15.522 1.00 0.00 C ATOM 227 OE1 GLU A 16 2.103 20.157 -14.654 1.00 0.00 O ATOM 228 OE2 GLU A 16 3.091 19.011 -16.237 1.00 0.00 O ATOM 0 H GLU A 16 -0.647 18.491 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 16 0.029 16.301 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.092 18.134 -14.770 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.070 19.307 -13.963 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.103 17.415 -16.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.238 18.852 -16.526 1.00 0.00 H new ATOM 235 N GLU A 17 2.329 18.050 -12.187 1.00 0.00 N ATOM 236 CA GLU A 17 3.783 18.182 -11.891 1.00 0.00 C ATOM 237 C GLU A 17 4.271 16.845 -11.266 1.00 0.00 C ATOM 238 O GLU A 17 5.355 16.352 -11.598 1.00 0.00 O ATOM 239 CB GLU A 17 4.071 19.423 -10.995 1.00 0.00 C ATOM 240 CG GLU A 17 5.276 20.304 -11.400 1.00 0.00 C ATOM 241 CD GLU A 17 6.623 19.809 -10.865 1.00 0.00 C ATOM 242 OE1 GLU A 17 6.666 19.276 -9.734 1.00 0.00 O ATOM 243 OE2 GLU A 17 7.644 19.946 -11.575 1.00 0.00 O ATOM 0 H GLU A 17 1.733 18.658 -11.625 1.00 0.00 H new ATOM 0 HA GLU A 17 4.345 18.361 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.179 20.050 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.230 19.077 -9.974 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.326 20.354 -12.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.106 21.319 -11.042 1.00 0.00 H new ATOM 250 N MET A 18 3.453 16.275 -10.362 1.00 0.00 N ATOM 251 CA MET A 18 3.794 15.024 -9.634 1.00 0.00 C ATOM 252 C MET A 18 3.668 13.843 -10.635 1.00 0.00 C ATOM 253 O MET A 18 4.467 12.899 -10.597 1.00 0.00 O ATOM 254 CB MET A 18 2.896 14.833 -8.379 1.00 0.00 C ATOM 255 CG MET A 18 1.988 13.589 -8.383 1.00 0.00 C ATOM 256 SD MET A 18 1.530 13.151 -6.691 1.00 0.00 S ATOM 257 CE MET A 18 0.808 14.699 -6.109 1.00 0.00 C ATOM 0 H MET A 18 2.542 16.660 -10.112 1.00 0.00 H new ATOM 0 HA MET A 18 4.816 15.072 -9.258 1.00 0.00 H new ATOM 0 HB2 MET A 18 3.539 14.786 -7.500 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.268 15.717 -8.268 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.092 13.785 -8.972 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.504 12.754 -8.856 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.051 14.484 -5.473 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.551 15.255 -5.538 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.487 15.295 -6.964 1.00 0.00 H new ATOM 267 N ILE A 19 2.671 13.924 -11.536 1.00 0.00 N ATOM 268 CA ILE A 19 2.359 12.840 -12.506 1.00 0.00 C ATOM 269 C ILE A 19 3.663 12.590 -13.312 1.00 0.00 C ATOM 270 O ILE A 19 3.980 11.446 -13.659 1.00 0.00 O ATOM 271 CB ILE A 19 1.093 13.179 -13.381 1.00 0.00 C ATOM 272 CG1 ILE A 19 -0.126 12.253 -13.065 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.395 13.155 -14.904 1.00 0.00 C ATOM 274 CD1 ILE A 19 -1.067 12.742 -11.951 1.00 0.00 C ATOM 0 H ILE A 19 2.058 14.735 -11.618 1.00 0.00 H new ATOM 0 HA ILE A 19 2.069 11.915 -12.007 1.00 0.00 H new ATOM 0 HB ILE A 19 0.823 14.198 -13.104 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.709 12.127 -13.978 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.252 11.268 -12.789 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.488 13.395 -15.459 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.166 13.890 -15.134 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.743 12.163 -15.190 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.876 12.024 -11.817 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.509 12.839 -11.020 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.484 13.711 -12.226 1.00 0.00 H new ATOM 286 N ALA A 20 4.394 13.676 -13.626 1.00 0.00 N ATOM 287 CA ALA A 20 5.608 13.617 -14.485 1.00 0.00 C ATOM 288 C ALA A 20 6.659 12.664 -13.854 1.00 0.00 C ATOM 289 O ALA A 20 7.301 11.875 -14.559 1.00 0.00 O ATOM 290 CB ALA A 20 6.162 15.042 -14.672 1.00 0.00 C ATOM 0 H ALA A 20 4.168 14.615 -13.298 1.00 0.00 H new ATOM 0 HA ALA A 20 5.356 13.217 -15.467 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.052 15.007 -15.300 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.406 15.667 -15.148 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.421 15.462 -13.700 1.00 0.00 H new ATOM 296 N GLU A 21 6.843 12.773 -12.526 1.00 0.00 N ATOM 297 CA GLU A 21 7.885 12.014 -11.785 1.00 0.00 C ATOM 298 C GLU A 21 7.677 10.500 -12.061 1.00 0.00 C ATOM 299 O GLU A 21 8.644 9.736 -12.160 1.00 0.00 O ATOM 300 CB GLU A 21 7.849 12.383 -10.274 1.00 0.00 C ATOM 301 CG GLU A 21 8.438 11.342 -9.294 1.00 0.00 C ATOM 302 CD GLU A 21 8.116 11.613 -7.821 1.00 0.00 C ATOM 303 OE1 GLU A 21 8.858 12.382 -7.171 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.117 11.061 -7.309 1.00 0.00 O ATOM 0 H GLU A 21 6.281 13.384 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 21 8.885 12.279 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.388 13.321 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.812 12.568 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.061 10.355 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.521 11.314 -9.418 1.00 0.00 H new ATOM 311 N PHE A 22 6.402 10.087 -12.181 1.00 0.00 N ATOM 312 CA PHE A 22 6.024 8.666 -12.400 1.00 0.00 C ATOM 313 C PHE A 22 6.292 8.311 -13.889 1.00 0.00 C ATOM 314 O PHE A 22 6.639 7.169 -14.211 1.00 0.00 O ATOM 315 CB PHE A 22 4.540 8.423 -11.995 1.00 0.00 C ATOM 316 CG PHE A 22 4.236 8.563 -10.489 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.263 9.822 -9.877 1.00 0.00 C ATOM 318 CD2 PHE A 22 3.956 7.431 -9.714 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.009 9.946 -8.514 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.702 7.559 -8.350 1.00 0.00 C ATOM 321 CZ PHE A 22 3.744 8.814 -7.749 1.00 0.00 C ATOM 0 H PHE A 22 5.604 10.720 -12.130 1.00 0.00 H new ATOM 0 HA PHE A 22 6.626 8.012 -11.770 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.912 9.125 -12.542 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.253 7.422 -12.315 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.482 10.701 -10.465 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.937 6.455 -10.175 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.018 10.921 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.473 6.685 -7.759 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.571 8.909 -6.687 1.00 0.00 H new ATOM 331 N LYS A 23 6.094 9.298 -14.782 1.00 0.00 N ATOM 332 CA LYS A 23 6.257 9.121 -16.250 1.00 0.00 C ATOM 333 C LYS A 23 7.666 8.522 -16.507 1.00 0.00 C ATOM 334 O LYS A 23 7.818 7.582 -17.297 1.00 0.00 O ATOM 335 CB LYS A 23 6.074 10.468 -17.009 1.00 0.00 C ATOM 336 CG LYS A 23 5.096 10.474 -18.208 1.00 0.00 C ATOM 337 CD LYS A 23 4.017 11.576 -18.160 1.00 0.00 C ATOM 338 CE LYS A 23 4.587 12.978 -18.442 1.00 0.00 C ATOM 339 NZ LYS A 23 5.591 12.948 -19.519 1.00 0.00 N ATOM 0 H LYS A 23 5.817 10.242 -14.514 1.00 0.00 H new ATOM 0 HA LYS A 23 5.489 8.446 -16.627 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.736 11.217 -16.293 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.052 10.789 -17.368 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.671 10.589 -19.127 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.602 9.504 -18.260 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.240 11.350 -18.891 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.543 11.572 -17.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.776 13.652 -18.718 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.038 13.377 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.668 13.892 -19.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.513 12.670 -19.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.302 12.260 -20.244 1.00 0.00 H new ATOM 353 N ALA A 24 8.691 9.101 -15.854 1.00 0.00 N ATOM 354 CA ALA A 24 10.112 8.718 -16.072 1.00 0.00 C ATOM 355 C ALA A 24 10.291 7.193 -15.836 1.00 0.00 C ATOM 356 O ALA A 24 10.802 6.470 -16.701 1.00 0.00 O ATOM 357 CB ALA A 24 11.008 9.554 -15.138 1.00 0.00 C ATOM 0 H ALA A 24 8.567 9.842 -15.164 1.00 0.00 H new ATOM 0 HA ALA A 24 10.406 8.925 -17.101 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.051 9.279 -15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.876 10.613 -15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.732 9.362 -14.101 1.00 0.00 H new ATOM 363 N ALA A 25 9.877 6.724 -14.645 1.00 0.00 N ATOM 364 CA ALA A 25 10.054 5.311 -14.219 1.00 0.00 C ATOM 365 C ALA A 25 9.043 4.374 -14.938 1.00 0.00 C ATOM 366 O ALA A 25 9.201 3.145 -14.884 1.00 0.00 O ATOM 367 CB ALA A 25 9.907 5.232 -12.685 1.00 0.00 C ATOM 0 H ALA A 25 9.411 7.306 -13.948 1.00 0.00 H new ATOM 0 HA ALA A 25 11.050 4.969 -14.501 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.035 4.199 -12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.666 5.857 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.917 5.583 -12.396 1.00 0.00 H new ATOM 373 N PHE A 26 8.004 4.946 -15.573 1.00 0.00 N ATOM 374 CA PHE A 26 6.904 4.165 -16.202 1.00 0.00 C ATOM 375 C PHE A 26 7.474 3.440 -17.451 1.00 0.00 C ATOM 376 O PHE A 26 7.042 2.330 -17.788 1.00 0.00 O ATOM 377 CB PHE A 26 5.693 5.081 -16.557 1.00 0.00 C ATOM 378 CG PHE A 26 4.686 4.474 -17.558 1.00 0.00 C ATOM 379 CD1 PHE A 26 3.937 3.345 -17.208 1.00 0.00 C ATOM 380 CD2 PHE A 26 4.494 5.061 -18.815 1.00 0.00 C ATOM 381 CE1 PHE A 26 2.975 2.841 -18.080 1.00 0.00 C ATOM 382 CE2 PHE A 26 3.532 4.554 -19.686 1.00 0.00 C ATOM 383 CZ PHE A 26 2.780 3.440 -19.322 1.00 0.00 C ATOM 0 H PHE A 26 7.896 5.956 -15.669 1.00 0.00 H new ATOM 0 HA PHE A 26 6.525 3.422 -15.500 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.163 5.330 -15.637 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.073 6.016 -16.969 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.106 2.862 -16.257 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.094 5.909 -19.110 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.381 1.986 -17.793 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.369 5.025 -20.644 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.044 3.040 -20.004 1.00 0.00 H new ATOM 393 N ASP A 27 8.424 4.094 -18.146 1.00 0.00 N ATOM 394 CA ASP A 27 9.036 3.553 -19.389 1.00 0.00 C ATOM 395 C ASP A 27 9.944 2.349 -19.014 1.00 0.00 C ATOM 396 O ASP A 27 10.021 1.365 -19.760 1.00 0.00 O ATOM 397 CB ASP A 27 9.797 4.655 -20.181 1.00 0.00 C ATOM 398 CG ASP A 27 10.182 4.303 -21.628 1.00 0.00 C ATOM 399 OD1 ASP A 27 11.200 3.606 -21.833 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.463 4.720 -22.563 1.00 0.00 O ATOM 0 H ASP A 27 8.791 5.005 -17.870 1.00 0.00 H new ATOM 0 HA ASP A 27 8.253 3.201 -20.061 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.180 5.553 -20.199 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.707 4.904 -19.635 1.00 0.00 H new ATOM 405 N MET A 28 10.607 2.437 -17.843 1.00 0.00 N ATOM 406 CA MET A 28 11.503 1.361 -17.338 1.00 0.00 C ATOM 407 C MET A 28 10.644 0.081 -17.150 1.00 0.00 C ATOM 408 O MET A 28 10.948 -0.973 -17.719 1.00 0.00 O ATOM 409 CB MET A 28 12.231 1.778 -16.028 1.00 0.00 C ATOM 410 CG MET A 28 12.684 0.627 -15.111 1.00 0.00 C ATOM 411 SD MET A 28 13.951 1.211 -13.963 1.00 0.00 S ATOM 412 CE MET A 28 13.214 2.751 -13.377 1.00 0.00 C ATOM 0 H MET A 28 10.542 3.244 -17.222 1.00 0.00 H new ATOM 0 HA MET A 28 12.297 1.168 -18.059 1.00 0.00 H new ATOM 0 HB2 MET A 28 13.107 2.369 -16.295 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.568 2.430 -15.459 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.831 0.237 -14.556 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.076 -0.194 -15.711 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.678 3.041 -12.434 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.374 3.536 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.144 2.608 -13.226 1.00 0.00 H new ATOM 422 N PHE A 29 9.582 0.190 -16.327 1.00 0.00 N ATOM 423 CA PHE A 29 8.662 -0.944 -16.043 1.00 0.00 C ATOM 424 C PHE A 29 8.177 -1.532 -17.397 1.00 0.00 C ATOM 425 O PHE A 29 7.976 -2.746 -17.522 1.00 0.00 O ATOM 426 CB PHE A 29 7.473 -0.487 -15.147 1.00 0.00 C ATOM 427 CG PHE A 29 6.825 -1.595 -14.293 1.00 0.00 C ATOM 428 CD1 PHE A 29 7.362 -2.888 -14.282 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.701 -1.314 -13.507 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.760 -3.892 -13.527 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.101 -2.321 -12.753 1.00 0.00 C ATOM 432 CZ PHE A 29 5.622 -3.612 -12.776 1.00 0.00 C ATOM 0 H PHE A 29 9.334 1.053 -15.843 1.00 0.00 H new ATOM 0 HA PHE A 29 9.186 -1.720 -15.485 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.824 0.302 -14.482 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.706 -0.049 -15.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.247 -3.108 -14.861 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.297 -0.313 -13.485 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.177 -4.888 -13.524 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.232 -2.100 -12.151 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.142 -4.397 -12.210 1.00 0.00 H new ATOM 442 N ASP A 30 7.966 -0.649 -18.390 1.00 0.00 N ATOM 443 CA ASP A 30 7.442 -1.039 -19.726 1.00 0.00 C ATOM 444 C ASP A 30 8.610 -1.620 -20.569 1.00 0.00 C ATOM 445 O ASP A 30 9.786 -1.366 -20.278 1.00 0.00 O ATOM 446 CB ASP A 30 6.726 0.149 -20.432 1.00 0.00 C ATOM 447 CG ASP A 30 5.738 -0.225 -21.550 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.152 -1.328 -21.497 1.00 0.00 O ATOM 449 OD2 ASP A 30 5.548 0.585 -22.484 1.00 0.00 O ATOM 0 H ASP A 30 8.150 0.350 -18.297 1.00 0.00 H new ATOM 0 HA ASP A 30 6.680 -1.810 -19.610 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.189 0.723 -19.677 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.486 0.807 -20.852 1.00 0.00 H new ATOM 454 N ALA A 31 8.267 -2.378 -21.627 1.00 0.00 N ATOM 455 CA ALA A 31 9.262 -3.008 -22.535 1.00 0.00 C ATOM 456 C ALA A 31 9.033 -2.523 -23.992 1.00 0.00 C ATOM 457 O ALA A 31 9.991 -2.259 -24.728 1.00 0.00 O ATOM 458 CB ALA A 31 9.155 -4.541 -22.414 1.00 0.00 C ATOM 0 H ALA A 31 7.299 -2.574 -21.881 1.00 0.00 H new ATOM 0 HA ALA A 31 10.272 -2.713 -22.251 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.882 -5.010 -23.077 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.357 -4.840 -21.385 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.151 -4.859 -22.694 1.00 0.00 H new ATOM 464 N ASP A 32 7.751 -2.443 -24.396 1.00 0.00 N ATOM 465 CA ASP A 32 7.348 -1.989 -25.754 1.00 0.00 C ATOM 466 C ASP A 32 7.107 -0.456 -25.716 1.00 0.00 C ATOM 467 O ASP A 32 6.041 0.028 -26.116 1.00 0.00 O ATOM 468 CB ASP A 32 6.113 -2.778 -26.281 1.00 0.00 C ATOM 469 CG ASP A 32 5.913 -4.188 -25.698 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.391 -4.309 -24.568 1.00 0.00 O ATOM 471 OD2 ASP A 32 6.286 -5.176 -26.369 1.00 0.00 O ATOM 0 H ASP A 32 6.963 -2.689 -23.797 1.00 0.00 H new ATOM 0 HA ASP A 32 8.149 -2.197 -26.463 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.218 -2.191 -26.076 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.197 -2.863 -27.364 1.00 0.00 H new ATOM 476 N GLY A 33 8.124 0.299 -25.259 1.00 0.00 N ATOM 477 CA GLY A 33 8.088 1.786 -25.257 1.00 0.00 C ATOM 478 C GLY A 33 7.527 2.342 -23.922 1.00 0.00 C ATOM 479 O GLY A 33 8.189 2.287 -22.879 1.00 0.00 O ATOM 0 H GLY A 33 8.988 -0.093 -24.883 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.093 2.175 -25.420 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.472 2.137 -26.085 1.00 0.00 H new ATOM 483 N GLY A 34 6.305 2.909 -23.978 1.00 0.00 N ATOM 484 CA GLY A 34 5.659 3.543 -22.801 1.00 0.00 C ATOM 485 C GLY A 34 4.180 3.878 -23.116 1.00 0.00 C ATOM 486 O GLY A 34 3.685 4.962 -22.787 1.00 0.00 O ATOM 0 H GLY A 34 5.741 2.943 -24.827 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.713 2.873 -21.943 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.195 4.452 -22.529 1.00 0.00 H new ATOM 490 N GLY A 35 3.480 2.925 -23.765 1.00 0.00 N ATOM 491 CA GLY A 35 2.051 3.086 -24.132 1.00 0.00 C ATOM 492 C GLY A 35 1.148 2.351 -23.108 1.00 0.00 C ATOM 493 O GLY A 35 0.174 2.920 -22.600 1.00 0.00 O ATOM 0 H GLY A 35 3.880 2.031 -24.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.793 4.145 -24.161 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.878 2.688 -25.132 1.00 0.00 H new ATOM 497 N ASP A 36 1.486 1.079 -22.822 1.00 0.00 N ATOM 498 CA ASP A 36 0.795 0.260 -21.792 1.00 0.00 C ATOM 499 C ASP A 36 1.699 -0.951 -21.430 1.00 0.00 C ATOM 500 O ASP A 36 2.413 -1.483 -22.287 1.00 0.00 O ATOM 501 CB ASP A 36 -0.626 -0.170 -22.258 1.00 0.00 C ATOM 502 CG ASP A 36 -0.967 0.108 -23.732 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.341 -0.504 -24.625 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.858 0.944 -23.999 1.00 0.00 O ATOM 0 H ASP A 36 2.244 0.586 -23.294 1.00 0.00 H new ATOM 0 HA ASP A 36 0.637 0.857 -20.894 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.738 -1.239 -22.075 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.361 0.339 -21.634 1.00 0.00 H new ATOM 509 N ILE A 37 1.675 -1.353 -20.145 1.00 0.00 N ATOM 510 CA ILE A 37 2.545 -2.431 -19.600 1.00 0.00 C ATOM 511 C ILE A 37 1.772 -3.777 -19.635 1.00 0.00 C ATOM 512 O ILE A 37 0.735 -3.920 -18.969 1.00 0.00 O ATOM 513 CB ILE A 37 3.141 -2.114 -18.177 1.00 0.00 C ATOM 514 CG1 ILE A 37 3.617 -0.642 -17.962 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.244 -3.133 -17.795 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.906 -0.239 -16.506 1.00 0.00 C ATOM 0 H ILE A 37 1.053 -0.943 -19.448 1.00 0.00 H new ATOM 0 HA ILE A 37 3.423 -2.504 -20.242 1.00 0.00 H new ATOM 0 HB ILE A 37 2.300 -2.224 -17.493 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.521 -0.483 -18.550 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.855 0.028 -18.361 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.638 -2.890 -16.808 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.822 -4.138 -17.780 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.050 -3.089 -18.528 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.229 0.802 -16.474 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.001 -0.357 -15.909 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.693 -0.876 -16.102 1.00 0.00 H new ATOM 528 N SER A 38 2.292 -4.768 -20.383 1.00 0.00 N ATOM 529 CA SER A 38 1.718 -6.140 -20.419 1.00 0.00 C ATOM 530 C SER A 38 2.138 -6.915 -19.140 1.00 0.00 C ATOM 531 O SER A 38 2.939 -6.420 -18.338 1.00 0.00 O ATOM 532 CB SER A 38 2.165 -6.852 -21.716 1.00 0.00 C ATOM 533 OG SER A 38 1.300 -6.543 -22.804 1.00 0.00 O ATOM 0 H SER A 38 3.113 -4.650 -20.976 1.00 0.00 H new ATOM 0 HA SER A 38 0.629 -6.097 -20.429 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.184 -6.554 -21.964 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.178 -7.930 -21.555 1.00 0.00 H new ATOM 0 HG SER A 38 1.610 -7.007 -23.610 1.00 0.00 H new ATOM 539 N THR A 39 1.605 -8.143 -18.988 1.00 0.00 N ATOM 540 CA THR A 39 1.898 -9.022 -17.824 1.00 0.00 C ATOM 541 C THR A 39 3.370 -9.508 -17.924 1.00 0.00 C ATOM 542 O THR A 39 4.027 -9.746 -16.902 1.00 0.00 O ATOM 543 CB THR A 39 0.882 -10.201 -17.701 1.00 0.00 C ATOM 544 OG1 THR A 39 0.387 -10.575 -18.985 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.327 -9.932 -16.786 1.00 0.00 C ATOM 0 H THR A 39 0.961 -8.558 -19.662 1.00 0.00 H new ATOM 0 HA THR A 39 1.778 -8.450 -16.904 1.00 0.00 H new ATOM 0 HB THR A 39 1.460 -11.002 -17.239 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.247 -11.316 -18.888 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.972 -10.810 -16.768 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.022 -9.717 -15.776 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.888 -9.078 -17.166 1.00 0.00 H new ATOM 553 N LYS A 40 3.874 -9.655 -19.164 1.00 0.00 N ATOM 554 CA LYS A 40 5.265 -10.114 -19.425 1.00 0.00 C ATOM 555 C LYS A 40 6.244 -9.272 -18.562 1.00 0.00 C ATOM 556 O LYS A 40 6.872 -9.791 -17.631 1.00 0.00 O ATOM 557 CB LYS A 40 5.551 -10.036 -20.953 1.00 0.00 C ATOM 558 CG LYS A 40 6.948 -10.509 -21.427 1.00 0.00 C ATOM 559 CD LYS A 40 7.131 -10.935 -22.905 1.00 0.00 C ATOM 560 CE LYS A 40 6.017 -10.521 -23.890 1.00 0.00 C ATOM 561 NZ LYS A 40 5.644 -11.581 -24.844 1.00 0.00 N ATOM 0 H LYS A 40 3.339 -9.463 -20.011 1.00 0.00 H new ATOM 0 HA LYS A 40 5.405 -11.155 -19.135 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.798 -10.630 -21.470 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.416 -9.002 -21.272 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.655 -9.704 -21.226 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.240 -11.353 -20.802 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.073 -10.521 -23.264 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.227 -12.020 -22.937 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.134 -10.228 -23.323 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.344 -9.643 -24.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.892 -11.233 -25.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.475 -11.846 -25.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.301 -12.413 -24.322 1.00 0.00 H new ATOM 575 N GLU A 41 6.384 -7.979 -18.907 1.00 0.00 N ATOM 576 CA GLU A 41 7.365 -7.062 -18.266 1.00 0.00 C ATOM 577 C GLU A 41 6.924 -6.769 -16.806 1.00 0.00 C ATOM 578 O GLU A 41 7.765 -6.543 -15.926 1.00 0.00 O ATOM 579 CB GLU A 41 7.550 -5.765 -19.106 1.00 0.00 C ATOM 580 CG GLU A 41 7.241 -5.839 -20.623 1.00 0.00 C ATOM 581 CD GLU A 41 5.933 -5.153 -21.032 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.542 -4.159 -20.382 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.293 -5.606 -22.007 1.00 0.00 O ATOM 0 H GLU A 41 5.825 -7.534 -19.635 1.00 0.00 H new ATOM 0 HA GLU A 41 8.342 -7.543 -18.230 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.917 -4.991 -18.672 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.582 -5.434 -18.990 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.065 -5.383 -21.173 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.198 -6.886 -20.923 1.00 0.00 H new ATOM 590 N LEU A 42 5.599 -6.743 -16.571 1.00 0.00 N ATOM 591 CA LEU A 42 5.012 -6.366 -15.257 1.00 0.00 C ATOM 592 C LEU A 42 5.683 -7.225 -14.153 1.00 0.00 C ATOM 593 O LEU A 42 5.859 -6.765 -13.016 1.00 0.00 O ATOM 594 CB LEU A 42 3.463 -6.552 -15.270 1.00 0.00 C ATOM 595 CG LEU A 42 2.698 -6.284 -13.941 1.00 0.00 C ATOM 596 CD1 LEU A 42 2.515 -4.773 -13.696 1.00 0.00 C ATOM 597 CD2 LEU A 42 1.329 -6.993 -13.894 1.00 0.00 C ATOM 0 H LEU A 42 4.903 -6.980 -17.278 1.00 0.00 H new ATOM 0 HA LEU A 42 5.201 -5.312 -15.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.051 -5.893 -16.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.249 -7.574 -15.581 1.00 0.00 H new ATOM 0 HG LEU A 42 3.315 -6.701 -13.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.977 -4.619 -12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.492 -4.293 -13.637 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.946 -4.337 -14.517 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.838 -6.773 -12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.707 -6.638 -14.716 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.473 -8.069 -13.986 1.00 0.00 H new ATOM 609 N GLY A 43 6.029 -8.483 -14.486 1.00 0.00 N ATOM 610 CA GLY A 43 6.567 -9.462 -13.510 1.00 0.00 C ATOM 611 C GLY A 43 8.113 -9.396 -13.433 1.00 0.00 C ATOM 612 O GLY A 43 8.703 -9.726 -12.394 1.00 0.00 O ATOM 0 H GLY A 43 5.946 -8.852 -15.433 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.144 -9.265 -12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.258 -10.468 -13.794 1.00 0.00 H new ATOM 616 N THR A 44 8.758 -8.982 -14.539 1.00 0.00 N ATOM 617 CA THR A 44 10.240 -8.976 -14.667 1.00 0.00 C ATOM 618 C THR A 44 10.837 -7.928 -13.687 1.00 0.00 C ATOM 619 O THR A 44 11.630 -8.269 -12.800 1.00 0.00 O ATOM 620 CB THR A 44 10.697 -8.744 -16.142 1.00 0.00 C ATOM 621 OG1 THR A 44 9.885 -9.491 -17.045 1.00 0.00 O ATOM 622 CG2 THR A 44 12.170 -9.086 -16.434 1.00 0.00 C ATOM 0 H THR A 44 8.275 -8.642 -15.371 1.00 0.00 H new ATOM 0 HA THR A 44 10.623 -9.959 -14.393 1.00 0.00 H new ATOM 0 HB THR A 44 10.584 -7.670 -16.288 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.186 -9.331 -17.964 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.388 -8.891 -17.484 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.817 -8.471 -15.809 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.349 -10.139 -16.216 1.00 0.00 H new ATOM 630 N VAL A 45 10.467 -6.649 -13.882 1.00 0.00 N ATOM 631 CA VAL A 45 11.032 -5.500 -13.126 1.00 0.00 C ATOM 632 C VAL A 45 10.961 -5.836 -11.612 1.00 0.00 C ATOM 633 O VAL A 45 11.924 -5.594 -10.870 1.00 0.00 O ATOM 634 CB VAL A 45 10.326 -4.146 -13.502 1.00 0.00 C ATOM 635 CG1 VAL A 45 9.913 -3.321 -12.259 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.162 -3.231 -14.430 1.00 0.00 C ATOM 0 H VAL A 45 9.765 -6.375 -14.570 1.00 0.00 H new ATOM 0 HA VAL A 45 12.076 -5.347 -13.398 1.00 0.00 H new ATOM 0 HB VAL A 45 9.439 -4.469 -14.046 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.431 -2.397 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.219 -3.901 -11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.799 -3.083 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.604 -2.319 -14.641 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.101 -2.976 -13.939 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.370 -3.753 -15.364 1.00 0.00 H new ATOM 646 N MET A 46 9.809 -6.364 -11.159 1.00 0.00 N ATOM 647 CA MET A 46 9.544 -6.622 -9.717 1.00 0.00 C ATOM 648 C MET A 46 10.565 -7.674 -9.206 1.00 0.00 C ATOM 649 O MET A 46 11.277 -7.434 -8.221 1.00 0.00 O ATOM 650 CB MET A 46 8.073 -7.072 -9.485 1.00 0.00 C ATOM 651 CG MET A 46 7.103 -5.968 -9.020 1.00 0.00 C ATOM 652 SD MET A 46 6.565 -6.286 -7.326 1.00 0.00 S ATOM 653 CE MET A 46 6.984 -4.725 -6.523 1.00 0.00 C ATOM 0 H MET A 46 9.036 -6.625 -11.771 1.00 0.00 H new ATOM 0 HA MET A 46 9.672 -5.701 -9.148 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.692 -7.498 -10.413 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.069 -7.870 -8.743 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.592 -4.996 -9.078 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.239 -5.930 -9.683 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.709 -4.772 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.056 -4.547 -6.610 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.441 -3.911 -7.004 1.00 0.00 H new ATOM 663 N ARG A 47 10.612 -8.842 -9.875 1.00 0.00 N ATOM 664 CA ARG A 47 11.441 -9.995 -9.440 1.00 0.00 C ATOM 665 C ARG A 47 12.886 -9.877 -10.001 1.00 0.00 C ATOM 666 O ARG A 47 13.656 -10.846 -9.894 1.00 0.00 O ATOM 667 CB ARG A 47 10.781 -11.331 -9.895 1.00 0.00 C ATOM 668 CG ARG A 47 9.468 -11.693 -9.164 1.00 0.00 C ATOM 669 CD ARG A 47 9.282 -10.934 -7.835 1.00 0.00 C ATOM 670 NE ARG A 47 9.381 -11.835 -6.658 1.00 0.00 N ATOM 671 CZ ARG A 47 8.655 -12.959 -6.479 1.00 0.00 C ATOM 672 NH1 ARG A 47 7.745 -13.405 -7.344 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.859 -13.660 -5.379 1.00 0.00 N ATOM 0 H ARG A 47 10.081 -9.018 -10.728 1.00 0.00 H new ATOM 0 HA ARG A 47 11.501 -9.989 -8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.580 -11.274 -10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.496 -12.141 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.624 -11.477 -9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.453 -12.765 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.037 -10.151 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.310 -10.441 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 47 10.049 -11.585 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.562 -12.888 -8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.231 -14.264 -7.146 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.548 -13.347 -4.695 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.327 -14.514 -5.213 1.00 0.00 H new ATOM 687 N MET A 48 13.256 -8.708 -10.555 1.00 0.00 N ATOM 688 CA MET A 48 14.623 -8.467 -11.096 1.00 0.00 C ATOM 689 C MET A 48 15.639 -8.819 -9.974 1.00 0.00 C ATOM 690 O MET A 48 16.739 -9.311 -10.250 1.00 0.00 O ATOM 691 CB MET A 48 14.802 -7.013 -11.615 1.00 0.00 C ATOM 692 CG MET A 48 14.675 -6.823 -13.138 1.00 0.00 C ATOM 693 SD MET A 48 16.183 -6.078 -13.798 1.00 0.00 S ATOM 694 CE MET A 48 16.431 -4.708 -12.649 1.00 0.00 C ATOM 0 H MET A 48 12.631 -7.907 -10.644 1.00 0.00 H new ATOM 0 HA MET A 48 14.795 -9.101 -11.966 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.062 -6.379 -11.126 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.783 -6.655 -11.304 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.495 -7.785 -13.619 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.818 -6.188 -13.363 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.899 -3.874 -13.172 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.468 -4.390 -12.248 1.00 0.00 H new ATOM 0 HE3 MET A 48 17.076 -5.031 -11.832 1.00 0.00 H new ATOM 704 N LEU A 49 15.238 -8.585 -8.710 1.00 0.00 N ATOM 705 CA LEU A 49 16.086 -8.863 -7.520 1.00 0.00 C ATOM 706 C LEU A 49 15.582 -10.176 -6.863 1.00 0.00 C ATOM 707 O LEU A 49 14.925 -10.151 -5.815 1.00 0.00 O ATOM 708 CB LEU A 49 16.048 -7.666 -6.521 1.00 0.00 C ATOM 709 CG LEU A 49 14.854 -6.674 -6.641 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.485 -6.026 -5.290 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.142 -5.578 -7.687 1.00 0.00 C ATOM 0 H LEU A 49 14.322 -8.200 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 49 17.127 -8.986 -7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.050 -8.071 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 16.971 -7.099 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 49 13.999 -7.265 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.647 -5.343 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.205 -6.803 -4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.342 -5.473 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.290 -4.901 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.030 -5.019 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.310 -6.039 -8.660 1.00 0.00 H new ATOM 723 N GLY A 50 15.924 -11.329 -7.476 1.00 0.00 N ATOM 724 CA GLY A 50 15.612 -12.662 -6.903 1.00 0.00 C ATOM 725 C GLY A 50 15.673 -13.768 -7.988 1.00 0.00 C ATOM 726 O GLY A 50 16.672 -14.492 -8.094 1.00 0.00 O ATOM 0 H GLY A 50 16.417 -11.367 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.318 -12.892 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.619 -12.644 -6.454 1.00 0.00 H new ATOM 730 N GLN A 51 14.582 -13.906 -8.766 1.00 0.00 N ATOM 731 CA GLN A 51 14.422 -14.988 -9.773 1.00 0.00 C ATOM 732 C GLN A 51 13.580 -14.434 -10.955 1.00 0.00 C ATOM 733 O GLN A 51 13.428 -13.217 -11.110 1.00 0.00 O ATOM 734 CB GLN A 51 13.775 -16.241 -9.116 1.00 0.00 C ATOM 735 CG GLN A 51 12.265 -16.140 -8.789 1.00 0.00 C ATOM 736 CD GLN A 51 11.813 -16.999 -7.595 1.00 0.00 C ATOM 737 OE1 GLN A 51 12.614 -17.691 -6.966 1.00 0.00 O ATOM 738 NE2 GLN A 51 10.532 -16.978 -7.259 1.00 0.00 N ATOM 0 H GLN A 51 13.783 -13.273 -8.719 1.00 0.00 H new ATOM 0 HA GLN A 51 15.391 -15.306 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.925 -17.092 -9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 51 14.311 -16.459 -8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.019 -15.098 -8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.695 -16.435 -9.670 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.876 -16.402 -7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.202 -17.538 -6.473 1.00 0.00 H new ATOM 747 N ASN A 52 13.035 -15.349 -11.783 1.00 0.00 N ATOM 748 CA ASN A 52 12.114 -14.986 -12.891 1.00 0.00 C ATOM 749 C ASN A 52 10.831 -15.896 -12.861 1.00 0.00 C ATOM 750 O ASN A 52 10.832 -16.943 -13.518 1.00 0.00 O ATOM 751 CB ASN A 52 12.887 -15.083 -14.238 1.00 0.00 C ATOM 752 CG ASN A 52 12.160 -14.471 -15.478 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.635 -14.558 -16.607 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.008 -13.863 -15.252 1.00 0.00 N ATOM 0 H ASN A 52 13.215 -16.350 -11.708 1.00 0.00 H new ATOM 0 HA ASN A 52 11.765 -13.960 -12.774 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.849 -14.585 -14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.095 -16.133 -14.443 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.489 -13.450 -16.027 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.639 -13.807 -14.303 1.00 0.00 H new ATOM 761 N PRO A 53 9.725 -15.550 -12.126 1.00 0.00 N ATOM 762 CA PRO A 53 8.452 -16.312 -12.147 1.00 0.00 C ATOM 763 C PRO A 53 8.001 -16.658 -13.594 1.00 0.00 C ATOM 764 O PRO A 53 8.505 -16.084 -14.567 1.00 0.00 O ATOM 765 CB PRO A 53 7.489 -15.364 -11.403 1.00 0.00 C ATOM 766 CG PRO A 53 8.349 -14.472 -10.505 1.00 0.00 C ATOM 767 CD PRO A 53 9.686 -14.365 -11.228 1.00 0.00 C ATOM 0 HA PRO A 53 8.513 -17.293 -11.676 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.916 -14.763 -12.109 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.771 -15.930 -10.810 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.893 -13.491 -10.369 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.469 -14.908 -9.513 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.757 -13.436 -11.794 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.519 -14.374 -10.524 1.00 0.00 H new ATOM 775 N THR A 54 7.026 -17.578 -13.711 1.00 0.00 N ATOM 776 CA THR A 54 6.478 -18.019 -15.022 1.00 0.00 C ATOM 777 C THR A 54 5.411 -16.990 -15.487 1.00 0.00 C ATOM 778 O THR A 54 4.899 -16.205 -14.680 1.00 0.00 O ATOM 779 CB THR A 54 5.925 -19.478 -14.967 1.00 0.00 C ATOM 780 OG1 THR A 54 6.271 -20.193 -16.151 1.00 0.00 O ATOM 781 CG2 THR A 54 4.402 -19.596 -14.768 1.00 0.00 C ATOM 0 H THR A 54 6.594 -18.038 -12.910 1.00 0.00 H new ATOM 0 HA THR A 54 7.281 -18.048 -15.759 1.00 0.00 H new ATOM 0 HB THR A 54 6.396 -19.906 -14.082 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.917 -21.105 -16.097 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.119 -20.648 -14.744 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.120 -19.122 -13.828 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.888 -19.101 -15.592 1.00 0.00 H new ATOM 789 N LYS A 55 5.113 -16.990 -16.799 1.00 0.00 N ATOM 790 CA LYS A 55 4.198 -15.999 -17.426 1.00 0.00 C ATOM 791 C LYS A 55 2.748 -16.332 -16.977 1.00 0.00 C ATOM 792 O LYS A 55 1.931 -15.429 -16.761 1.00 0.00 O ATOM 793 CB LYS A 55 4.364 -16.013 -18.976 1.00 0.00 C ATOM 794 CG LYS A 55 3.074 -15.914 -19.826 1.00 0.00 C ATOM 795 CD LYS A 55 2.745 -17.167 -20.669 1.00 0.00 C ATOM 796 CE LYS A 55 2.156 -18.346 -19.870 1.00 0.00 C ATOM 797 NZ LYS A 55 1.260 -19.205 -20.670 1.00 0.00 N ATOM 0 H LYS A 55 5.493 -17.670 -17.457 1.00 0.00 H new ATOM 0 HA LYS A 55 4.439 -14.986 -17.103 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.016 -15.185 -19.254 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.881 -16.932 -19.252 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.234 -15.712 -19.161 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.164 -15.058 -20.495 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.039 -16.887 -21.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.655 -17.502 -21.167 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.972 -18.952 -19.475 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.605 -17.956 -19.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.274 -19.041 -20.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.369 -18.976 -21.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.505 -20.203 -20.513 1.00 0.00 H new ATOM 811 N GLU A 56 2.449 -17.637 -16.844 1.00 0.00 N ATOM 812 CA GLU A 56 1.081 -18.128 -16.529 1.00 0.00 C ATOM 813 C GLU A 56 0.634 -17.501 -15.181 1.00 0.00 C ATOM 814 O GLU A 56 -0.476 -16.968 -15.068 1.00 0.00 O ATOM 815 CB GLU A 56 1.051 -19.683 -16.535 1.00 0.00 C ATOM 816 CG GLU A 56 0.815 -20.365 -17.904 1.00 0.00 C ATOM 817 CD GLU A 56 0.304 -21.806 -17.808 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.601 -22.488 -16.802 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.396 -22.263 -18.738 1.00 0.00 O ATOM 0 H GLU A 56 3.138 -18.382 -16.950 1.00 0.00 H new ATOM 0 HA GLU A 56 0.366 -17.818 -17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.998 -20.044 -16.133 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.268 -20.012 -15.851 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.097 -19.774 -18.473 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.749 -20.359 -18.466 1.00 0.00 H new ATOM 826 N GLU A 57 1.503 -17.604 -14.158 1.00 0.00 N ATOM 827 CA GLU A 57 1.189 -17.156 -12.775 1.00 0.00 C ATOM 828 C GLU A 57 1.096 -15.607 -12.754 1.00 0.00 C ATOM 829 O GLU A 57 0.321 -15.030 -11.982 1.00 0.00 O ATOM 830 CB GLU A 57 2.225 -17.710 -11.755 1.00 0.00 C ATOM 831 CG GLU A 57 2.284 -17.047 -10.356 1.00 0.00 C ATOM 832 CD GLU A 57 3.253 -15.864 -10.262 1.00 0.00 C ATOM 833 OE1 GLU A 57 4.191 -15.784 -11.085 1.00 0.00 O ATOM 834 OE2 GLU A 57 3.078 -15.008 -9.366 1.00 0.00 O ATOM 0 H GLU A 57 2.439 -17.997 -14.259 1.00 0.00 H new ATOM 0 HA GLU A 57 0.224 -17.559 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.023 -18.772 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.214 -17.631 -12.206 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.285 -16.706 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.574 -17.799 -9.622 1.00 0.00 H new ATOM 841 N LEU A 58 1.917 -14.946 -13.593 1.00 0.00 N ATOM 842 CA LEU A 58 1.939 -13.464 -13.706 1.00 0.00 C ATOM 843 C LEU A 58 0.527 -12.971 -14.124 1.00 0.00 C ATOM 844 O LEU A 58 0.066 -11.917 -13.670 1.00 0.00 O ATOM 845 CB LEU A 58 3.068 -13.056 -14.697 1.00 0.00 C ATOM 846 CG LEU A 58 4.156 -12.086 -14.156 1.00 0.00 C ATOM 847 CD1 LEU A 58 3.719 -10.606 -14.192 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.563 -12.475 -12.721 1.00 0.00 C ATOM 0 H LEU A 58 2.581 -15.415 -14.209 1.00 0.00 H new ATOM 0 HA LEU A 58 2.167 -12.985 -12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.563 -13.964 -15.041 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.605 -12.595 -15.569 1.00 0.00 H new ATOM 0 HG LEU A 58 5.013 -12.184 -14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.521 -9.980 -13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.500 -10.316 -15.220 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.826 -10.475 -13.580 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.325 -11.785 -12.359 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.691 -12.426 -12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.961 -13.490 -12.718 1.00 0.00 H new ATOM 860 N ASP A 59 -0.154 -13.766 -14.969 1.00 0.00 N ATOM 861 CA ASP A 59 -1.488 -13.415 -15.525 1.00 0.00 C ATOM 862 C ASP A 59 -2.521 -13.384 -14.366 1.00 0.00 C ATOM 863 O ASP A 59 -3.499 -12.628 -14.413 1.00 0.00 O ATOM 864 CB ASP A 59 -1.904 -14.380 -16.673 1.00 0.00 C ATOM 865 CG ASP A 59 -3.239 -14.067 -17.369 1.00 0.00 C ATOM 866 OD1 ASP A 59 -4.308 -14.359 -16.788 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.222 -13.521 -18.495 1.00 0.00 O ATOM 0 H ASP A 59 0.197 -14.668 -15.289 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.446 -12.425 -15.978 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.116 -14.378 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.956 -15.391 -16.269 1.00 0.00 H new ATOM 872 N ALA A 60 -2.299 -14.230 -13.342 1.00 0.00 N ATOM 873 CA ALA A 60 -3.192 -14.319 -12.156 1.00 0.00 C ATOM 874 C ALA A 60 -3.099 -13.011 -11.322 1.00 0.00 C ATOM 875 O ALA A 60 -4.103 -12.540 -10.776 1.00 0.00 O ATOM 876 CB ALA A 60 -2.807 -15.560 -11.327 1.00 0.00 C ATOM 0 H ALA A 60 -1.504 -14.869 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.229 -14.429 -12.472 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.458 -15.632 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.920 -16.455 -11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.771 -15.472 -11.000 1.00 0.00 H new ATOM 882 N ILE A 61 -1.881 -12.446 -11.238 1.00 0.00 N ATOM 883 CA ILE A 61 -1.590 -11.256 -10.395 1.00 0.00 C ATOM 884 C ILE A 61 -2.491 -10.110 -10.936 1.00 0.00 C ATOM 885 O ILE A 61 -3.158 -9.416 -10.158 1.00 0.00 O ATOM 886 CB ILE A 61 -0.051 -10.925 -10.353 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.653 -11.488 -9.077 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.236 -9.405 -10.491 1.00 0.00 C ATOM 889 CD1 ILE A 61 1.349 -10.449 -8.182 1.00 0.00 C ATOM 0 H ILE A 61 -1.069 -12.794 -11.748 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.829 -11.430 -9.346 1.00 0.00 H new ATOM 0 HB ILE A 61 0.372 -11.430 -11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.090 -12.016 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.393 -12.225 -9.389 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.312 -9.233 -10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.158 -9.045 -11.442 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.244 -8.868 -9.673 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.803 -10.951 -7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.122 -9.936 -8.754 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.616 -9.723 -7.829 1.00 0.00 H new ATOM 901 N ILE A 62 -2.495 -9.928 -12.269 1.00 0.00 N ATOM 902 CA ILE A 62 -3.213 -8.813 -12.945 1.00 0.00 C ATOM 903 C ILE A 62 -4.729 -9.088 -12.746 1.00 0.00 C ATOM 904 O ILE A 62 -5.513 -8.154 -12.532 1.00 0.00 O ATOM 905 CB ILE A 62 -2.759 -8.646 -14.444 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.328 -8.033 -14.576 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.770 -7.820 -15.285 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.045 -7.267 -15.879 1.00 0.00 C ATOM 0 H ILE A 62 -2.003 -10.545 -12.915 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.970 -7.844 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.730 -9.658 -14.847 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.164 -7.357 -13.737 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.599 -8.838 -14.484 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.408 -7.736 -16.310 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.739 -8.319 -15.282 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.874 -6.824 -14.854 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.024 -6.886 -15.862 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.168 -7.938 -16.729 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.742 -6.434 -15.970 1.00 0.00 H new ATOM 920 N GLU A 63 -5.118 -10.377 -12.789 1.00 0.00 N ATOM 921 CA GLU A 63 -6.534 -10.801 -12.617 1.00 0.00 C ATOM 922 C GLU A 63 -7.086 -10.139 -11.324 1.00 0.00 C ATOM 923 O GLU A 63 -8.214 -9.633 -11.305 1.00 0.00 O ATOM 924 CB GLU A 63 -6.649 -12.353 -12.617 1.00 0.00 C ATOM 925 CG GLU A 63 -7.286 -12.997 -13.872 1.00 0.00 C ATOM 926 CD GLU A 63 -8.038 -14.302 -13.593 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.913 -14.318 -12.699 1.00 0.00 O ATOM 928 OE2 GLU A 63 -7.760 -15.317 -14.270 1.00 0.00 O ATOM 0 H GLU A 63 -4.472 -11.152 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.145 -10.466 -13.455 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.650 -12.769 -12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.232 -12.652 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.975 -12.283 -14.324 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.503 -13.191 -14.605 1.00 0.00 H new ATOM 935 N GLU A 64 -6.283 -10.182 -10.245 1.00 0.00 N ATOM 936 CA GLU A 64 -6.694 -9.684 -8.906 1.00 0.00 C ATOM 937 C GLU A 64 -7.259 -8.246 -9.070 1.00 0.00 C ATOM 938 O GLU A 64 -8.330 -7.924 -8.544 1.00 0.00 O ATOM 939 CB GLU A 64 -5.505 -9.777 -7.908 1.00 0.00 C ATOM 940 CG GLU A 64 -5.853 -10.164 -6.451 1.00 0.00 C ATOM 941 CD GLU A 64 -6.046 -8.969 -5.513 1.00 0.00 C ATOM 942 OE1 GLU A 64 -7.165 -8.412 -5.464 1.00 0.00 O ATOM 943 OE2 GLU A 64 -5.078 -8.579 -4.823 1.00 0.00 O ATOM 0 H GLU A 64 -5.336 -10.559 -10.269 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.484 -10.303 -8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.793 -10.506 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.997 -8.813 -7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.765 -10.761 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.059 -10.797 -6.056 1.00 0.00 H new ATOM 950 N VAL A 65 -6.531 -7.402 -9.825 1.00 0.00 N ATOM 951 CA VAL A 65 -6.970 -6.021 -10.161 1.00 0.00 C ATOM 952 C VAL A 65 -7.480 -6.038 -11.628 1.00 0.00 C ATOM 953 O VAL A 65 -7.951 -7.073 -12.119 1.00 0.00 O ATOM 954 CB VAL A 65 -5.839 -4.965 -9.895 1.00 0.00 C ATOM 955 CG1 VAL A 65 -4.856 -4.827 -11.082 1.00 0.00 C ATOM 956 CG2 VAL A 65 -6.360 -3.551 -9.537 1.00 0.00 C ATOM 0 H VAL A 65 -5.624 -7.650 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.785 -5.705 -9.510 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.320 -5.371 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.096 -4.083 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.376 -5.787 -11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.402 -4.513 -11.972 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.515 -2.884 -9.369 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.967 -3.168 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.965 -3.605 -8.632 1.00 0.00 H new ATOM 966 N ASP A 66 -7.382 -4.885 -12.316 1.00 0.00 N ATOM 967 CA ASP A 66 -7.828 -4.746 -13.729 1.00 0.00 C ATOM 968 C ASP A 66 -9.366 -4.956 -13.786 1.00 0.00 C ATOM 969 O ASP A 66 -9.870 -5.825 -14.510 1.00 0.00 O ATOM 970 CB ASP A 66 -7.048 -5.707 -14.673 1.00 0.00 C ATOM 971 CG ASP A 66 -6.479 -5.080 -15.957 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.087 -4.123 -16.486 1.00 0.00 O ATOM 973 OD2 ASP A 66 -5.425 -5.549 -16.442 1.00 0.00 O ATOM 0 H ASP A 66 -6.997 -4.028 -11.920 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.604 -3.743 -14.092 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.224 -6.146 -14.111 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.712 -6.524 -14.955 1.00 0.00 H new ATOM 978 N GLU A 67 -10.101 -4.171 -12.977 1.00 0.00 N ATOM 979 CA GLU A 67 -11.581 -4.237 -12.863 1.00 0.00 C ATOM 980 C GLU A 67 -12.224 -3.322 -13.942 1.00 0.00 C ATOM 981 O GLU A 67 -13.275 -2.691 -13.706 1.00 0.00 O ATOM 982 CB GLU A 67 -12.015 -3.873 -11.410 1.00 0.00 C ATOM 983 CG GLU A 67 -11.725 -2.426 -10.947 1.00 0.00 C ATOM 984 CD GLU A 67 -10.533 -2.300 -9.993 1.00 0.00 C ATOM 985 OE1 GLU A 67 -9.596 -3.124 -10.081 1.00 0.00 O ATOM 986 OE2 GLU A 67 -10.527 -1.373 -9.153 1.00 0.00 O ATOM 0 H GLU A 67 -9.684 -3.462 -12.374 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.936 -5.250 -13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.086 -4.053 -11.318 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.517 -4.558 -10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.541 -1.806 -11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.613 -2.029 -10.456 1.00 0.00 H new ATOM 993 N ASP A 68 -11.622 -3.265 -15.144 1.00 0.00 N ATOM 994 CA ASP A 68 -12.090 -2.402 -16.263 1.00 0.00 C ATOM 995 C ASP A 68 -12.281 -3.284 -17.526 1.00 0.00 C ATOM 996 O ASP A 68 -13.291 -3.178 -18.233 1.00 0.00 O ATOM 997 CB ASP A 68 -11.125 -1.205 -16.508 1.00 0.00 C ATOM 998 CG ASP A 68 -10.007 -1.438 -17.538 1.00 0.00 C ATOM 999 OD1 ASP A 68 -10.236 -1.198 -18.744 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -8.898 -1.861 -17.143 1.00 0.00 O ATOM 0 H ASP A 68 -10.794 -3.815 -15.375 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.049 -1.954 -16.004 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.716 -0.348 -16.831 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.665 -0.935 -15.557 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.308 -4.183 -17.785 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.367 -5.118 -18.937 1.00 0.00 C ATOM 1007 C GLY A 69 -10.402 -4.650 -20.057 1.00 0.00 C ATOM 1008 O GLY A 69 -10.717 -3.725 -20.817 1.00 0.00 O ATOM 0 H GLY A 69 -10.470 -4.284 -17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.099 -6.123 -18.613 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.385 -5.168 -19.322 1.00 0.00 H new ATOM 1012 N SER A 70 -9.228 -5.304 -20.142 1.00 0.00 N ATOM 1013 CA SER A 70 -8.163 -4.950 -21.117 1.00 0.00 C ATOM 1014 C SER A 70 -7.023 -6.002 -21.057 1.00 0.00 C ATOM 1015 O SER A 70 -6.711 -6.664 -22.054 1.00 0.00 O ATOM 1016 CB SER A 70 -7.658 -3.517 -20.829 1.00 0.00 C ATOM 1017 OG SER A 70 -7.744 -3.203 -19.443 1.00 0.00 O ATOM 0 H SER A 70 -8.985 -6.092 -19.541 1.00 0.00 H new ATOM 0 HA SER A 70 -8.560 -4.963 -22.132 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.625 -3.420 -21.162 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.246 -2.801 -21.403 1.00 0.00 H new ATOM 0 HG SER A 70 -7.416 -2.292 -19.293 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.425 -6.167 -19.860 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.342 -7.159 -19.636 1.00 0.00 C ATOM 1025 C GLY A 71 -3.997 -6.434 -19.368 1.00 0.00 C ATOM 1026 O GLY A 71 -3.163 -6.917 -18.591 1.00 0.00 O ATOM 0 H GLY A 71 -6.671 -5.628 -19.030 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.594 -7.798 -18.790 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.247 -7.807 -20.507 1.00 0.00 H new ATOM 1030 N THR A 72 -3.807 -5.273 -20.025 1.00 0.00 N ATOM 1031 CA THR A 72 -2.596 -4.427 -19.858 1.00 0.00 C ATOM 1032 C THR A 72 -2.828 -3.454 -18.669 1.00 0.00 C ATOM 1033 O THR A 72 -3.835 -3.559 -17.956 1.00 0.00 O ATOM 1034 CB THR A 72 -2.210 -3.690 -21.180 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.378 -3.307 -21.902 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.302 -4.488 -22.134 1.00 0.00 C ATOM 0 H THR A 72 -4.483 -4.891 -20.686 1.00 0.00 H new ATOM 0 HA THR A 72 -1.739 -5.059 -19.627 1.00 0.00 H new ATOM 0 HB THR A 72 -1.638 -2.825 -20.845 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.117 -2.845 -22.726 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.092 -3.890 -23.021 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.367 -4.729 -21.629 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.804 -5.410 -22.428 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.873 -2.531 -18.449 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.944 -1.532 -17.349 1.00 0.00 C ATOM 1046 C ILE A 73 -1.367 -0.209 -17.922 1.00 0.00 C ATOM 1047 O ILE A 73 -0.180 0.091 -17.737 1.00 0.00 O ATOM 1048 CB ILE A 73 -1.236 -2.047 -16.039 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.856 -3.375 -15.499 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -1.213 -0.977 -14.915 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.601 -3.678 -14.013 1.00 0.00 C ATOM 0 H ILE A 73 -1.032 -2.451 -19.021 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.969 -1.359 -17.022 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.207 -2.252 -16.334 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.933 -3.344 -15.664 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.466 -4.203 -16.091 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.714 -1.384 -14.035 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.674 -0.096 -15.263 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.235 -0.699 -14.656 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.076 -4.622 -13.747 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.528 -3.749 -13.835 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.018 -2.878 -13.402 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.216 0.571 -18.618 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.814 1.873 -19.215 1.00 0.00 C ATOM 1065 C ASP A 74 -1.355 2.830 -18.080 1.00 0.00 C ATOM 1066 O ASP A 74 -1.468 2.515 -16.885 1.00 0.00 O ATOM 1067 CB ASP A 74 -2.954 2.480 -20.083 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.385 2.045 -19.723 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -4.847 1.000 -20.233 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.052 2.752 -18.936 1.00 0.00 O ATOM 0 H ASP A 74 -3.192 0.326 -18.785 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.976 1.718 -19.895 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.898 3.566 -20.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.768 2.219 -21.125 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.860 4.021 -18.466 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.397 5.059 -17.504 1.00 0.00 C ATOM 1077 C PHE A 75 -1.619 5.576 -16.697 1.00 0.00 C ATOM 1078 O PHE A 75 -1.487 5.961 -15.529 1.00 0.00 O ATOM 1079 CB PHE A 75 0.339 6.208 -18.253 1.00 0.00 C ATOM 1080 CG PHE A 75 0.975 7.283 -17.348 1.00 0.00 C ATOM 1081 CD1 PHE A 75 1.388 6.959 -16.050 1.00 0.00 C ATOM 1082 CD2 PHE A 75 1.135 8.595 -17.809 1.00 0.00 C ATOM 1083 CE1 PHE A 75 1.941 7.935 -15.224 1.00 0.00 C ATOM 1084 CE2 PHE A 75 1.688 9.569 -16.980 1.00 0.00 C ATOM 1085 CZ PHE A 75 2.089 9.238 -15.689 1.00 0.00 C ATOM 0 H PHE A 75 -0.767 4.297 -19.444 1.00 0.00 H new ATOM 0 HA PHE A 75 0.321 4.629 -16.806 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.120 5.772 -18.875 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.369 6.694 -18.924 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.277 5.948 -15.687 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.828 8.854 -18.812 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.255 7.680 -14.223 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.805 10.581 -17.339 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.516 9.994 -15.047 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.797 5.606 -17.347 1.00 0.00 N ATOM 1096 CA GLU A 76 -4.038 6.174 -16.757 1.00 0.00 C ATOM 1097 C GLU A 76 -4.396 5.398 -15.459 1.00 0.00 C ATOM 1098 O GLU A 76 -4.528 5.991 -14.381 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.204 6.175 -17.790 1.00 0.00 C ATOM 1100 CG GLU A 76 -4.858 5.914 -19.277 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.438 7.165 -20.055 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.297 8.041 -20.300 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -3.249 7.275 -20.426 1.00 0.00 O ATOM 0 H GLU A 76 -2.922 5.241 -18.291 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.867 7.217 -16.491 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.927 5.421 -17.478 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.704 7.142 -17.728 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.052 5.181 -19.327 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.724 5.469 -19.767 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.580 4.072 -15.591 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.986 3.179 -14.472 1.00 0.00 C ATOM 1112 C GLU A 77 -3.798 2.967 -13.493 1.00 0.00 C ATOM 1113 O GLU A 77 -4.009 2.738 -12.294 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.541 1.822 -14.998 1.00 0.00 C ATOM 1115 CG GLU A 77 -4.514 0.681 -15.192 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.170 -0.680 -15.440 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.347 -0.715 -15.862 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -4.515 -1.720 -15.211 1.00 0.00 O ATOM 0 H GLU A 77 -4.453 3.581 -16.476 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.795 3.663 -13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.308 1.476 -14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.034 2.003 -15.953 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.865 0.924 -16.033 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -3.880 0.617 -14.308 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.559 3.033 -14.014 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.324 2.840 -13.207 1.00 0.00 C ATOM 1127 C PHE A 78 -1.382 3.778 -11.971 1.00 0.00 C ATOM 1128 O PHE A 78 -1.116 3.351 -10.841 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.056 3.084 -14.082 1.00 0.00 C ATOM 1130 CG PHE A 78 1.285 2.726 -13.407 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.321 1.845 -12.320 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.485 3.241 -13.912 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.541 1.471 -11.760 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.703 2.866 -13.350 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.730 1.978 -12.278 1.00 0.00 C ATOM 0 H PHE A 78 -2.378 3.220 -15.000 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.261 1.811 -12.852 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.150 2.503 -14.999 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.030 4.135 -14.371 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.400 1.454 -11.914 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.466 3.932 -14.741 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.564 0.788 -10.924 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.626 3.264 -13.746 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.675 1.682 -11.847 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.703 5.063 -12.210 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.696 6.115 -11.159 1.00 0.00 C ATOM 1147 C LEU A 79 -2.809 5.791 -10.125 1.00 0.00 C ATOM 1148 O LEU A 79 -2.692 6.151 -8.946 1.00 0.00 O ATOM 1149 CB LEU A 79 -1.889 7.529 -11.787 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.958 7.921 -12.972 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.645 8.935 -13.909 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.399 8.481 -12.498 1.00 0.00 C ATOM 0 H LEU A 79 -1.974 5.407 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.731 6.125 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.921 7.607 -12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.758 8.269 -10.997 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.762 7.001 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.971 9.190 -14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.557 8.496 -14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.894 9.837 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.009 8.738 -13.364 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.233 9.372 -11.893 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.915 7.728 -11.902 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.893 5.138 -10.583 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.049 4.766 -9.722 1.00 0.00 C ATOM 1166 C VAL A 80 -4.560 3.701 -8.702 1.00 0.00 C ATOM 1167 O VAL A 80 -4.980 3.705 -7.538 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.287 4.305 -10.571 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -7.286 3.404 -9.802 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.076 5.492 -11.174 1.00 0.00 C ATOM 0 H VAL A 80 -4.000 4.851 -11.556 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.410 5.635 -9.171 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.836 3.715 -11.369 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.111 3.131 -10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.777 2.501 -9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.675 3.945 -8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.920 5.113 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.443 6.131 -10.371 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.422 6.070 -11.827 1.00 0.00 H new ATOM 1180 N MET A 81 -3.665 2.802 -9.152 1.00 0.00 N ATOM 1181 CA MET A 81 -3.106 1.709 -8.311 1.00 0.00 C ATOM 1182 C MET A 81 -2.298 2.352 -7.151 1.00 0.00 C ATOM 1183 O MET A 81 -2.469 1.985 -5.982 1.00 0.00 O ATOM 1184 CB MET A 81 -2.242 0.730 -9.156 1.00 0.00 C ATOM 1185 CG MET A 81 -2.369 -0.762 -8.796 1.00 0.00 C ATOM 1186 SD MET A 81 -1.965 -1.782 -10.231 1.00 0.00 S ATOM 1187 CE MET A 81 -0.362 -2.455 -9.746 1.00 0.00 C ATOM 0 H MET A 81 -3.305 2.806 -10.106 1.00 0.00 H new ATOM 0 HA MET A 81 -3.915 1.109 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.508 0.854 -10.206 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.196 1.020 -9.056 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.701 -1.003 -7.969 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.383 -0.978 -8.460 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.013 -3.106 -10.536 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.341 -1.638 -9.584 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.471 -3.028 -8.825 1.00 0.00 H new ATOM 1197 N MET A 82 -1.395 3.289 -7.499 1.00 0.00 N ATOM 1198 CA MET A 82 -0.463 3.917 -6.525 1.00 0.00 C ATOM 1199 C MET A 82 -1.258 4.797 -5.521 1.00 0.00 C ATOM 1200 O MET A 82 -0.814 5.004 -4.383 1.00 0.00 O ATOM 1201 CB MET A 82 0.624 4.731 -7.282 1.00 0.00 C ATOM 1202 CG MET A 82 1.858 3.929 -7.740 1.00 0.00 C ATOM 1203 SD MET A 82 3.116 3.879 -6.442 1.00 0.00 S ATOM 1204 CE MET A 82 4.496 3.096 -7.299 1.00 0.00 C ATOM 0 H MET A 82 -1.286 3.634 -8.453 1.00 0.00 H new ATOM 0 HA MET A 82 0.046 3.143 -5.950 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.165 5.189 -8.158 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.960 5.543 -6.637 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.560 2.914 -8.002 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.276 4.380 -8.640 1.00 0.00 H new ATOM 0 HE1 MET A 82 5.341 3.002 -6.617 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.196 2.107 -7.644 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.786 3.706 -8.154 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.412 5.332 -5.961 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.227 6.290 -5.166 1.00 0.00 C ATOM 1216 C VAL A 83 -3.871 5.500 -3.994 1.00 0.00 C ATOM 1217 O VAL A 83 -3.765 5.900 -2.827 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.268 7.055 -6.059 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -5.705 7.002 -5.487 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -3.910 8.540 -6.321 1.00 0.00 C ATOM 0 H VAL A 83 -2.811 5.118 -6.875 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.599 7.079 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.225 6.517 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.380 7.548 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.030 5.964 -5.414 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.719 7.457 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.679 8.995 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.850 9.073 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.948 8.598 -6.831 1.00 0.00 H new ATOM 1230 N ARG A 84 -4.563 4.393 -4.325 1.00 0.00 N ATOM 1231 CA ARG A 84 -5.338 3.584 -3.346 1.00 0.00 C ATOM 1232 C ARG A 84 -4.418 3.275 -2.133 1.00 0.00 C ATOM 1233 O ARG A 84 -4.839 3.396 -0.975 1.00 0.00 O ATOM 1234 CB ARG A 84 -5.859 2.277 -4.008 1.00 0.00 C ATOM 1235 CG ARG A 84 -7.162 2.435 -4.828 1.00 0.00 C ATOM 1236 CD ARG A 84 -7.370 1.292 -5.840 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.035 0.119 -5.219 1.00 0.00 N ATOM 1238 CZ ARG A 84 -9.204 0.167 -4.548 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -10.150 1.034 -4.882 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -9.465 -0.688 -3.568 1.00 0.00 N ATOM 0 H ARG A 84 -4.605 4.029 -5.277 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.211 4.140 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.081 1.884 -4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.026 1.534 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.013 2.471 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.139 3.386 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.972 1.651 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.406 0.989 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.575 -0.787 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.000 1.679 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.028 1.056 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.777 -1.396 -3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.354 -0.638 -3.071 1.00 0.00 H new ATOM 1254 N GLN A 85 -3.174 2.848 -2.417 1.00 0.00 N ATOM 1255 CA GLN A 85 -2.208 2.404 -1.377 1.00 0.00 C ATOM 1256 C GLN A 85 -1.660 3.655 -0.638 1.00 0.00 C ATOM 1257 O GLN A 85 -1.332 3.589 0.553 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.079 1.552 -2.023 1.00 0.00 C ATOM 1259 CG GLN A 85 -1.532 0.283 -2.787 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.885 -1.023 -2.293 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -1.519 -2.078 -2.264 1.00 0.00 O ATOM 1262 NE2 GLN A 85 0.378 -0.985 -1.894 1.00 0.00 N ATOM 0 H GLN A 85 -2.805 2.798 -3.367 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.701 1.766 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -0.523 2.187 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -0.386 1.250 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -2.615 0.191 -2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.303 0.410 -3.845 1.00 0.00 H new ATOM 0 HE21 GLN A 85 0.895 -0.106 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A 85 0.833 -1.834 -1.559 1.00 0.00 H new ATOM 1271 N MET A 86 -1.538 4.778 -1.369 1.00 0.00 N ATOM 1272 CA MET A 86 -0.940 6.037 -0.850 1.00 0.00 C ATOM 1273 C MET A 86 -1.599 6.362 0.518 1.00 0.00 C ATOM 1274 O MET A 86 -0.953 6.925 1.410 1.00 0.00 O ATOM 1275 CB MET A 86 -1.098 7.200 -1.869 1.00 0.00 C ATOM 1276 CG MET A 86 0.213 7.828 -2.381 1.00 0.00 C ATOM 1277 SD MET A 86 0.103 9.630 -2.318 1.00 0.00 S ATOM 1278 CE MET A 86 -1.051 9.960 -3.666 1.00 0.00 C ATOM 0 H MET A 86 -1.849 4.845 -2.338 1.00 0.00 H new ATOM 0 HA MET A 86 0.133 5.909 -0.707 1.00 0.00 H new ATOM 0 HB2 MET A 86 -1.661 6.832 -2.727 1.00 0.00 H new ATOM 0 HB3 MET A 86 -1.698 7.984 -1.406 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.051 7.485 -1.774 1.00 0.00 H new ATOM 0 HG3 MET A 86 0.406 7.503 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.203 11.035 -3.760 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.643 9.568 -4.598 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.005 9.476 -3.455 1.00 0.00 H new ATOM 1288 N LYS A 87 -2.896 6.028 0.654 1.00 0.00 N ATOM 1289 CA LYS A 87 -3.701 6.344 1.864 1.00 0.00 C ATOM 1290 C LYS A 87 -2.903 5.897 3.119 1.00 0.00 C ATOM 1291 O LYS A 87 -2.208 4.874 3.094 1.00 0.00 O ATOM 1292 CB LYS A 87 -5.086 5.638 1.841 1.00 0.00 C ATOM 1293 CG LYS A 87 -6.237 6.450 1.203 1.00 0.00 C ATOM 1294 CD LYS A 87 -7.654 5.904 1.480 1.00 0.00 C ATOM 1295 CE LYS A 87 -8.788 6.939 1.333 1.00 0.00 C ATOM 1296 NZ LYS A 87 -9.860 6.706 2.316 1.00 0.00 N ATOM 0 H LYS A 87 -3.421 5.532 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.886 7.418 1.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.986 4.697 1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.364 5.389 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.182 7.476 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.082 6.485 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.848 5.075 0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.680 5.499 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.385 7.943 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.200 6.889 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.607 7.419 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.260 5.756 2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.471 6.778 3.278 1.00 0.00 H new ATOM 1310 N GLU A 88 -3.014 6.679 4.209 1.00 0.00 N ATOM 1311 CA GLU A 88 -2.315 6.391 5.490 1.00 0.00 C ATOM 1312 C GLU A 88 -3.376 5.972 6.543 1.00 0.00 C ATOM 1313 O GLU A 88 -3.659 6.719 7.487 1.00 0.00 O ATOM 1314 CB GLU A 88 -1.456 7.614 5.923 1.00 0.00 C ATOM 1315 CG GLU A 88 -2.026 9.013 5.587 1.00 0.00 C ATOM 1316 CD GLU A 88 -1.462 10.145 6.452 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -1.042 9.878 7.600 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -1.439 11.307 5.989 1.00 0.00 O ATOM 0 H GLU A 88 -3.585 7.524 4.234 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.614 5.564 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.302 7.558 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.475 7.524 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.821 9.235 4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.110 8.989 5.702 1.00 0.00 H new ATOM 1325 N ASP A 89 -3.931 4.757 6.380 1.00 0.00 N ATOM 1326 CA ASP A 89 -4.987 4.217 7.277 1.00 0.00 C ATOM 1327 C ASP A 89 -4.741 2.697 7.476 1.00 0.00 C ATOM 1328 O ASP A 89 -4.809 1.915 6.520 1.00 0.00 O ATOM 1329 CB ASP A 89 -6.413 4.528 6.737 1.00 0.00 C ATOM 1330 CG ASP A 89 -7.004 5.892 7.135 1.00 0.00 C ATOM 1331 OD1 ASP A 89 -6.762 6.888 6.419 1.00 0.00 O ATOM 1332 OD2 ASP A 89 -7.709 5.969 8.166 1.00 0.00 O ATOM 0 H ASP A 89 -3.667 4.119 5.629 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.931 4.709 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.388 4.469 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.089 3.747 7.084 1.00 0.00 H new ATOM 1337 N ALA A 90 -4.458 2.298 8.730 1.00 0.00 N ATOM 1338 CA ALA A 90 -4.302 0.869 9.112 1.00 0.00 C ATOM 1339 C ALA A 90 -4.589 0.727 10.620 1.00 0.00 C ATOM 1340 O ALA A 90 -5.217 -0.302 11.020 1.00 0.00 O ATOM 1341 CB ALA A 90 -2.899 0.351 8.737 1.00 0.00 C ATOM 1342 OXT ALA A 90 -4.197 1.625 11.427 1.00 0.00 O ATOM 0 H ALA A 90 -4.330 2.947 9.507 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.015 0.255 8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.808 -0.696 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.752 0.444 7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.143 0.938 9.259 1.00 0.00 H new TER 1348 ALA A 90 HETATM 1349 CA CA A 91 4.224 -3.427 -22.741 1.00 0.00 CA HETATM 1350 CA CA A 92 -6.222 -2.452 -17.306 1.00 0.00 CA