USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 Set 1.1: A 48 CYS SG : rot -64:sc= 1.03 USER MOD Set 1.2: A 54 SER OG : rot 37:sc= 2 USER MOD Set 1.3: A 71 ASN : amide:sc= 0.841 K(o=3.9,f=2.7) USER MOD Set 2.1: A 43 THR OG1 : rot 88:sc= 1.56 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.664 K(o=2.2,f=-4.2!) USER MOD Set 3.1: A 41 ASN : amide:sc= 1.04 K(o=1,f=-0.27) USER MOD Set 3.2: A 67 THR OG1 : rot 171:sc= -0.0167 USER MOD Single : A 1 ALA N :NH3+ 176:sc= 1.07 (180deg=1.05) USER MOD Single : A 3 HIS : no HE2:sc= 0.307 K(o=0.31,f=-2.5!) USER MOD Single : A 12 GLN : amide:sc= 0.0527 K(o=0.053,f=-4.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.246 K(o=0.25,f=-0.33) USER MOD Single : A 15 GLN : amide:sc= 0.964 K(o=0.96,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.436 K(o=0.44,f=-2.7!) USER MOD Single : A 19 GLN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 23 ASN : amide:sc= 2.05 K(o=2,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.01) USER MOD Single : A 35 THR OG1 : rot 41:sc= 0.761 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.13) USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 1.09 (180deg=0.718) USER MOD Single : A 47 TYR OH : rot -90:sc= -0.416 USER MOD Single : A 49 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.026) USER MOD Single : A 53 GLN : amide:sc= 0.8 K(o=0.8,f=-3.3!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 85:sc= 0.712 USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.111) USER MOD Single : A 66 TYR OH : rot -164:sc= 1.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 2.5 (180deg=1.85) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.473 1.281 -0.293 1.00 0.00 N ATOM 2 CA ALA A 1 -1.412 0.738 -1.164 1.00 0.00 C ATOM 3 C ALA A 1 -0.815 1.878 -2.000 1.00 0.00 C ATOM 4 O ALA A 1 -0.931 3.056 -1.641 1.00 0.00 O ATOM 5 CB ALA A 1 -1.943 -0.436 -2.013 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.928 0.503 0.227 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.057 1.953 0.383 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.183 1.770 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.607 0.320 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.142 -0.819 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.296 -1.230 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.766 -0.090 -2.638 1.00 0.00 H new ATOM 13 N GLU A 2 -0.133 1.545 -3.096 1.00 0.00 N ATOM 14 CA GLU A 2 0.475 2.504 -4.003 1.00 0.00 C ATOM 15 C GLU A 2 0.402 1.964 -5.429 1.00 0.00 C ATOM 16 O GLU A 2 0.501 0.752 -5.645 1.00 0.00 O ATOM 17 CB GLU A 2 1.931 2.744 -3.558 1.00 0.00 C ATOM 18 CG GLU A 2 2.689 3.795 -4.374 1.00 0.00 C ATOM 19 CD GLU A 2 4.081 4.037 -3.768 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.181 4.700 -2.713 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.096 3.602 -4.361 1.00 0.00 O ATOM 0 H GLU A 2 0.012 0.576 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.056 3.456 -3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.930 3.049 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.473 1.800 -3.615 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.787 3.462 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.125 4.728 -4.392 1.00 0.00 H new ATOM 28 N HIS A 3 0.257 2.872 -6.393 1.00 0.00 N ATOM 29 CA HIS A 3 0.409 2.611 -7.812 1.00 0.00 C ATOM 30 C HIS A 3 1.132 3.808 -8.430 1.00 0.00 C ATOM 31 O HIS A 3 1.281 4.869 -7.810 1.00 0.00 O ATOM 32 CB HIS A 3 -0.945 2.341 -8.494 1.00 0.00 C ATOM 33 CG HIS A 3 -0.806 1.472 -9.726 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.510 1.871 -11.016 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.865 0.103 -9.738 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.382 0.768 -11.772 1.00 0.00 C ATOM 37 NE2 HIS A 3 -0.599 -0.340 -11.040 1.00 0.00 N ATOM 0 H HIS A 3 0.022 3.844 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 3 0.997 1.705 -7.963 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.616 1.857 -7.785 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.405 3.290 -8.771 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -0.407 2.834 -11.337 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.080 -0.527 -8.888 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.138 0.770 -12.824 1.00 0.00 H new ATOM 45 N TRP A 4 1.570 3.628 -9.670 1.00 0.00 N ATOM 46 CA TRP A 4 2.463 4.525 -10.374 1.00 0.00 C ATOM 47 C TRP A 4 1.887 4.715 -11.770 1.00 0.00 C ATOM 48 O TRP A 4 1.409 3.746 -12.368 1.00 0.00 O ATOM 49 CB TRP A 4 3.862 3.891 -10.412 1.00 0.00 C ATOM 50 CG TRP A 4 4.272 3.175 -9.155 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.902 3.731 -8.098 1.00 0.00 C ATOM 52 CD2 TRP A 4 3.976 1.800 -8.756 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.978 2.819 -7.065 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.414 1.612 -7.412 1.00 0.00 C ATOM 55 CE3 TRP A 4 3.327 0.711 -9.377 1.00 0.00 C ATOM 56 CZ2 TRP A 4 4.212 0.410 -6.717 1.00 0.00 C ATOM 57 CZ3 TRP A 4 3.124 -0.503 -8.693 1.00 0.00 C ATOM 58 CH2 TRP A 4 3.563 -0.655 -7.366 1.00 0.00 C ATOM 0 H TRP A 4 1.299 2.820 -10.230 1.00 0.00 H new ATOM 0 HA TRP A 4 2.553 5.496 -9.886 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.902 3.186 -11.243 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.593 4.672 -10.621 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.289 4.739 -8.066 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.400 3.015 -6.157 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.980 0.811 -10.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.551 0.304 -5.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 2.628 -1.323 -9.191 1.00 0.00 H new ATOM 0 HH2 TRP A 4 3.402 -1.588 -6.846 1.00 0.00 H new ATOM 69 N ILE A 5 1.899 5.944 -12.279 1.00 0.00 N ATOM 70 CA ILE A 5 1.269 6.305 -13.539 1.00 0.00 C ATOM 71 C ILE A 5 2.293 7.140 -14.307 1.00 0.00 C ATOM 72 O ILE A 5 2.892 8.067 -13.755 1.00 0.00 O ATOM 73 CB ILE A 5 -0.035 7.113 -13.314 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.950 6.662 -12.149 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.842 7.173 -14.619 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.686 5.330 -12.338 1.00 0.00 C ATOM 0 H ILE A 5 2.356 6.729 -11.816 1.00 0.00 H new ATOM 0 HA ILE A 5 0.983 5.412 -14.094 1.00 0.00 H new ATOM 0 HB ILE A 5 0.316 8.098 -13.005 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.344 6.593 -11.246 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.692 7.441 -11.976 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.757 7.742 -14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.247 7.658 -15.393 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.096 6.162 -14.937 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.294 5.122 -11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.329 5.391 -13.216 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.959 4.529 -12.475 1.00 0.00 H new ATOM 88 N ASP A 6 2.475 6.820 -15.583 1.00 0.00 N ATOM 89 CA ASP A 6 3.229 7.650 -16.508 1.00 0.00 C ATOM 90 C ASP A 6 2.215 8.522 -17.235 1.00 0.00 C ATOM 91 O ASP A 6 1.196 7.994 -17.678 1.00 0.00 O ATOM 92 CB ASP A 6 3.938 6.773 -17.534 1.00 0.00 C ATOM 93 CG ASP A 6 4.575 7.679 -18.581 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.464 8.467 -18.193 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.155 7.610 -19.758 1.00 0.00 O ATOM 0 H ASP A 6 2.100 5.971 -16.005 1.00 0.00 H new ATOM 0 HA ASP A 6 3.973 8.243 -15.976 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.698 6.161 -17.049 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.230 6.090 -18.003 1.00 0.00 H new ATOM 100 N VAL A 7 2.457 9.825 -17.382 1.00 0.00 N ATOM 101 CA VAL A 7 1.411 10.747 -17.846 1.00 0.00 C ATOM 102 C VAL A 7 1.849 11.630 -19.021 1.00 0.00 C ATOM 103 O VAL A 7 1.388 12.765 -19.154 1.00 0.00 O ATOM 104 CB VAL A 7 0.766 11.496 -16.651 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.205 10.544 -15.580 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.756 12.431 -15.945 1.00 0.00 C ATOM 0 H VAL A 7 3.357 10.266 -17.190 1.00 0.00 H new ATOM 0 HA VAL A 7 0.610 10.153 -18.287 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.045 12.069 -17.100 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.233 11.126 -14.769 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.560 9.907 -16.024 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.010 9.924 -15.187 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.256 12.932 -15.116 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.596 11.851 -15.564 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.120 13.176 -16.652 1.00 0.00 H new ATOM 116 N ARG A 8 2.702 11.117 -19.918 1.00 0.00 N ATOM 117 CA ARG A 8 3.191 11.871 -21.079 1.00 0.00 C ATOM 118 C ARG A 8 2.927 11.125 -22.389 1.00 0.00 C ATOM 119 O ARG A 8 2.327 10.050 -22.395 1.00 0.00 O ATOM 120 CB ARG A 8 4.686 12.191 -20.898 1.00 0.00 C ATOM 121 CG ARG A 8 5.023 13.614 -21.376 1.00 0.00 C ATOM 122 CD ARG A 8 6.533 13.851 -21.446 1.00 0.00 C ATOM 123 NE ARG A 8 6.826 15.103 -22.166 1.00 0.00 N ATOM 124 CZ ARG A 8 7.442 15.242 -23.349 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.946 14.194 -23.995 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.552 16.449 -23.889 1.00 0.00 N ATOM 0 H ARG A 8 3.072 10.168 -19.859 1.00 0.00 H new ATOM 0 HA ARG A 8 2.640 12.810 -21.141 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.956 12.086 -19.847 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.283 11.469 -21.455 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.584 13.780 -22.360 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.573 14.340 -20.699 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.947 13.898 -20.439 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.016 13.013 -21.950 1.00 0.00 H new ATOM 0 HE ARG A 8 6.525 15.965 -21.711 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.868 13.260 -23.592 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.410 14.324 -24.894 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.170 17.261 -23.405 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.019 16.565 -24.788 1.00 0.00 H new ATOM 140 N VAL A 9 3.350 11.722 -23.502 1.00 0.00 N ATOM 141 CA VAL A 9 3.220 11.162 -24.841 1.00 0.00 C ATOM 142 C VAL A 9 4.174 9.966 -25.035 1.00 0.00 C ATOM 143 O VAL A 9 5.178 9.861 -24.319 1.00 0.00 O ATOM 144 CB VAL A 9 3.469 12.273 -25.888 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.296 13.264 -25.916 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.776 13.054 -25.654 1.00 0.00 C ATOM 0 H VAL A 9 3.805 12.635 -23.494 1.00 0.00 H new ATOM 0 HA VAL A 9 2.208 10.781 -24.976 1.00 0.00 H new ATOM 0 HB VAL A 9 3.559 11.760 -26.846 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.491 14.038 -26.659 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.379 12.735 -26.175 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.185 13.724 -24.934 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.887 13.817 -26.425 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.745 13.530 -24.674 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.622 12.368 -25.698 1.00 0.00 H new ATOM 156 N PRO A 10 3.927 9.097 -26.037 1.00 0.00 N ATOM 157 CA PRO A 10 4.801 7.979 -26.392 1.00 0.00 C ATOM 158 C PRO A 10 6.264 8.333 -26.686 1.00 0.00 C ATOM 159 O PRO A 10 7.098 7.434 -26.668 1.00 0.00 O ATOM 160 CB PRO A 10 4.164 7.317 -27.617 1.00 0.00 C ATOM 161 CG PRO A 10 2.683 7.639 -27.454 1.00 0.00 C ATOM 162 CD PRO A 10 2.708 9.035 -26.840 1.00 0.00 C ATOM 0 HA PRO A 10 4.870 7.326 -25.522 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.564 7.721 -28.547 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.343 6.242 -27.633 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.159 7.626 -28.409 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.182 6.921 -26.806 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.711 9.802 -27.614 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.825 9.207 -26.224 1.00 0.00 H new ATOM 170 N GLU A 11 6.602 9.602 -26.941 1.00 0.00 N ATOM 171 CA GLU A 11 7.957 10.057 -27.262 1.00 0.00 C ATOM 172 C GLU A 11 8.996 9.558 -26.245 1.00 0.00 C ATOM 173 O GLU A 11 10.110 9.192 -26.627 1.00 0.00 O ATOM 174 CB GLU A 11 7.932 11.595 -27.314 1.00 0.00 C ATOM 175 CG GLU A 11 9.268 12.248 -27.691 1.00 0.00 C ATOM 176 CD GLU A 11 9.167 13.784 -27.642 1.00 0.00 C ATOM 177 OE1 GLU A 11 9.047 14.348 -26.530 1.00 0.00 O ATOM 178 OE2 GLU A 11 9.221 14.436 -28.711 1.00 0.00 O ATOM 0 H GLU A 11 5.921 10.361 -26.929 1.00 0.00 H new ATOM 0 HA GLU A 11 8.258 9.643 -28.224 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.175 11.908 -28.033 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.621 11.972 -26.340 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.047 11.910 -27.008 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.562 11.931 -28.692 1.00 0.00 H new ATOM 185 N GLN A 12 8.632 9.516 -24.958 1.00 0.00 N ATOM 186 CA GLN A 12 9.484 8.923 -23.928 1.00 0.00 C ATOM 187 C GLN A 12 9.306 7.402 -23.907 1.00 0.00 C ATOM 188 O GLN A 12 10.291 6.670 -23.885 1.00 0.00 O ATOM 189 CB GLN A 12 9.221 9.537 -22.539 1.00 0.00 C ATOM 190 CG GLN A 12 7.740 9.664 -22.141 1.00 0.00 C ATOM 191 CD GLN A 12 7.552 9.755 -20.631 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.426 10.844 -20.077 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.527 8.622 -19.949 1.00 0.00 N ATOM 0 H GLN A 12 7.749 9.888 -24.607 1.00 0.00 H new ATOM 0 HA GLN A 12 10.520 9.149 -24.179 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.730 8.930 -21.790 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.674 10.528 -22.507 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.314 10.550 -22.612 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.189 8.804 -22.522 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.634 7.732 -20.435 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.401 8.639 -18.937 1.00 0.00 H new ATOM 202 N TYR A 13 8.061 6.922 -23.961 1.00 0.00 N ATOM 203 CA TYR A 13 7.698 5.521 -23.782 1.00 0.00 C ATOM 204 C TYR A 13 8.434 4.620 -24.780 1.00 0.00 C ATOM 205 O TYR A 13 8.879 3.529 -24.429 1.00 0.00 O ATOM 206 CB TYR A 13 6.168 5.406 -23.917 1.00 0.00 C ATOM 207 CG TYR A 13 5.525 4.222 -23.221 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.147 4.329 -21.868 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.238 3.042 -23.934 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.504 3.258 -21.224 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.584 1.970 -23.300 1.00 0.00 C ATOM 212 CZ TYR A 13 4.211 2.074 -21.938 1.00 0.00 C ATOM 213 OH TYR A 13 3.553 1.058 -21.312 1.00 0.00 O ATOM 0 H TYR A 13 7.254 7.521 -24.137 1.00 0.00 H new ATOM 0 HA TYR A 13 8.001 5.179 -22.793 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.719 6.319 -23.526 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.920 5.357 -24.977 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.352 5.239 -21.323 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.521 2.960 -24.973 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.233 3.340 -20.182 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.366 1.068 -23.852 1.00 0.00 H new ATOM 0 HH TYR A 13 3.427 0.315 -21.938 1.00 0.00 H new ATOM 223 N GLN A 14 8.620 5.104 -26.011 1.00 0.00 N ATOM 224 CA GLN A 14 9.315 4.409 -27.088 1.00 0.00 C ATOM 225 C GLN A 14 10.824 4.232 -26.850 1.00 0.00 C ATOM 226 O GLN A 14 11.469 3.550 -27.649 1.00 0.00 O ATOM 227 CB GLN A 14 9.039 5.151 -28.414 1.00 0.00 C ATOM 228 CG GLN A 14 7.594 4.992 -28.921 1.00 0.00 C ATOM 229 CD GLN A 14 7.196 3.518 -29.043 1.00 0.00 C ATOM 230 OE1 GLN A 14 7.644 2.804 -29.937 1.00 0.00 O ATOM 231 NE2 GLN A 14 6.399 3.020 -28.111 1.00 0.00 N ATOM 0 H GLN A 14 8.277 6.023 -26.291 1.00 0.00 H new ATOM 0 HA GLN A 14 8.922 3.393 -27.130 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.253 6.211 -28.279 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.725 4.782 -29.176 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.911 5.498 -28.239 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.493 5.478 -29.892 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.035 3.625 -27.375 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.149 2.031 -28.129 1.00 0.00 H new ATOM 240 N GLN A 15 11.399 4.795 -25.780 1.00 0.00 N ATOM 241 CA GLN A 15 12.823 4.687 -25.475 1.00 0.00 C ATOM 242 C GLN A 15 13.073 4.291 -24.015 1.00 0.00 C ATOM 243 O GLN A 15 14.008 3.532 -23.766 1.00 0.00 O ATOM 244 CB GLN A 15 13.568 5.966 -25.907 1.00 0.00 C ATOM 245 CG GLN A 15 12.978 7.280 -25.363 1.00 0.00 C ATOM 246 CD GLN A 15 13.702 8.519 -25.892 1.00 0.00 C ATOM 247 OE1 GLN A 15 14.921 8.647 -25.793 1.00 0.00 O ATOM 248 NE2 GLN A 15 12.972 9.463 -26.465 1.00 0.00 N ATOM 0 H GLN A 15 10.878 5.344 -25.096 1.00 0.00 H new ATOM 0 HA GLN A 15 13.240 3.869 -26.062 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.606 5.890 -25.583 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.576 6.013 -26.996 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.923 7.338 -25.633 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.029 7.272 -24.274 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.961 9.349 -26.543 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.420 10.304 -26.828 1.00 0.00 H new ATOM 257 N GLU A 16 12.242 4.719 -23.061 1.00 0.00 N ATOM 258 CA GLU A 16 12.225 4.183 -21.705 1.00 0.00 C ATOM 259 C GLU A 16 10.902 4.567 -21.039 1.00 0.00 C ATOM 260 O GLU A 16 10.418 5.692 -21.175 1.00 0.00 O ATOM 261 CB GLU A 16 13.433 4.644 -20.849 1.00 0.00 C ATOM 262 CG GLU A 16 13.498 6.156 -20.565 1.00 0.00 C ATOM 263 CD GLU A 16 14.768 6.575 -19.802 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.886 6.470 -20.359 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.650 7.046 -18.646 1.00 0.00 O ATOM 0 H GLU A 16 11.555 5.457 -23.215 1.00 0.00 H new ATOM 0 HA GLU A 16 12.313 3.099 -21.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.407 4.113 -19.898 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.351 4.346 -21.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.453 6.699 -21.509 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.621 6.449 -19.987 1.00 0.00 H new ATOM 272 N HIS A 17 10.328 3.640 -20.281 1.00 0.00 N ATOM 273 CA HIS A 17 9.241 3.905 -19.359 1.00 0.00 C ATOM 274 C HIS A 17 9.486 3.030 -18.143 1.00 0.00 C ATOM 275 O HIS A 17 10.056 1.942 -18.261 1.00 0.00 O ATOM 276 CB HIS A 17 7.865 3.637 -19.984 1.00 0.00 C ATOM 277 CG HIS A 17 7.530 2.187 -20.239 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.991 1.301 -19.329 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.610 1.534 -21.440 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.749 0.147 -19.972 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.112 0.235 -21.266 1.00 0.00 N ATOM 0 H HIS A 17 10.616 2.661 -20.294 1.00 0.00 H new ATOM 0 HA HIS A 17 9.224 4.960 -19.085 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.102 4.057 -19.329 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.805 4.176 -20.930 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.809 1.489 -18.343 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.991 1.948 -22.362 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.321 -0.732 -19.514 1.00 0.00 H new ATOM 289 N VAL A 18 9.067 3.508 -16.977 1.00 0.00 N ATOM 290 CA VAL A 18 9.134 2.748 -15.741 1.00 0.00 C ATOM 291 C VAL A 18 8.286 1.486 -15.927 1.00 0.00 C ATOM 292 O VAL A 18 7.162 1.552 -16.434 1.00 0.00 O ATOM 293 CB VAL A 18 8.703 3.671 -14.588 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.447 2.894 -13.290 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.795 4.720 -14.324 1.00 0.00 C ATOM 0 H VAL A 18 8.669 4.440 -16.865 1.00 0.00 H new ATOM 0 HA VAL A 18 10.137 2.407 -15.487 1.00 0.00 H new ATOM 0 HB VAL A 18 7.772 4.150 -14.891 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.145 3.587 -12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.655 2.164 -13.453 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.359 2.379 -12.989 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.484 5.371 -13.507 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.724 4.218 -14.055 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.952 5.316 -15.223 1.00 0.00 H new ATOM 305 N GLN A 19 8.834 0.326 -15.560 1.00 0.00 N ATOM 306 CA GLN A 19 8.227 -0.967 -15.860 1.00 0.00 C ATOM 307 C GLN A 19 6.881 -1.123 -15.148 1.00 0.00 C ATOM 308 O GLN A 19 5.957 -1.715 -15.705 1.00 0.00 O ATOM 309 CB GLN A 19 9.228 -2.085 -15.506 1.00 0.00 C ATOM 310 CG GLN A 19 8.815 -3.486 -15.999 1.00 0.00 C ATOM 311 CD GLN A 19 8.151 -4.342 -14.914 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.799 -5.158 -14.264 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.856 -4.186 -14.685 1.00 0.00 N ATOM 0 H GLN A 19 9.712 0.259 -15.046 1.00 0.00 H new ATOM 0 HA GLN A 19 8.007 -1.037 -16.925 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.200 -1.835 -15.932 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.353 -2.116 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.128 -3.380 -16.839 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.697 -4.006 -16.373 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.320 -3.507 -15.226 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.394 -4.744 -13.967 1.00 0.00 H new ATOM 322 N GLY A 20 6.761 -0.584 -13.934 1.00 0.00 N ATOM 323 CA GLY A 20 5.540 -0.648 -13.135 1.00 0.00 C ATOM 324 C GLY A 20 4.507 0.411 -13.532 1.00 0.00 C ATOM 325 O GLY A 20 3.413 0.428 -12.966 1.00 0.00 O ATOM 0 H GLY A 20 7.521 -0.084 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.096 -1.638 -13.240 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.794 -0.522 -12.083 1.00 0.00 H new ATOM 329 N ALA A 21 4.839 1.308 -14.468 1.00 0.00 N ATOM 330 CA ALA A 21 3.934 2.356 -14.915 1.00 0.00 C ATOM 331 C ALA A 21 2.851 1.793 -15.823 1.00 0.00 C ATOM 332 O ALA A 21 2.959 0.696 -16.377 1.00 0.00 O ATOM 333 CB ALA A 21 4.704 3.442 -15.680 1.00 0.00 C ATOM 0 H ALA A 21 5.746 1.322 -14.934 1.00 0.00 H new ATOM 0 HA ALA A 21 3.471 2.787 -14.028 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.011 4.217 -16.007 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.459 3.881 -15.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.190 2.999 -16.550 1.00 0.00 H new ATOM 339 N ILE A 22 1.851 2.639 -16.033 1.00 0.00 N ATOM 340 CA ILE A 22 0.802 2.499 -17.017 1.00 0.00 C ATOM 341 C ILE A 22 0.677 3.891 -17.641 1.00 0.00 C ATOM 342 O ILE A 22 0.696 4.890 -16.916 1.00 0.00 O ATOM 343 CB ILE A 22 -0.492 1.962 -16.360 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.960 2.759 -15.117 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.323 0.465 -16.034 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.297 2.274 -14.540 1.00 0.00 C ATOM 0 H ILE A 22 1.751 3.492 -15.483 1.00 0.00 H new ATOM 0 HA ILE A 22 1.016 1.765 -17.794 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.290 2.098 -17.090 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.195 2.691 -14.344 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.050 3.812 -15.384 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.235 0.088 -15.571 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.127 -0.088 -16.953 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.513 0.334 -15.347 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.560 2.879 -13.672 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.075 2.368 -15.297 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.207 1.230 -14.240 1.00 0.00 H new ATOM 358 N ASN A 23 0.663 3.969 -18.974 1.00 0.00 N ATOM 359 CA ASN A 23 0.685 5.242 -19.688 1.00 0.00 C ATOM 360 C ASN A 23 -0.730 5.802 -19.762 1.00 0.00 C ATOM 361 O ASN A 23 -1.603 5.209 -20.401 1.00 0.00 O ATOM 362 CB ASN A 23 1.279 5.084 -21.092 1.00 0.00 C ATOM 363 CG ASN A 23 1.196 6.396 -21.867 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.397 6.530 -22.788 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.991 7.390 -21.511 1.00 0.00 N ATOM 0 H ASN A 23 0.636 3.152 -19.585 1.00 0.00 H new ATOM 0 HA ASN A 23 1.322 5.938 -19.143 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.319 4.765 -21.018 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.744 4.303 -21.632 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.945 8.282 -22.004 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.651 7.265 -20.743 1.00 0.00 H new ATOM 372 N ILE A 24 -0.944 6.944 -19.117 1.00 0.00 N ATOM 373 CA ILE A 24 -2.210 7.660 -19.042 1.00 0.00 C ATOM 374 C ILE A 24 -1.890 9.151 -19.263 1.00 0.00 C ATOM 375 O ILE A 24 -1.719 9.880 -18.287 1.00 0.00 O ATOM 376 CB ILE A 24 -2.941 7.383 -17.701 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.042 5.875 -17.364 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.341 8.004 -17.795 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.891 5.547 -16.128 1.00 0.00 C ATOM 0 H ILE A 24 -0.199 7.419 -18.606 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.905 7.319 -19.809 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.362 7.829 -16.893 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.461 5.352 -18.224 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.036 5.483 -17.211 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.881 7.826 -16.865 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.252 9.077 -17.963 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.885 7.551 -18.623 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.904 4.468 -15.971 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.464 6.036 -15.253 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.910 5.903 -16.281 1.00 0.00 H new ATOM 391 N PRO A 25 -1.723 9.607 -20.521 1.00 0.00 N ATOM 392 CA PRO A 25 -1.283 10.960 -20.846 1.00 0.00 C ATOM 393 C PRO A 25 -2.075 12.055 -20.125 1.00 0.00 C ATOM 394 O PRO A 25 -3.266 11.893 -19.852 1.00 0.00 O ATOM 395 CB PRO A 25 -1.426 11.093 -22.367 1.00 0.00 C ATOM 396 CG PRO A 25 -1.289 9.656 -22.861 1.00 0.00 C ATOM 397 CD PRO A 25 -1.952 8.855 -21.745 1.00 0.00 C ATOM 0 HA PRO A 25 -0.256 11.101 -20.510 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.388 11.523 -22.644 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.655 11.738 -22.788 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.788 9.507 -23.818 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.246 9.372 -22.998 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.018 8.732 -21.934 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.523 7.855 -21.675 1.00 0.00 H new ATOM 405 N LEU A 26 -1.430 13.207 -19.911 1.00 0.00 N ATOM 406 CA LEU A 26 -1.992 14.403 -19.277 1.00 0.00 C ATOM 407 C LEU A 26 -3.399 14.729 -19.791 1.00 0.00 C ATOM 408 O LEU A 26 -4.297 14.993 -18.994 1.00 0.00 O ATOM 409 CB LEU A 26 -0.998 15.565 -19.511 1.00 0.00 C ATOM 410 CG LEU A 26 -1.284 16.937 -18.861 1.00 0.00 C ATOM 411 CD1 LEU A 26 -2.431 17.737 -19.490 1.00 0.00 C ATOM 412 CD2 LEU A 26 -1.491 16.826 -17.351 1.00 0.00 C ATOM 0 H LEU A 26 -0.457 13.336 -20.188 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.118 14.231 -18.208 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.018 15.235 -19.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.921 15.720 -20.587 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.377 17.507 -19.065 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.549 18.682 -18.960 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.205 17.934 -20.538 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.356 17.164 -19.419 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.689 17.815 -16.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.338 16.171 -17.147 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.594 16.413 -16.890 1.00 0.00 H new ATOM 424 N LYS A 27 -3.613 14.664 -21.111 1.00 0.00 N ATOM 425 CA LYS A 27 -4.895 15.019 -21.727 1.00 0.00 C ATOM 426 C LYS A 27 -6.033 14.055 -21.364 1.00 0.00 C ATOM 427 O LYS A 27 -7.195 14.394 -21.590 1.00 0.00 O ATOM 428 CB LYS A 27 -4.759 15.107 -23.259 1.00 0.00 C ATOM 429 CG LYS A 27 -3.727 16.156 -23.708 1.00 0.00 C ATOM 430 CD LYS A 27 -3.845 16.512 -25.201 1.00 0.00 C ATOM 431 CE LYS A 27 -3.628 15.336 -26.169 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.215 14.878 -26.225 1.00 0.00 N ATOM 0 H LYS A 27 -2.903 14.364 -21.780 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.161 15.995 -21.321 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.472 14.131 -23.650 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.729 15.351 -23.692 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.853 17.060 -23.113 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.724 15.780 -23.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.834 16.934 -25.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.119 17.292 -25.432 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.262 14.503 -25.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.947 15.632 -27.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.133 14.085 -26.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.608 15.661 -26.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.913 14.567 -25.280 1.00 0.00 H new ATOM 446 N GLU A 28 -5.733 12.868 -20.832 1.00 0.00 N ATOM 447 CA GLU A 28 -6.694 11.782 -20.639 1.00 0.00 C ATOM 448 C GLU A 28 -6.786 11.355 -19.171 1.00 0.00 C ATOM 449 O GLU A 28 -7.780 10.743 -18.770 1.00 0.00 O ATOM 450 CB GLU A 28 -6.297 10.572 -21.494 1.00 0.00 C ATOM 451 CG GLU A 28 -6.054 10.876 -22.981 1.00 0.00 C ATOM 452 CD GLU A 28 -5.866 9.592 -23.813 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.399 8.563 -23.272 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.184 9.611 -25.025 1.00 0.00 O ATOM 0 H GLU A 28 -4.793 12.631 -20.516 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.671 12.154 -20.946 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.391 10.133 -21.076 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.081 9.819 -21.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.896 11.444 -23.377 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.170 11.505 -23.082 1.00 0.00 H new ATOM 461 N VAL A 29 -5.782 11.692 -18.351 1.00 0.00 N ATOM 462 CA VAL A 29 -5.740 11.389 -16.923 1.00 0.00 C ATOM 463 C VAL A 29 -7.026 11.845 -16.213 1.00 0.00 C ATOM 464 O VAL A 29 -7.484 11.159 -15.303 1.00 0.00 O ATOM 465 CB VAL A 29 -4.425 11.951 -16.310 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.517 13.423 -15.879 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.968 11.096 -15.120 1.00 0.00 C ATOM 0 H VAL A 29 -4.957 12.196 -18.676 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.715 10.310 -16.771 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.689 11.903 -17.112 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.561 13.740 -15.462 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.759 14.041 -16.744 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.296 13.533 -15.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.047 11.508 -14.708 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.742 11.098 -14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.790 10.074 -15.453 1.00 0.00 H new ATOM 477 N LYS A 30 -7.658 12.937 -16.671 1.00 0.00 N ATOM 478 CA LYS A 30 -8.878 13.492 -16.077 1.00 0.00 C ATOM 479 C LYS A 30 -10.097 12.560 -16.181 1.00 0.00 C ATOM 480 O LYS A 30 -11.128 12.844 -15.576 1.00 0.00 O ATOM 481 CB LYS A 30 -9.157 14.887 -16.674 1.00 0.00 C ATOM 482 CG LYS A 30 -10.040 15.744 -15.747 1.00 0.00 C ATOM 483 CD LYS A 30 -9.976 17.241 -16.084 1.00 0.00 C ATOM 484 CE LYS A 30 -10.605 18.041 -14.932 1.00 0.00 C ATOM 485 NZ LYS A 30 -10.500 19.507 -15.125 1.00 0.00 N ATOM 0 H LYS A 30 -7.328 13.466 -17.478 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.702 13.592 -15.006 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.212 15.401 -16.852 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.647 14.776 -17.641 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.073 15.403 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.727 15.595 -14.714 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.941 17.549 -16.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.507 17.440 -17.015 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.655 17.766 -14.836 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.117 17.767 -13.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.668 19.989 -14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.549 19.744 -15.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.209 19.817 -15.819 1.00 0.00 H new ATOM 499 N GLU A 31 -10.011 11.453 -16.924 1.00 0.00 N ATOM 500 CA GLU A 31 -11.077 10.456 -16.999 1.00 0.00 C ATOM 501 C GLU A 31 -10.509 9.067 -16.710 1.00 0.00 C ATOM 502 O GLU A 31 -11.035 8.347 -15.860 1.00 0.00 O ATOM 503 CB GLU A 31 -11.752 10.499 -18.381 1.00 0.00 C ATOM 504 CG GLU A 31 -12.508 11.812 -18.635 1.00 0.00 C ATOM 505 CD GLU A 31 -13.251 11.783 -19.982 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.671 12.186 -21.016 1.00 0.00 O ATOM 507 OE2 GLU A 31 -14.435 11.375 -20.022 1.00 0.00 O ATOM 0 H GLU A 31 -9.195 11.224 -17.492 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.833 10.683 -16.248 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.995 10.366 -19.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.446 9.663 -18.467 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.221 11.985 -17.829 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.806 12.646 -18.623 1.00 0.00 H new ATOM 514 N ARG A 32 -9.403 8.697 -17.366 1.00 0.00 N ATOM 515 CA ARG A 32 -8.846 7.343 -17.295 1.00 0.00 C ATOM 516 C ARG A 32 -8.378 6.959 -15.890 1.00 0.00 C ATOM 517 O ARG A 32 -8.317 5.767 -15.579 1.00 0.00 O ATOM 518 CB ARG A 32 -7.686 7.223 -18.290 1.00 0.00 C ATOM 519 CG ARG A 32 -8.131 7.213 -19.763 1.00 0.00 C ATOM 520 CD ARG A 32 -6.930 7.117 -20.717 1.00 0.00 C ATOM 521 NE ARG A 32 -6.208 5.838 -20.579 1.00 0.00 N ATOM 522 CZ ARG A 32 -4.974 5.590 -21.037 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.363 6.431 -21.865 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.333 4.497 -20.643 1.00 0.00 N ATOM 0 H ARG A 32 -8.869 9.330 -17.962 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.645 6.648 -17.553 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.998 8.054 -18.134 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.133 6.307 -18.081 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.801 6.371 -19.935 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.696 8.120 -19.979 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.275 7.228 -21.745 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.245 7.942 -20.520 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.688 5.080 -20.095 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.834 7.285 -22.164 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.423 6.223 -22.202 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.780 3.850 -19.994 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.393 4.304 -20.989 1.00 0.00 H new ATOM 538 N ILE A 33 -8.059 7.930 -15.028 1.00 0.00 N ATOM 539 CA ILE A 33 -7.663 7.638 -13.655 1.00 0.00 C ATOM 540 C ILE A 33 -8.767 6.880 -12.905 1.00 0.00 C ATOM 541 O ILE A 33 -8.443 6.043 -12.068 1.00 0.00 O ATOM 542 CB ILE A 33 -7.249 8.934 -12.927 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.477 8.647 -11.619 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.478 9.829 -12.668 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.084 8.045 -11.844 1.00 0.00 C ATOM 0 H ILE A 33 -8.069 8.923 -15.261 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.794 6.981 -13.678 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.565 9.472 -13.583 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.375 9.575 -11.057 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.063 7.964 -11.004 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.165 10.738 -12.154 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.943 10.092 -13.618 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.196 9.291 -12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.603 7.871 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.178 7.100 -12.379 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.480 8.736 -12.432 1.00 0.00 H new ATOM 557 N ALA A 34 -10.051 7.126 -13.205 1.00 0.00 N ATOM 558 CA ALA A 34 -11.149 6.530 -12.452 1.00 0.00 C ATOM 559 C ALA A 34 -11.146 5.007 -12.607 1.00 0.00 C ATOM 560 O ALA A 34 -11.360 4.285 -11.634 1.00 0.00 O ATOM 561 CB ALA A 34 -12.482 7.124 -12.921 1.00 0.00 C ATOM 0 H ALA A 34 -10.348 7.736 -13.967 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.017 6.758 -11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.299 6.676 -12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.477 8.202 -12.759 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.619 6.917 -13.982 1.00 0.00 H new ATOM 567 N THR A 35 -10.876 4.518 -13.818 1.00 0.00 N ATOM 568 CA THR A 35 -10.733 3.098 -14.100 1.00 0.00 C ATOM 569 C THR A 35 -9.415 2.548 -13.532 1.00 0.00 C ATOM 570 O THR A 35 -9.388 1.410 -13.058 1.00 0.00 O ATOM 571 CB THR A 35 -10.856 2.874 -15.625 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.419 3.995 -16.383 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.322 2.647 -16.011 1.00 0.00 C ATOM 0 H THR A 35 -10.750 5.110 -14.639 1.00 0.00 H new ATOM 0 HA THR A 35 -11.530 2.543 -13.604 1.00 0.00 H new ATOM 0 HB THR A 35 -10.229 2.010 -15.847 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.604 4.363 -15.983 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.395 2.491 -17.087 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.704 1.769 -15.490 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.911 3.520 -15.731 1.00 0.00 H new ATOM 581 N ALA A 36 -8.331 3.335 -13.554 1.00 0.00 N ATOM 582 CA ALA A 36 -7.022 2.888 -13.090 1.00 0.00 C ATOM 583 C ALA A 36 -6.974 2.742 -11.562 1.00 0.00 C ATOM 584 O ALA A 36 -6.446 1.748 -11.061 1.00 0.00 O ATOM 585 CB ALA A 36 -5.949 3.873 -13.566 1.00 0.00 C ATOM 0 H ALA A 36 -8.342 4.297 -13.894 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.831 1.902 -13.513 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.970 3.540 -13.220 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.953 3.917 -14.655 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.159 4.863 -13.162 1.00 0.00 H new ATOM 591 N VAL A 37 -7.513 3.719 -10.827 1.00 0.00 N ATOM 592 CA VAL A 37 -7.425 3.828 -9.375 1.00 0.00 C ATOM 593 C VAL A 37 -8.760 4.399 -8.858 1.00 0.00 C ATOM 594 O VAL A 37 -8.893 5.618 -8.710 1.00 0.00 O ATOM 595 CB VAL A 37 -6.198 4.651 -8.922 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.896 4.332 -7.451 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.916 4.412 -9.741 1.00 0.00 C ATOM 0 H VAL A 37 -8.042 4.483 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.267 2.842 -8.938 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.472 5.695 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.031 4.909 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.759 4.592 -6.838 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.683 3.268 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.112 5.034 -9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.630 3.362 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.097 4.671 -10.784 1.00 0.00 H new ATOM 607 N PRO A 38 -9.779 3.551 -8.625 1.00 0.00 N ATOM 608 CA PRO A 38 -11.088 4.015 -8.176 1.00 0.00 C ATOM 609 C PRO A 38 -11.065 4.499 -6.718 1.00 0.00 C ATOM 610 O PRO A 38 -11.843 5.386 -6.363 1.00 0.00 O ATOM 611 CB PRO A 38 -12.030 2.823 -8.376 1.00 0.00 C ATOM 612 CG PRO A 38 -11.111 1.608 -8.271 1.00 0.00 C ATOM 613 CD PRO A 38 -9.795 2.113 -8.860 1.00 0.00 C ATOM 0 HA PRO A 38 -11.419 4.884 -8.745 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.812 2.800 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.528 2.865 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.991 1.282 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.502 0.758 -8.830 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.942 1.630 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.733 1.890 -9.925 1.00 0.00 H new ATOM 621 N ASP A 39 -10.188 3.948 -5.868 1.00 0.00 N ATOM 622 CA ASP A 39 -9.968 4.451 -4.510 1.00 0.00 C ATOM 623 C ASP A 39 -9.057 5.668 -4.589 1.00 0.00 C ATOM 624 O ASP A 39 -7.832 5.549 -4.666 1.00 0.00 O ATOM 625 CB ASP A 39 -9.373 3.380 -3.585 1.00 0.00 C ATOM 626 CG ASP A 39 -9.051 3.925 -2.175 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.387 5.089 -1.853 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.487 3.157 -1.364 1.00 0.00 O ATOM 0 H ASP A 39 -9.612 3.140 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.929 4.729 -4.077 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.074 2.550 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.463 2.983 -4.034 1.00 0.00 H new ATOM 633 N LYS A 40 -9.662 6.853 -4.589 1.00 0.00 N ATOM 634 CA LYS A 40 -8.940 8.104 -4.778 1.00 0.00 C ATOM 635 C LYS A 40 -8.019 8.465 -3.601 1.00 0.00 C ATOM 636 O LYS A 40 -7.266 9.437 -3.703 1.00 0.00 O ATOM 637 CB LYS A 40 -9.922 9.240 -5.092 1.00 0.00 C ATOM 638 CG LYS A 40 -10.990 8.903 -6.149 1.00 0.00 C ATOM 639 CD LYS A 40 -11.745 10.142 -6.657 1.00 0.00 C ATOM 640 CE LYS A 40 -12.531 10.847 -5.541 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.371 11.952 -6.066 1.00 0.00 N ATOM 0 H LYS A 40 -10.667 6.971 -4.458 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.277 7.960 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.424 9.531 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.355 10.106 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.513 8.404 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.704 8.198 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.034 10.843 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.432 9.846 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.164 10.122 -5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.835 11.241 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.805 12.465 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.780 12.605 -6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.118 11.561 -6.675 1.00 0.00 H new ATOM 655 N ASN A 41 -8.070 7.718 -2.491 1.00 0.00 N ATOM 656 CA ASN A 41 -7.184 7.910 -1.343 1.00 0.00 C ATOM 657 C ASN A 41 -5.986 6.953 -1.417 1.00 0.00 C ATOM 658 O ASN A 41 -5.088 7.034 -0.578 1.00 0.00 O ATOM 659 CB ASN A 41 -7.976 7.711 -0.034 1.00 0.00 C ATOM 660 CG ASN A 41 -7.453 8.544 1.139 1.00 0.00 C ATOM 661 OD1 ASN A 41 -8.198 9.319 1.733 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.194 8.417 1.521 1.00 0.00 N ATOM 0 H ASN A 41 -8.736 6.956 -2.366 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.794 8.928 -1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.021 7.966 -0.211 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.947 6.656 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.842 8.962 2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.574 7.774 1.029 1.00 0.00 H new ATOM 669 N ASP A 42 -5.949 6.026 -2.379 1.00 0.00 N ATOM 670 CA ASP A 42 -4.782 5.170 -2.591 1.00 0.00 C ATOM 671 C ASP A 42 -3.607 6.020 -3.086 1.00 0.00 C ATOM 672 O ASP A 42 -3.827 7.065 -3.709 1.00 0.00 O ATOM 673 CB ASP A 42 -5.113 4.059 -3.592 1.00 0.00 C ATOM 674 CG ASP A 42 -4.040 2.967 -3.556 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.837 2.394 -2.462 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.426 2.670 -4.603 1.00 0.00 O ATOM 0 H ASP A 42 -6.719 5.850 -3.025 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.502 4.700 -1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.086 3.628 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.183 4.476 -4.597 1.00 0.00 H new ATOM 681 N THR A 43 -2.363 5.621 -2.809 1.00 0.00 N ATOM 682 CA THR A 43 -1.205 6.428 -3.189 1.00 0.00 C ATOM 683 C THR A 43 -1.011 6.351 -4.708 1.00 0.00 C ATOM 684 O THR A 43 -0.962 5.256 -5.271 1.00 0.00 O ATOM 685 CB THR A 43 0.049 5.992 -2.414 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.277 5.730 -1.063 1.00 0.00 O ATOM 687 CG2 THR A 43 1.143 7.063 -2.457 1.00 0.00 C ATOM 0 H THR A 43 -2.135 4.751 -2.327 1.00 0.00 H new ATOM 0 HA THR A 43 -1.381 7.470 -2.922 1.00 0.00 H new ATOM 0 HB THR A 43 0.425 5.088 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.562 4.797 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.013 6.717 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.428 7.251 -3.492 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.768 7.984 -2.011 1.00 0.00 H new ATOM 695 N VAL A 44 -0.871 7.498 -5.374 1.00 0.00 N ATOM 696 CA VAL A 44 -0.779 7.583 -6.829 1.00 0.00 C ATOM 697 C VAL A 44 0.413 8.476 -7.149 1.00 0.00 C ATOM 698 O VAL A 44 0.325 9.705 -7.127 1.00 0.00 O ATOM 699 CB VAL A 44 -2.133 8.043 -7.420 1.00 0.00 C ATOM 700 CG1 VAL A 44 -2.067 8.384 -8.917 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.201 6.954 -7.255 1.00 0.00 C ATOM 0 H VAL A 44 -0.818 8.405 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.597 6.618 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.388 8.945 -6.863 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.052 8.698 -9.262 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.352 9.192 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.750 7.504 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.143 7.302 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.882 6.050 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.338 6.736 -6.196 1.00 0.00 H new ATOM 711 N LYS A 45 1.560 7.840 -7.391 1.00 0.00 N ATOM 712 CA LYS A 45 2.749 8.533 -7.863 1.00 0.00 C ATOM 713 C LYS A 45 2.568 8.814 -9.349 1.00 0.00 C ATOM 714 O LYS A 45 2.209 7.908 -10.105 1.00 0.00 O ATOM 715 CB LYS A 45 3.989 7.667 -7.606 1.00 0.00 C ATOM 716 CG LYS A 45 4.414 7.744 -6.131 1.00 0.00 C ATOM 717 CD LYS A 45 5.452 6.666 -5.805 1.00 0.00 C ATOM 718 CE LYS A 45 6.030 6.872 -4.399 1.00 0.00 C ATOM 719 NZ LYS A 45 6.884 5.733 -3.985 1.00 0.00 N ATOM 0 H LYS A 45 1.686 6.836 -7.265 1.00 0.00 H new ATOM 0 HA LYS A 45 2.889 9.474 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.777 6.632 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.809 8.000 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.828 8.730 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.541 7.620 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.992 5.680 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.256 6.694 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.614 7.792 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.216 6.995 -3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.146 5.841 -2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.361 4.843 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.745 5.715 -4.568 1.00 0.00 H new ATOM 733 N VAL A 46 2.868 10.037 -9.774 1.00 0.00 N ATOM 734 CA VAL A 46 2.858 10.433 -11.180 1.00 0.00 C ATOM 735 C VAL A 46 4.234 10.997 -11.548 1.00 0.00 C ATOM 736 O VAL A 46 4.862 11.683 -10.733 1.00 0.00 O ATOM 737 CB VAL A 46 1.682 11.398 -11.472 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.325 10.738 -11.182 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.710 12.713 -10.677 1.00 0.00 C ATOM 0 H VAL A 46 3.129 10.794 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 46 2.683 9.569 -11.821 1.00 0.00 H new ATOM 0 HB VAL A 46 1.807 11.631 -12.530 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.477 11.444 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.209 9.854 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.279 10.447 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.848 13.321 -10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.677 12.494 -9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.626 13.258 -10.907 1.00 0.00 H new ATOM 749 N TYR A 47 4.703 10.735 -12.768 1.00 0.00 N ATOM 750 CA TYR A 47 5.961 11.226 -13.323 1.00 0.00 C ATOM 751 C TYR A 47 5.826 11.337 -14.847 1.00 0.00 C ATOM 752 O TYR A 47 4.945 10.717 -15.452 1.00 0.00 O ATOM 753 CB TYR A 47 7.142 10.323 -12.912 1.00 0.00 C ATOM 754 CG TYR A 47 6.844 8.833 -12.921 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.692 8.134 -14.135 1.00 0.00 C ATOM 756 CD2 TYR A 47 6.677 8.155 -11.698 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.362 6.768 -14.123 1.00 0.00 C ATOM 758 CE2 TYR A 47 6.378 6.785 -11.678 1.00 0.00 C ATOM 759 CZ TYR A 47 6.206 6.088 -12.894 1.00 0.00 C ATOM 760 OH TYR A 47 5.895 4.765 -12.890 1.00 0.00 O ATOM 0 H TYR A 47 4.191 10.147 -13.426 1.00 0.00 H new ATOM 0 HA TYR A 47 6.175 12.215 -12.919 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.978 10.515 -13.584 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.466 10.607 -11.911 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.829 8.648 -15.075 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.780 8.694 -10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.227 6.237 -15.054 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.280 6.265 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 47 4.921 4.658 -12.885 1.00 0.00 H new ATOM 770 N CYS A 48 6.693 12.144 -15.461 1.00 0.00 N ATOM 771 CA CYS A 48 6.795 12.346 -16.901 1.00 0.00 C ATOM 772 C CYS A 48 8.218 12.813 -17.211 1.00 0.00 C ATOM 773 O CYS A 48 8.936 13.223 -16.298 1.00 0.00 O ATOM 774 CB CYS A 48 5.781 13.414 -17.350 1.00 0.00 C ATOM 775 SG CYS A 48 6.249 15.052 -16.727 1.00 0.00 S ATOM 0 H CYS A 48 7.373 12.698 -14.941 1.00 0.00 H new ATOM 0 HA CYS A 48 6.578 11.419 -17.432 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.728 13.436 -18.438 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.787 13.153 -16.987 1.00 0.00 H new ATOM 0 HG CYS A 48 6.190 15.055 -15.428 1.00 0.00 H new ATOM 781 N ASN A 49 8.603 12.858 -18.486 1.00 0.00 N ATOM 782 CA ASN A 49 9.931 13.273 -18.954 1.00 0.00 C ATOM 783 C ASN A 49 10.466 14.587 -18.356 1.00 0.00 C ATOM 784 O ASN A 49 11.683 14.755 -18.287 1.00 0.00 O ATOM 785 CB ASN A 49 9.926 13.373 -20.489 1.00 0.00 C ATOM 786 CG ASN A 49 11.340 13.566 -21.039 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.219 12.739 -20.820 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.589 14.640 -21.772 1.00 0.00 N ATOM 0 H ASN A 49 7.979 12.598 -19.250 1.00 0.00 H new ATOM 0 HA ASN A 49 10.613 12.500 -18.600 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.489 12.469 -20.913 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.296 14.207 -20.799 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.520 14.787 -22.162 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.850 15.321 -21.947 1.00 0.00 H new ATOM 795 N ALA A 50 9.593 15.509 -17.922 1.00 0.00 N ATOM 796 CA ALA A 50 9.974 16.866 -17.520 1.00 0.00 C ATOM 797 C ALA A 50 9.558 17.238 -16.085 1.00 0.00 C ATOM 798 O ALA A 50 9.821 18.365 -15.662 1.00 0.00 O ATOM 799 CB ALA A 50 9.381 17.852 -18.538 1.00 0.00 C ATOM 0 H ALA A 50 8.592 15.328 -17.841 1.00 0.00 H new ATOM 0 HA ALA A 50 11.063 16.916 -17.514 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.652 18.870 -18.259 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.774 17.631 -19.530 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.295 17.755 -18.548 1.00 0.00 H new ATOM 805 N GLY A 51 8.889 16.353 -15.336 1.00 0.00 N ATOM 806 CA GLY A 51 8.352 16.608 -14.000 1.00 0.00 C ATOM 807 C GLY A 51 7.105 17.493 -14.028 1.00 0.00 C ATOM 808 O GLY A 51 6.095 17.151 -13.411 1.00 0.00 O ATOM 0 H GLY A 51 8.701 15.404 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.109 15.659 -13.523 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.118 17.085 -13.389 1.00 0.00 H new ATOM 812 N ARG A 52 7.131 18.599 -14.779 1.00 0.00 N ATOM 813 CA ARG A 52 6.071 19.601 -14.759 1.00 0.00 C ATOM 814 C ARG A 52 4.723 19.027 -15.155 1.00 0.00 C ATOM 815 O ARG A 52 3.734 19.346 -14.496 1.00 0.00 O ATOM 816 CB ARG A 52 6.434 20.795 -15.669 1.00 0.00 C ATOM 817 CG ARG A 52 5.300 21.839 -15.795 1.00 0.00 C ATOM 818 CD ARG A 52 5.006 22.531 -14.452 1.00 0.00 C ATOM 819 NE ARG A 52 3.724 23.264 -14.443 1.00 0.00 N ATOM 820 CZ ARG A 52 2.631 22.913 -13.747 1.00 0.00 C ATOM 821 NH1 ARG A 52 2.505 21.713 -13.197 1.00 0.00 N ATOM 822 NH2 ARG A 52 1.619 23.753 -13.581 1.00 0.00 N ATOM 0 H ARG A 52 7.893 18.821 -15.419 1.00 0.00 H new ATOM 0 HA ARG A 52 5.983 19.949 -13.730 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.326 21.284 -15.276 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.686 20.422 -16.662 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.577 22.588 -16.537 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.395 21.351 -16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.994 21.782 -13.660 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.815 23.225 -14.223 1.00 0.00 H new ATOM 0 HE ARG A 52 3.664 24.108 -15.013 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.252 21.025 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.661 21.478 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.661 24.688 -13.986 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.799 23.464 -13.048 1.00 0.00 H new ATOM 836 N GLN A 53 4.664 18.239 -16.227 1.00 0.00 N ATOM 837 CA GLN A 53 3.397 17.740 -16.752 1.00 0.00 C ATOM 838 C GLN A 53 2.806 16.703 -15.795 1.00 0.00 C ATOM 839 O GLN A 53 1.592 16.654 -15.632 1.00 0.00 O ATOM 840 CB GLN A 53 3.571 17.196 -18.176 1.00 0.00 C ATOM 841 CG GLN A 53 4.139 18.235 -19.159 1.00 0.00 C ATOM 842 CD GLN A 53 4.265 17.661 -20.570 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.331 17.209 -20.983 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.188 17.653 -21.340 1.00 0.00 N ATOM 0 H GLN A 53 5.484 17.932 -16.750 1.00 0.00 H new ATOM 0 HA GLN A 53 2.687 18.564 -16.820 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.234 16.331 -18.149 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.607 16.847 -18.544 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.491 19.111 -19.178 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.117 18.569 -18.812 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.308 18.030 -20.989 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.239 17.270 -22.284 1.00 0.00 H new ATOM 853 N SER A 54 3.627 15.930 -15.080 1.00 0.00 N ATOM 854 CA SER A 54 3.128 15.111 -13.983 1.00 0.00 C ATOM 855 C SER A 54 2.638 15.988 -12.831 1.00 0.00 C ATOM 856 O SER A 54 1.638 15.654 -12.204 1.00 0.00 O ATOM 857 CB SER A 54 4.166 14.076 -13.558 1.00 0.00 C ATOM 858 OG SER A 54 5.503 14.509 -13.756 1.00 0.00 O ATOM 0 H SER A 54 4.631 15.857 -15.242 1.00 0.00 H new ATOM 0 HA SER A 54 2.262 14.546 -14.328 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.021 13.837 -12.504 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.002 13.156 -14.119 1.00 0.00 H new ATOM 0 HG SER A 54 5.571 15.465 -13.553 1.00 0.00 H new ATOM 864 N GLY A 55 3.268 17.141 -12.596 1.00 0.00 N ATOM 865 CA GLY A 55 2.745 18.165 -11.706 1.00 0.00 C ATOM 866 C GLY A 55 1.339 18.586 -12.145 1.00 0.00 C ATOM 867 O GLY A 55 0.428 18.604 -11.322 1.00 0.00 O ATOM 0 H GLY A 55 4.161 17.386 -13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.716 17.787 -10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.408 19.030 -11.707 1.00 0.00 H new ATOM 871 N GLN A 56 1.123 18.844 -13.442 1.00 0.00 N ATOM 872 CA GLN A 56 -0.193 19.205 -13.969 1.00 0.00 C ATOM 873 C GLN A 56 -1.187 18.069 -13.757 1.00 0.00 C ATOM 874 O GLN A 56 -2.312 18.319 -13.335 1.00 0.00 O ATOM 875 CB GLN A 56 -0.153 19.517 -15.468 1.00 0.00 C ATOM 876 CG GLN A 56 0.724 20.699 -15.861 1.00 0.00 C ATOM 877 CD GLN A 56 0.628 20.999 -17.358 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.098 20.230 -18.191 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.019 22.111 -17.738 1.00 0.00 N ATOM 0 H GLN A 56 1.856 18.808 -14.151 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.503 20.098 -13.426 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.199 18.632 -15.998 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.170 19.710 -15.810 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.424 21.580 -15.293 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.760 20.487 -15.598 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.369 22.745 -17.039 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.063 22.334 -18.730 1.00 0.00 H new ATOM 888 N ALA A 57 -0.786 16.820 -14.016 1.00 0.00 N ATOM 889 CA ALA A 57 -1.643 15.677 -13.744 1.00 0.00 C ATOM 890 C ALA A 57 -2.010 15.649 -12.263 1.00 0.00 C ATOM 891 O ALA A 57 -3.160 15.397 -11.922 1.00 0.00 O ATOM 892 CB ALA A 57 -0.965 14.374 -14.177 1.00 0.00 C ATOM 0 H ALA A 57 0.124 16.582 -14.412 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.561 15.774 -14.324 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.624 13.533 -13.964 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.757 14.410 -15.246 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.031 14.251 -13.629 1.00 0.00 H new ATOM 898 N LYS A 58 -1.068 15.968 -11.377 1.00 0.00 N ATOM 899 CA LYS A 58 -1.332 15.965 -9.938 1.00 0.00 C ATOM 900 C LYS A 58 -2.329 17.072 -9.590 1.00 0.00 C ATOM 901 O LYS A 58 -3.207 16.850 -8.758 1.00 0.00 O ATOM 902 CB LYS A 58 -0.021 16.093 -9.138 1.00 0.00 C ATOM 903 CG LYS A 58 -0.157 15.522 -7.712 1.00 0.00 C ATOM 904 CD LYS A 58 0.275 16.492 -6.603 1.00 0.00 C ATOM 905 CE LYS A 58 -0.753 17.623 -6.449 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.429 18.539 -5.327 1.00 0.00 N ATOM 0 H LYS A 58 -0.116 16.232 -11.629 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.780 15.011 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.777 15.569 -9.664 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.269 17.142 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.195 15.235 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.440 14.613 -7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.377 15.954 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.253 16.911 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.802 18.193 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.741 17.192 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.153 19.283 -5.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.408 18.003 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.501 18.974 -5.491 1.00 0.00 H new ATOM 920 N GLU A 59 -2.230 18.244 -10.221 1.00 0.00 N ATOM 921 CA GLU A 59 -3.187 19.337 -10.057 1.00 0.00 C ATOM 922 C GLU A 59 -4.581 18.893 -10.529 1.00 0.00 C ATOM 923 O GLU A 59 -5.561 19.105 -9.813 1.00 0.00 O ATOM 924 CB GLU A 59 -2.717 20.590 -10.825 1.00 0.00 C ATOM 925 CG GLU A 59 -1.464 21.251 -10.228 1.00 0.00 C ATOM 926 CD GLU A 59 -0.900 22.350 -11.150 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.397 23.499 -11.106 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.060 22.085 -11.913 1.00 0.00 O ATOM 0 H GLU A 59 -1.473 18.462 -10.868 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.247 19.596 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.513 20.315 -11.860 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.527 21.319 -10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.708 21.682 -9.257 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.700 20.493 -10.057 1.00 0.00 H new ATOM 935 N ILE A 60 -4.677 18.227 -11.688 1.00 0.00 N ATOM 936 CA ILE A 60 -5.931 17.683 -12.213 1.00 0.00 C ATOM 937 C ILE A 60 -6.522 16.709 -11.189 1.00 0.00 C ATOM 938 O ILE A 60 -7.695 16.823 -10.835 1.00 0.00 O ATOM 939 CB ILE A 60 -5.699 17.011 -13.594 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.386 18.065 -14.680 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.909 16.164 -14.030 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.907 17.450 -16.004 1.00 0.00 C ATOM 0 H ILE A 60 -3.875 18.050 -12.292 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.648 18.489 -12.372 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.840 16.349 -13.481 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.280 18.661 -14.866 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.621 18.746 -14.306 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.706 15.712 -15.001 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.088 15.380 -13.295 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.791 16.800 -14.104 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.705 18.245 -16.722 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.996 16.877 -15.831 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.680 16.791 -16.400 1.00 0.00 H new ATOM 954 N LEU A 61 -5.728 15.758 -10.696 1.00 0.00 N ATOM 955 CA LEU A 61 -6.230 14.743 -9.780 1.00 0.00 C ATOM 956 C LEU A 61 -6.631 15.362 -8.440 1.00 0.00 C ATOM 957 O LEU A 61 -7.591 14.901 -7.824 1.00 0.00 O ATOM 958 CB LEU A 61 -5.209 13.610 -9.597 1.00 0.00 C ATOM 959 CG LEU A 61 -4.894 12.785 -10.866 1.00 0.00 C ATOM 960 CD1 LEU A 61 -4.034 11.565 -10.519 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.155 12.337 -11.600 1.00 0.00 C ATOM 0 H LEU A 61 -4.736 15.672 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.127 14.306 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.279 14.039 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.578 12.933 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.340 13.443 -11.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.824 10.998 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.096 11.896 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.569 10.932 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.877 11.762 -12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.760 11.717 -10.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.730 13.212 -11.903 1.00 0.00 H new ATOM 973 N SER A 62 -5.961 16.431 -8.007 1.00 0.00 N ATOM 974 CA SER A 62 -6.358 17.175 -6.818 1.00 0.00 C ATOM 975 C SER A 62 -7.732 17.825 -7.029 1.00 0.00 C ATOM 976 O SER A 62 -8.571 17.771 -6.130 1.00 0.00 O ATOM 977 CB SER A 62 -5.296 18.224 -6.468 1.00 0.00 C ATOM 978 OG SER A 62 -4.021 17.622 -6.326 1.00 0.00 O ATOM 0 H SER A 62 -5.132 16.802 -8.471 1.00 0.00 H new ATOM 0 HA SER A 62 -6.439 16.484 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.259 18.985 -7.248 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.569 18.730 -5.542 1.00 0.00 H new ATOM 0 HG SER A 62 -3.596 17.545 -7.206 1.00 0.00 H new ATOM 984 N GLU A 63 -8.007 18.379 -8.217 1.00 0.00 N ATOM 985 CA GLU A 63 -9.320 18.930 -8.556 1.00 0.00 C ATOM 986 C GLU A 63 -10.383 17.818 -8.570 1.00 0.00 C ATOM 987 O GLU A 63 -11.503 18.029 -8.102 1.00 0.00 O ATOM 988 CB GLU A 63 -9.239 19.676 -9.901 1.00 0.00 C ATOM 989 CG GLU A 63 -10.532 20.435 -10.232 1.00 0.00 C ATOM 990 CD GLU A 63 -10.403 21.231 -11.542 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.712 20.678 -12.623 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.016 22.422 -11.502 1.00 0.00 O ATOM 0 H GLU A 63 -7.323 18.457 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.623 19.649 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.406 20.379 -9.873 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.027 18.962 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.358 19.729 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.775 21.115 -9.415 1.00 0.00 H new ATOM 999 N MET A 64 -10.024 16.615 -9.035 1.00 0.00 N ATOM 1000 CA MET A 64 -10.879 15.426 -8.983 1.00 0.00 C ATOM 1001 C MET A 64 -11.046 14.873 -7.558 1.00 0.00 C ATOM 1002 O MET A 64 -11.817 13.931 -7.357 1.00 0.00 O ATOM 1003 CB MET A 64 -10.329 14.327 -9.903 1.00 0.00 C ATOM 1004 CG MET A 64 -10.367 14.711 -11.384 1.00 0.00 C ATOM 1005 SD MET A 64 -9.719 13.421 -12.477 1.00 0.00 S ATOM 1006 CE MET A 64 -11.072 12.213 -12.396 1.00 0.00 C ATOM 0 H MET A 64 -9.116 16.439 -9.465 1.00 0.00 H new ATOM 0 HA MET A 64 -11.864 15.738 -9.328 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.301 14.103 -9.618 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.907 13.415 -9.755 1.00 0.00 H new ATOM 0 HG2 MET A 64 -11.395 14.935 -11.668 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.790 15.624 -11.530 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.906 11.431 -13.137 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.105 11.770 -11.401 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.019 12.713 -12.602 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.353 15.423 -6.559 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.523 15.047 -5.165 1.00 0.00 C ATOM 1018 C GLY A 65 -9.704 13.819 -4.768 1.00 0.00 C ATOM 1019 O GLY A 65 -10.072 13.148 -3.803 1.00 0.00 O ATOM 0 H GLY A 65 -9.652 16.150 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.237 15.887 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.578 14.849 -4.975 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.637 13.481 -5.501 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.670 12.496 -5.022 1.00 0.00 C ATOM 1025 C TYR A 66 -6.922 13.115 -3.840 1.00 0.00 C ATOM 1026 O TYR A 66 -6.657 14.321 -3.832 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.701 12.058 -6.130 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.280 11.068 -7.132 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.258 11.476 -8.061 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -6.880 9.717 -7.099 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -8.880 10.535 -8.901 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.502 8.768 -7.932 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.535 9.167 -8.810 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.232 8.244 -9.528 1.00 0.00 O ATOM 0 H TYR A 66 -8.425 13.872 -6.419 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.192 11.592 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.364 12.943 -6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.821 11.612 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.532 12.519 -8.128 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.091 9.408 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.622 10.858 -9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.190 7.735 -7.900 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.045 7.348 -9.178 1.00 0.00 H new ATOM 1044 N THR A 67 -6.552 12.290 -2.861 1.00 0.00 N ATOM 1045 CA THR A 67 -6.058 12.756 -1.563 1.00 0.00 C ATOM 1046 C THR A 67 -4.685 12.179 -1.194 1.00 0.00 C ATOM 1047 O THR A 67 -4.131 12.552 -0.157 1.00 0.00 O ATOM 1048 CB THR A 67 -7.132 12.460 -0.495 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.704 11.180 -0.704 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.264 13.491 -0.542 1.00 0.00 C ATOM 0 H THR A 67 -6.586 11.274 -2.945 1.00 0.00 H new ATOM 0 HA THR A 67 -5.890 13.832 -1.619 1.00 0.00 H new ATOM 0 HB THR A 67 -6.635 12.503 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.274 10.948 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.004 13.254 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.858 14.486 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.737 13.468 -1.524 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.095 11.320 -2.038 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.745 10.788 -1.828 1.00 0.00 C ATOM 1060 C HIS A 68 -1.980 10.685 -3.158 1.00 0.00 C ATOM 1061 O HIS A 68 -1.155 9.793 -3.368 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.824 9.483 -1.008 1.00 0.00 C ATOM 1063 CG HIS A 68 -1.707 9.330 -0.001 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -0.870 8.248 0.162 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.384 10.230 0.983 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -0.053 8.499 1.197 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -0.327 9.702 1.737 1.00 0.00 N ATOM 0 H HIS A 68 -4.544 10.975 -2.887 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.150 11.478 -1.230 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.780 9.450 -0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.805 8.634 -1.691 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.871 7.401 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.863 11.184 1.149 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.718 7.829 1.548 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.279 11.597 -4.084 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.510 11.795 -5.303 1.00 0.00 C ATOM 1077 C VAL A 69 -0.234 12.568 -4.966 1.00 0.00 C ATOM 1078 O VAL A 69 -0.245 13.431 -4.083 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.363 12.538 -6.350 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -3.301 11.542 -7.033 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.183 13.723 -5.801 1.00 0.00 C ATOM 0 H VAL A 69 -3.077 12.227 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.230 10.833 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.655 12.975 -7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.907 12.063 -7.775 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.713 10.767 -7.524 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.953 11.086 -6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.749 14.181 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.871 13.365 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.509 14.462 -5.367 1.00 0.00 H new ATOM 1091 N GLU A 70 0.857 12.293 -5.680 1.00 0.00 N ATOM 1092 CA GLU A 70 2.108 13.022 -5.533 1.00 0.00 C ATOM 1093 C GLU A 70 2.887 12.932 -6.845 1.00 0.00 C ATOM 1094 O GLU A 70 2.897 11.884 -7.494 1.00 0.00 O ATOM 1095 CB GLU A 70 2.903 12.422 -4.358 1.00 0.00 C ATOM 1096 CG GLU A 70 4.244 13.117 -4.087 1.00 0.00 C ATOM 1097 CD GLU A 70 4.094 14.622 -3.792 1.00 0.00 C ATOM 1098 OE1 GLU A 70 3.912 15.412 -4.745 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.166 15.022 -2.607 1.00 0.00 O ATOM 0 H GLU A 70 0.894 11.552 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 70 1.924 14.074 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.292 12.472 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.087 11.367 -4.560 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.733 12.634 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.896 12.985 -4.950 1.00 0.00 H new ATOM 1106 N ASN A 71 3.556 14.018 -7.236 1.00 0.00 N ATOM 1107 CA ASN A 71 4.509 13.968 -8.335 1.00 0.00 C ATOM 1108 C ASN A 71 5.838 13.488 -7.761 1.00 0.00 C ATOM 1109 O ASN A 71 6.477 14.212 -6.996 1.00 0.00 O ATOM 1110 CB ASN A 71 4.674 15.324 -9.039 1.00 0.00 C ATOM 1111 CG ASN A 71 5.884 15.317 -9.980 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.704 16.228 -9.955 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.047 14.287 -10.800 1.00 0.00 N ATOM 0 H ASN A 71 3.453 14.938 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 71 4.141 13.284 -9.100 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.771 15.555 -9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.794 16.111 -8.294 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.859 14.249 -11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.360 13.533 -10.815 1.00 0.00 H new ATOM 1120 N ALA A 72 6.247 12.268 -8.119 1.00 0.00 N ATOM 1121 CA ALA A 72 7.505 11.698 -7.649 1.00 0.00 C ATOM 1122 C ALA A 72 8.713 12.495 -8.168 1.00 0.00 C ATOM 1123 O ALA A 72 9.733 12.569 -7.482 1.00 0.00 O ATOM 1124 CB ALA A 72 7.586 10.229 -8.078 1.00 0.00 C ATOM 0 H ALA A 72 5.718 11.654 -8.738 1.00 0.00 H new ATOM 0 HA ALA A 72 7.532 11.755 -6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.525 9.799 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.751 9.677 -7.646 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.540 10.164 -9.165 1.00 0.00 H new ATOM 1130 N GLY A 73 8.601 13.095 -9.357 1.00 0.00 N ATOM 1131 CA GLY A 73 9.647 13.872 -10.010 1.00 0.00 C ATOM 1132 C GLY A 73 9.516 13.754 -11.519 1.00 0.00 C ATOM 1133 O GLY A 73 8.463 13.353 -12.026 1.00 0.00 O ATOM 0 H GLY A 73 7.744 13.048 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.575 14.918 -9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.627 13.517 -9.693 1.00 0.00 H new ATOM 1137 N GLY A 74 10.582 14.113 -12.233 1.00 0.00 N ATOM 1138 CA GLY A 74 10.689 13.844 -13.656 1.00 0.00 C ATOM 1139 C GLY A 74 11.255 12.445 -13.871 1.00 0.00 C ATOM 1140 O GLY A 74 11.917 11.891 -12.994 1.00 0.00 O ATOM 0 H GLY A 74 11.389 14.596 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.709 13.927 -14.127 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.334 14.585 -14.129 1.00 0.00 H new ATOM 1144 N LEU A 75 11.031 11.875 -15.054 1.00 0.00 N ATOM 1145 CA LEU A 75 11.398 10.502 -15.404 1.00 0.00 C ATOM 1146 C LEU A 75 12.887 10.227 -15.190 1.00 0.00 C ATOM 1147 O LEU A 75 13.259 9.108 -14.843 1.00 0.00 O ATOM 1148 CB LEU A 75 11.019 10.260 -16.875 1.00 0.00 C ATOM 1149 CG LEU A 75 11.238 8.827 -17.399 1.00 0.00 C ATOM 1150 CD1 LEU A 75 10.336 7.810 -16.690 1.00 0.00 C ATOM 1151 CD2 LEU A 75 10.944 8.821 -18.901 1.00 0.00 C ATOM 0 H LEU A 75 10.575 12.371 -15.820 1.00 0.00 H new ATOM 0 HA LEU A 75 10.857 9.820 -14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.968 10.518 -17.007 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.595 10.945 -17.496 1.00 0.00 H new ATOM 0 HG LEU A 75 12.269 8.534 -17.199 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.525 6.814 -17.091 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.550 7.817 -15.621 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.291 8.075 -16.853 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.092 7.816 -19.297 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.913 9.130 -19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.618 9.513 -19.406 1.00 0.00 H new ATOM 1163 N LYS A 76 13.744 11.232 -15.394 1.00 0.00 N ATOM 1164 CA LYS A 76 15.185 11.109 -15.179 1.00 0.00 C ATOM 1165 C LYS A 76 15.520 10.951 -13.693 1.00 0.00 C ATOM 1166 O LYS A 76 16.542 10.347 -13.369 1.00 0.00 O ATOM 1167 CB LYS A 76 15.911 12.333 -15.763 1.00 0.00 C ATOM 1168 CG LYS A 76 15.763 12.418 -17.294 1.00 0.00 C ATOM 1169 CD LYS A 76 16.544 13.589 -17.912 1.00 0.00 C ATOM 1170 CE LYS A 76 15.971 14.952 -17.496 1.00 0.00 C ATOM 1171 NZ LYS A 76 16.697 16.082 -18.130 1.00 0.00 N ATOM 0 H LYS A 76 13.455 12.156 -15.714 1.00 0.00 H new ATOM 0 HA LYS A 76 15.526 10.210 -15.692 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.513 13.241 -15.310 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.969 12.285 -15.503 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.108 11.484 -17.739 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.707 12.520 -17.546 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.589 13.528 -17.607 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.523 13.504 -18.999 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.917 15.000 -17.770 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.024 15.051 -16.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.277 16.982 -17.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.698 16.053 -17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.626 16.004 -19.165 1.00 0.00 H new ATOM 1185 N ASP A 77 14.696 11.497 -12.793 1.00 0.00 N ATOM 1186 CA ASP A 77 14.915 11.419 -11.352 1.00 0.00 C ATOM 1187 C ASP A 77 14.407 10.092 -10.791 1.00 0.00 C ATOM 1188 O ASP A 77 15.083 9.510 -9.940 1.00 0.00 O ATOM 1189 CB ASP A 77 14.226 12.581 -10.628 1.00 0.00 C ATOM 1190 CG ASP A 77 14.500 12.509 -9.116 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.626 12.852 -8.688 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.588 12.138 -8.346 1.00 0.00 O ATOM 0 H ASP A 77 13.852 12.009 -13.050 1.00 0.00 H new ATOM 0 HA ASP A 77 15.990 11.485 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.587 13.530 -11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.152 12.547 -10.811 1.00 0.00 H new ATOM 1197 N ILE A 78 13.258 9.584 -11.267 1.00 0.00 N ATOM 1198 CA ILE A 78 12.780 8.261 -10.868 1.00 0.00 C ATOM 1199 C ILE A 78 13.820 7.224 -11.329 1.00 0.00 C ATOM 1200 O ILE A 78 14.272 7.250 -12.478 1.00 0.00 O ATOM 1201 CB ILE A 78 11.345 7.988 -11.396 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.271 8.794 -10.626 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.961 6.504 -11.241 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.200 10.281 -10.971 1.00 0.00 C ATOM 0 H ILE A 78 12.650 10.071 -11.925 1.00 0.00 H new ATOM 0 HA ILE A 78 12.687 8.195 -9.784 1.00 0.00 H new ATOM 0 HB ILE A 78 11.366 8.286 -12.444 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.296 8.346 -10.819 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.462 8.694 -9.557 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.951 6.348 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.660 5.886 -11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.000 6.226 -10.188 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.417 10.755 -10.379 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.158 10.752 -10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.974 10.398 -12.031 1.00 0.00 H new ATOM 1216 N ALA A 79 14.165 6.289 -10.436 1.00 0.00 N ATOM 1217 CA ALA A 79 15.197 5.272 -10.648 1.00 0.00 C ATOM 1218 C ALA A 79 14.646 3.856 -10.429 1.00 0.00 C ATOM 1219 O ALA A 79 15.376 2.931 -10.066 1.00 0.00 O ATOM 1220 CB ALA A 79 16.416 5.593 -9.772 1.00 0.00 C ATOM 0 H ALA A 79 13.720 6.219 -9.521 1.00 0.00 H new ATOM 0 HA ALA A 79 15.524 5.295 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.186 4.837 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.810 6.573 -10.042 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.119 5.597 -8.723 1.00 0.00 H new ATOM 1226 N MET A 80 13.337 3.702 -10.634 1.00 0.00 N ATOM 1227 CA MET A 80 12.680 2.398 -10.726 1.00 0.00 C ATOM 1228 C MET A 80 13.181 1.700 -12.007 1.00 0.00 C ATOM 1229 O MET A 80 13.666 2.391 -12.909 1.00 0.00 O ATOM 1230 CB MET A 80 11.154 2.595 -10.770 1.00 0.00 C ATOM 1231 CG MET A 80 10.591 3.116 -9.440 1.00 0.00 C ATOM 1232 SD MET A 80 8.835 3.589 -9.469 1.00 0.00 S ATOM 1233 CE MET A 80 8.038 1.969 -9.650 1.00 0.00 C ATOM 0 H MET A 80 12.696 4.488 -10.742 1.00 0.00 H new ATOM 0 HA MET A 80 12.917 1.781 -9.859 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.904 3.296 -11.566 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.675 1.648 -11.017 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.730 2.347 -8.680 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.178 3.981 -9.130 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.956 2.097 -9.683 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.376 1.498 -10.573 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.303 1.337 -8.803 1.00 0.00 H new ATOM 1243 N PRO A 81 13.072 0.362 -12.130 1.00 0.00 N ATOM 1244 CA PRO A 81 13.375 -0.349 -13.371 1.00 0.00 C ATOM 1245 C PRO A 81 12.623 0.249 -14.565 1.00 0.00 C ATOM 1246 O PRO A 81 11.454 0.626 -14.430 1.00 0.00 O ATOM 1247 CB PRO A 81 12.959 -1.805 -13.127 1.00 0.00 C ATOM 1248 CG PRO A 81 13.054 -1.954 -11.610 1.00 0.00 C ATOM 1249 CD PRO A 81 12.645 -0.574 -11.100 1.00 0.00 C ATOM 0 HA PRO A 81 14.433 -0.270 -13.621 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.949 -1.999 -13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.620 -2.503 -13.641 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.389 -2.734 -11.239 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.063 -2.218 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.568 -0.518 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.121 -0.351 -10.145 1.00 0.00 H new ATOM 1257 N LYS A 82 13.254 0.291 -15.744 1.00 0.00 N ATOM 1258 CA LYS A 82 12.660 0.818 -16.968 1.00 0.00 C ATOM 1259 C LYS A 82 12.888 -0.162 -18.112 1.00 0.00 C ATOM 1260 O LYS A 82 13.854 -0.928 -18.092 1.00 0.00 O ATOM 1261 CB LYS A 82 13.285 2.175 -17.332 1.00 0.00 C ATOM 1262 CG LYS A 82 12.991 3.293 -16.322 1.00 0.00 C ATOM 1263 CD LYS A 82 13.800 4.544 -16.668 1.00 0.00 C ATOM 1264 CE LYS A 82 13.560 5.658 -15.643 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.457 6.809 -15.886 1.00 0.00 N ATOM 0 H LYS A 82 14.208 -0.047 -15.872 1.00 0.00 H new ATOM 0 HA LYS A 82 11.591 0.953 -16.803 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.365 2.054 -17.419 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.919 2.480 -18.312 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.926 3.527 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.239 2.958 -15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.861 4.297 -16.700 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.525 4.895 -17.662 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.522 5.985 -15.694 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.724 5.272 -14.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.042 7.667 -15.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.383 6.626 -15.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.578 6.945 -16.910 1.00 0.00 H new ATOM 1279 N VAL A 83 12.027 -0.098 -19.122 1.00 0.00 N ATOM 1280 CA VAL A 83 12.046 -0.917 -20.318 1.00 0.00 C ATOM 1281 C VAL A 83 11.616 -0.039 -21.502 1.00 0.00 C ATOM 1282 O VAL A 83 11.006 1.016 -21.305 1.00 0.00 O ATOM 1283 CB VAL A 83 11.095 -2.117 -20.119 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.735 -3.227 -19.272 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.738 -1.749 -19.495 1.00 0.00 C ATOM 0 H VAL A 83 11.254 0.567 -19.123 1.00 0.00 H new ATOM 0 HA VAL A 83 13.042 -1.311 -20.518 1.00 0.00 H new ATOM 0 HB VAL A 83 10.911 -2.476 -21.132 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.030 -4.050 -19.158 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.637 -3.587 -19.766 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.993 -2.832 -18.289 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.130 -2.648 -19.389 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.898 -1.302 -18.514 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.223 -1.036 -20.139 1.00 0.00 H new ATOM 1295 N LYS A 84 11.936 -0.451 -22.734 1.00 0.00 N ATOM 1296 CA LYS A 84 11.392 0.189 -23.934 1.00 0.00 C ATOM 1297 C LYS A 84 9.923 -0.211 -24.088 1.00 0.00 C ATOM 1298 O LYS A 84 9.545 -1.329 -23.717 1.00 0.00 O ATOM 1299 CB LYS A 84 12.176 -0.241 -25.187 1.00 0.00 C ATOM 1300 CG LYS A 84 13.631 0.255 -25.180 1.00 0.00 C ATOM 1301 CD LYS A 84 14.397 -0.096 -26.464 1.00 0.00 C ATOM 1302 CE LYS A 84 14.592 -1.611 -26.631 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.384 -1.944 -27.841 1.00 0.00 N ATOM 0 H LYS A 84 12.570 -1.227 -22.925 1.00 0.00 H new ATOM 0 HA LYS A 84 11.480 1.270 -23.829 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.168 -1.329 -25.259 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.671 0.141 -26.074 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.639 1.337 -25.045 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.151 -0.177 -24.325 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.856 0.296 -27.326 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.371 0.394 -26.449 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.093 -2.010 -25.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.618 -2.097 -26.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.490 -2.976 -27.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.894 -1.586 -28.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.324 -1.503 -27.773 1.00 0.00 H new ATOM 1317 N GLY A 85 9.119 0.671 -24.681 1.00 0.00 N ATOM 1318 CA GLY A 85 7.735 0.393 -25.043 1.00 0.00 C ATOM 1319 C GLY A 85 7.647 -0.043 -26.500 1.00 0.00 C ATOM 1320 O GLY A 85 6.693 0.381 -27.184 1.00 0.00 O ATOM 1321 OXT GLY A 85 8.526 -0.803 -26.961 1.00 0.00 O ATOM 0 H GLY A 85 9.419 1.614 -24.926 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.333 -0.388 -24.398 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.125 1.282 -24.885 1.00 0.00 H new TER 1325 GLY A 85