USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 1.34 (180deg=-0.276) USER MOD Single : A 2 SER OG : rot 140:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 10 THR OG1 : rot 6:sc= 1.82 USER MOD Single : A 12 ASN : amide:sc= -0.561 K(o=-0.56,f=-4.4!) USER MOD Single : A 16 THR OG1 : rot -18:sc= -3.54! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.147) USER MOD Single : A 28 ASN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.251 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.6!) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= -0.176 (180deg=-1.03) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.322) USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -5.36! C(o=-5.4!,f=-6.4!) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= -0.429 (180deg=-1.13) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.098 -9.791 29.233 1.00 27.72 N ATOM 2 CA MET A 1 22.201 -10.785 29.114 1.00 27.87 C ATOM 3 C MET A 1 23.454 -10.096 28.570 1.00 27.08 C ATOM 4 O MET A 1 23.390 -9.325 27.631 1.00 26.27 O ATOM 5 CB MET A 1 21.779 -11.902 28.156 1.00 27.97 C ATOM 6 CG MET A 1 20.525 -12.593 28.696 1.00 28.59 C ATOM 7 SD MET A 1 19.053 -11.734 28.087 1.00 28.09 S ATOM 8 CE MET A 1 17.940 -12.203 29.434 1.00 29.08 C ATOM 0 H1 MET A 1 20.813 -9.706 30.230 1.00 27.72 H new ATOM 0 H2 MET A 1 21.425 -8.866 28.887 1.00 27.72 H new ATOM 0 H3 MET A 1 20.285 -10.105 28.666 1.00 27.72 H new ATOM 0 HA MET A 1 22.416 -11.207 30.096 1.00 27.87 H new ATOM 0 HB2 MET A 1 21.582 -11.491 27.166 1.00 27.97 H new ATOM 0 HB3 MET A 1 22.587 -12.626 28.046 1.00 27.97 H new ATOM 0 HG2 MET A 1 20.507 -13.636 28.380 1.00 28.59 H new ATOM 0 HG3 MET A 1 20.536 -12.590 29.786 1.00 28.59 H new ATOM 0 HE1 MET A 1 16.954 -11.772 29.259 1.00 29.08 H new ATOM 0 HE2 MET A 1 17.858 -13.289 29.477 1.00 29.08 H new ATOM 0 HE3 MET A 1 18.336 -11.831 30.379 1.00 29.08 H new ATOM 20 N SER A 2 24.593 -10.368 29.157 1.00 27.51 N ATOM 21 CA SER A 2 25.864 -9.734 28.685 1.00 27.04 C ATOM 22 C SER A 2 25.758 -8.212 28.810 1.00 26.17 C ATOM 23 O SER A 2 24.790 -7.690 29.330 1.00 26.16 O ATOM 24 CB SER A 2 26.117 -10.110 27.224 1.00 26.67 C ATOM 25 OG SER A 2 27.517 -10.131 26.979 1.00 27.25 O ATOM 0 H SER A 2 24.698 -11.005 29.947 1.00 27.51 H new ATOM 0 HA SER A 2 26.691 -10.091 29.298 1.00 27.04 H new ATOM 0 HB2 SER A 2 25.684 -11.087 27.008 1.00 26.67 H new ATOM 0 HB3 SER A 2 25.631 -9.392 26.563 1.00 26.67 H new ATOM 0 HG SER A 2 27.737 -10.892 26.401 1.00 27.25 H new ATOM 31 N LYS A 3 26.750 -7.500 28.337 1.00 25.65 N ATOM 32 CA LYS A 3 26.718 -6.010 28.424 1.00 25.00 C ATOM 33 C LYS A 3 26.677 -5.418 27.014 1.00 23.58 C ATOM 34 O LYS A 3 27.248 -4.376 26.754 1.00 23.37 O ATOM 35 CB LYS A 3 27.972 -5.515 29.148 1.00 25.89 C ATOM 36 CG LYS A 3 29.217 -6.082 28.464 1.00 26.45 C ATOM 37 CD LYS A 3 30.468 -5.443 29.067 1.00 27.52 C ATOM 38 CE LYS A 3 30.781 -6.103 30.411 1.00 28.77 C ATOM 39 NZ LYS A 3 32.258 -6.148 30.610 1.00 29.81 N ATOM 0 H LYS A 3 27.582 -7.889 27.893 1.00 25.65 H new ATOM 0 HA LYS A 3 25.832 -5.697 28.976 1.00 25.00 H new ATOM 0 HB2 LYS A 3 28.004 -4.426 29.138 1.00 25.89 H new ATOM 0 HB3 LYS A 3 27.946 -5.824 30.193 1.00 25.89 H new ATOM 0 HG2 LYS A 3 29.252 -7.164 28.589 1.00 26.45 H new ATOM 0 HG3 LYS A 3 29.177 -5.886 27.392 1.00 26.45 H new ATOM 0 HD2 LYS A 3 31.312 -5.559 28.387 1.00 27.52 H new ATOM 0 HD3 LYS A 3 30.313 -4.373 29.203 1.00 27.52 H new ATOM 0 HE2 LYS A 3 30.311 -5.545 31.221 1.00 28.77 H new ATOM 0 HE3 LYS A 3 30.369 -7.112 30.438 1.00 28.77 H new ATOM 0 HZ1 LYS A 3 32.472 -6.597 31.524 1.00 29.81 H new ATOM 0 HZ2 LYS A 3 32.695 -6.698 29.843 1.00 29.81 H new ATOM 0 HZ3 LYS A 3 32.639 -5.180 30.602 1.00 29.81 H new ATOM 53 N ARG A 4 26.004 -6.077 26.105 1.00 22.79 N ATOM 54 CA ARG A 4 25.920 -5.559 24.707 1.00 21.54 C ATOM 55 C ARG A 4 24.997 -6.461 23.884 1.00 20.64 C ATOM 56 O ARG A 4 24.493 -7.456 24.370 1.00 20.98 O ATOM 57 CB ARG A 4 27.316 -5.551 24.079 1.00 21.86 C ATOM 58 CG ARG A 4 27.951 -6.938 24.219 1.00 23.01 C ATOM 59 CD ARG A 4 29.433 -6.871 23.836 1.00 23.66 C ATOM 60 NE ARG A 4 29.792 -8.051 22.976 1.00 24.08 N ATOM 61 CZ ARG A 4 29.543 -9.292 23.343 1.00 24.69 C ATOM 62 NH1 ARG A 4 29.156 -9.582 24.562 1.00 25.06 N ATOM 63 NH2 ARG A 4 29.746 -10.261 22.492 1.00 25.16 N ATOM 0 H ARG A 4 25.508 -6.953 26.272 1.00 22.79 H new ATOM 0 HA ARG A 4 25.522 -4.544 24.720 1.00 21.54 H new ATOM 0 HB2 ARG A 4 27.251 -5.274 23.027 1.00 21.86 H new ATOM 0 HB3 ARG A 4 27.941 -4.803 24.567 1.00 21.86 H new ATOM 0 HG2 ARG A 4 27.847 -7.294 25.244 1.00 23.01 H new ATOM 0 HG3 ARG A 4 27.432 -7.652 23.579 1.00 23.01 H new ATOM 0 HD2 ARG A 4 29.638 -5.944 23.301 1.00 23.66 H new ATOM 0 HD3 ARG A 4 30.050 -6.863 24.735 1.00 23.66 H new ATOM 0 HE ARG A 4 30.244 -7.885 22.077 1.00 24.08 H new ATOM 0 HH11 ARG A 4 29.041 -8.839 25.251 1.00 25.06 H new ATOM 0 HH12 ARG A 4 28.970 -10.551 24.821 1.00 25.06 H new ATOM 0 HH21 ARG A 4 30.093 -10.053 21.556 1.00 25.16 H new ATOM 0 HH22 ARG A 4 29.557 -11.226 22.763 1.00 25.16 H new ATOM 77 N LYS A 5 24.774 -6.118 22.639 1.00 19.69 N ATOM 78 CA LYS A 5 23.883 -6.946 21.768 1.00 18.97 C ATOM 79 C LYS A 5 22.479 -7.008 22.376 1.00 18.14 C ATOM 80 O LYS A 5 21.821 -8.030 22.340 1.00 18.51 O ATOM 81 CB LYS A 5 24.452 -8.363 21.649 1.00 19.92 C ATOM 82 CG LYS A 5 23.686 -9.132 20.571 1.00 20.03 C ATOM 83 CD LYS A 5 24.636 -10.095 19.857 1.00 21.15 C ATOM 84 CE LYS A 5 24.178 -10.286 18.410 1.00 21.07 C ATOM 85 NZ LYS A 5 24.505 -11.669 17.964 1.00 22.15 N ATOM 0 H LYS A 5 25.173 -5.296 22.186 1.00 19.69 H new ATOM 0 HA LYS A 5 23.828 -6.493 20.778 1.00 18.97 H new ATOM 0 HB2 LYS A 5 25.512 -8.321 21.397 1.00 19.92 H new ATOM 0 HB3 LYS A 5 24.372 -8.880 22.605 1.00 19.92 H new ATOM 0 HG2 LYS A 5 22.861 -9.685 21.021 1.00 20.03 H new ATOM 0 HG3 LYS A 5 23.250 -8.436 19.854 1.00 20.03 H new ATOM 0 HD2 LYS A 5 25.653 -9.702 19.879 1.00 21.15 H new ATOM 0 HD3 LYS A 5 24.654 -11.055 20.374 1.00 21.15 H new ATOM 0 HE2 LYS A 5 23.105 -10.111 18.331 1.00 21.07 H new ATOM 0 HE3 LYS A 5 24.668 -9.558 17.763 1.00 21.07 H new ATOM 0 HZ1 LYS A 5 24.194 -11.799 16.980 1.00 22.15 H new ATOM 0 HZ2 LYS A 5 25.532 -11.820 18.025 1.00 22.15 H new ATOM 0 HZ3 LYS A 5 24.018 -12.355 18.575 1.00 22.15 H new ATOM 99 N ALA A 6 22.018 -5.916 22.934 1.00 17.26 N ATOM 100 CA ALA A 6 20.657 -5.898 23.545 1.00 16.66 C ATOM 101 C ALA A 6 19.598 -5.740 22.440 1.00 15.43 C ATOM 102 O ALA A 6 19.912 -5.261 21.368 1.00 14.81 O ATOM 103 CB ALA A 6 20.554 -4.724 24.521 1.00 16.46 C ATOM 0 H ALA A 6 22.529 -5.035 22.992 1.00 17.26 H new ATOM 0 HA ALA A 6 20.486 -6.833 24.079 1.00 16.66 H new ATOM 0 HB1 ALA A 6 19.560 -4.709 24.969 1.00 16.46 H new ATOM 0 HB2 ALA A 6 21.303 -4.836 25.305 1.00 16.46 H new ATOM 0 HB3 ALA A 6 20.725 -3.790 23.986 1.00 16.46 H new ATOM 109 N PRO A 7 18.369 -6.142 22.718 1.00 15.32 N ATOM 110 CA PRO A 7 17.281 -6.035 21.728 1.00 14.41 C ATOM 111 C PRO A 7 17.067 -4.569 21.336 1.00 13.07 C ATOM 112 O PRO A 7 16.704 -3.746 22.154 1.00 13.13 O ATOM 113 CB PRO A 7 16.038 -6.596 22.437 1.00 14.96 C ATOM 114 CG PRO A 7 16.464 -7.031 23.862 1.00 16.19 C ATOM 115 CD PRO A 7 17.962 -6.730 24.017 1.00 16.38 C ATOM 0 HA PRO A 7 17.502 -6.579 20.809 1.00 14.41 H new ATOM 0 HB2 PRO A 7 15.253 -5.842 22.486 1.00 14.96 H new ATOM 0 HB3 PRO A 7 15.632 -7.443 21.884 1.00 14.96 H new ATOM 0 HG2 PRO A 7 15.887 -6.493 24.614 1.00 16.19 H new ATOM 0 HG3 PRO A 7 16.270 -8.093 24.011 1.00 16.19 H new ATOM 0 HD2 PRO A 7 18.143 -6.037 24.838 1.00 16.38 H new ATOM 0 HD3 PRO A 7 18.527 -7.637 24.235 1.00 16.38 H new ATOM 123 N GLN A 8 17.292 -4.242 20.089 1.00 12.18 N ATOM 124 CA GLN A 8 17.107 -2.833 19.632 1.00 11.13 C ATOM 125 C GLN A 8 15.646 -2.613 19.236 1.00 10.25 C ATOM 126 O GLN A 8 14.917 -3.552 18.975 1.00 10.49 O ATOM 127 CB GLN A 8 18.008 -2.564 18.425 1.00 10.97 C ATOM 128 CG GLN A 8 19.472 -2.749 18.830 1.00 11.63 C ATOM 129 CD GLN A 8 20.349 -1.786 18.026 1.00 11.84 C ATOM 130 OE1 GLN A 8 20.203 -1.672 16.825 1.00 11.66 O ATOM 131 NE2 GLN A 8 21.260 -1.084 18.642 1.00 12.59 N ATOM 0 H GLN A 8 17.597 -4.893 19.366 1.00 12.18 H new ATOM 0 HA GLN A 8 17.371 -2.152 20.441 1.00 11.13 H new ATOM 0 HB2 GLN A 8 17.756 -3.244 17.611 1.00 10.97 H new ATOM 0 HB3 GLN A 8 17.847 -1.551 18.056 1.00 10.97 H new ATOM 0 HG2 GLN A 8 19.592 -2.562 19.897 1.00 11.63 H new ATOM 0 HG3 GLN A 8 19.783 -3.778 18.650 1.00 11.63 H new ATOM 0 HE21 GLN A 8 21.382 -1.180 19.650 1.00 12.59 H new ATOM 0 HE22 GLN A 8 21.850 -0.439 18.116 1.00 12.59 H new ATOM 140 N GLU A 9 15.216 -1.377 19.186 1.00 9.61 N ATOM 141 CA GLU A 9 13.803 -1.084 18.806 1.00 9.06 C ATOM 142 C GLU A 9 13.594 -1.422 17.329 1.00 7.87 C ATOM 143 O GLU A 9 12.671 -2.124 16.971 1.00 8.08 O ATOM 144 CB GLU A 9 13.509 0.400 19.037 1.00 9.42 C ATOM 145 CG GLU A 9 12.016 0.589 19.310 1.00 10.24 C ATOM 146 CD GLU A 9 11.818 1.750 20.285 1.00 11.28 C ATOM 147 OE1 GLU A 9 12.038 2.880 19.881 1.00 11.49 O ATOM 148 OE2 GLU A 9 11.449 1.490 21.419 1.00 12.17 O ATOM 0 H GLU A 9 15.786 -0.557 19.393 1.00 9.61 H new ATOM 0 HA GLU A 9 13.130 -1.686 19.416 1.00 9.06 H new ATOM 0 HB2 GLU A 9 14.093 0.770 19.880 1.00 9.42 H new ATOM 0 HB3 GLU A 9 13.806 0.981 18.164 1.00 9.42 H new ATOM 0 HG2 GLU A 9 11.488 0.789 18.378 1.00 10.24 H new ATOM 0 HG3 GLU A 9 11.593 -0.325 19.726 1.00 10.24 H new ATOM 155 N THR A 10 14.452 -0.921 16.470 1.00 7.13 N ATOM 156 CA THR A 10 14.332 -1.196 14.999 1.00 6.40 C ATOM 157 C THR A 10 12.910 -0.895 14.505 1.00 5.34 C ATOM 158 O THR A 10 12.016 -1.712 14.621 1.00 5.62 O ATOM 159 CB THR A 10 14.677 -2.664 14.707 1.00 7.47 C ATOM 160 OG1 THR A 10 13.641 -3.507 15.189 1.00 7.90 O ATOM 161 CG2 THR A 10 15.997 -3.032 15.389 1.00 8.66 C ATOM 0 H THR A 10 15.240 -0.326 16.728 1.00 7.13 H new ATOM 0 HA THR A 10 15.032 -0.547 14.472 1.00 6.40 H new ATOM 0 HB THR A 10 14.778 -2.798 13.630 1.00 7.47 H new ATOM 0 HG1 THR A 10 12.899 -2.958 15.519 1.00 7.90 H new ATOM 0 HG21 THR A 10 16.237 -4.074 15.179 1.00 8.66 H new ATOM 0 HG22 THR A 10 16.794 -2.392 15.009 1.00 8.66 H new ATOM 0 HG23 THR A 10 15.902 -2.892 16.466 1.00 8.66 H new ATOM 169 N LEU A 11 12.702 0.272 13.947 1.00 4.87 N ATOM 170 CA LEU A 11 11.346 0.637 13.437 1.00 4.46 C ATOM 171 C LEU A 11 10.932 -0.347 12.338 1.00 3.45 C ATOM 172 O LEU A 11 11.693 -1.216 11.958 1.00 3.78 O ATOM 173 CB LEU A 11 11.383 2.056 12.862 1.00 5.38 C ATOM 174 CG LEU A 11 11.316 3.072 14.004 1.00 6.87 C ATOM 175 CD1 LEU A 11 12.660 3.113 14.733 1.00 7.75 C ATOM 176 CD2 LEU A 11 11.003 4.458 13.434 1.00 7.95 C ATOM 0 H LEU A 11 13.416 0.989 13.823 1.00 4.87 H new ATOM 0 HA LEU A 11 10.626 0.594 14.254 1.00 4.46 H new ATOM 0 HB2 LEU A 11 12.296 2.202 12.284 1.00 5.38 H new ATOM 0 HB3 LEU A 11 10.547 2.205 12.179 1.00 5.38 H new ATOM 0 HG LEU A 11 10.533 2.780 14.704 1.00 6.87 H new ATOM 0 HD11 LEU A 11 12.611 3.837 15.546 1.00 7.75 H new ATOM 0 HD12 LEU A 11 12.884 2.126 15.139 1.00 7.75 H new ATOM 0 HD13 LEU A 11 13.444 3.405 14.034 1.00 7.75 H new ATOM 0 HD21 LEU A 11 10.955 5.183 14.246 1.00 7.95 H new ATOM 0 HD22 LEU A 11 11.786 4.749 12.734 1.00 7.95 H new ATOM 0 HD23 LEU A 11 10.045 4.430 12.915 1.00 7.95 H new ATOM 188 N ASN A 12 9.733 -0.214 11.829 1.00 3.12 N ATOM 189 CA ASN A 12 9.266 -1.141 10.756 1.00 2.80 C ATOM 190 C ASN A 12 9.636 -0.557 9.384 1.00 1.95 C ATOM 191 O ASN A 12 10.635 -0.928 8.799 1.00 2.03 O ATOM 192 CB ASN A 12 7.746 -1.335 10.876 1.00 3.92 C ATOM 193 CG ASN A 12 7.252 -2.285 9.782 1.00 5.32 C ATOM 194 OD1 ASN A 12 7.255 -1.942 8.616 1.00 5.92 O ATOM 195 ND2 ASN A 12 6.823 -3.473 10.111 1.00 6.71 N ATOM 0 H ASN A 12 9.058 0.497 12.111 1.00 3.12 H new ATOM 0 HA ASN A 12 9.749 -2.112 10.863 1.00 2.80 H new ATOM 0 HB2 ASN A 12 7.499 -1.738 11.858 1.00 3.92 H new ATOM 0 HB3 ASN A 12 7.240 -0.373 10.790 1.00 3.92 H new ATOM 0 HD21 ASN A 12 6.491 -4.113 9.390 1.00 6.71 H new ATOM 0 HD22 ASN A 12 6.820 -3.761 11.089 1.00 6.71 H new ATOM 202 N GLY A 13 8.844 0.354 8.867 1.00 1.58 N ATOM 203 CA GLY A 13 9.155 0.962 7.536 1.00 1.56 C ATOM 204 C GLY A 13 9.235 -0.133 6.468 1.00 1.53 C ATOM 205 O GLY A 13 10.237 -0.812 6.341 1.00 2.51 O ATOM 0 H GLY A 13 7.995 0.702 9.312 1.00 1.58 H new ATOM 0 HA2 GLY A 13 8.386 1.687 7.269 1.00 1.56 H new ATOM 0 HA3 GLY A 13 10.100 1.503 7.586 1.00 1.56 H new ATOM 209 N GLY A 14 8.188 -0.306 5.702 1.00 1.29 N ATOM 210 CA GLY A 14 8.198 -1.356 4.640 1.00 1.20 C ATOM 211 C GLY A 14 6.810 -1.463 4.006 1.00 0.98 C ATOM 212 O GLY A 14 6.297 -2.547 3.800 1.00 1.10 O ATOM 0 H GLY A 14 7.326 0.235 5.767 1.00 1.29 H new ATOM 0 HA2 GLY A 14 8.938 -1.109 3.879 1.00 1.20 H new ATOM 0 HA3 GLY A 14 8.488 -2.316 5.067 1.00 1.20 H new ATOM 216 N ILE A 15 6.202 -0.346 3.693 1.00 0.80 N ATOM 217 CA ILE A 15 4.847 -0.377 3.068 1.00 0.70 C ATOM 218 C ILE A 15 4.978 -0.460 1.557 1.00 0.62 C ATOM 219 O ILE A 15 4.525 -1.397 0.929 1.00 0.74 O ATOM 220 CB ILE A 15 4.088 0.904 3.386 1.00 0.67 C ATOM 221 CG1 ILE A 15 4.113 1.166 4.894 1.00 0.80 C ATOM 222 CG2 ILE A 15 2.644 0.751 2.908 1.00 0.84 C ATOM 223 CD1 ILE A 15 3.264 2.397 5.206 1.00 1.22 C ATOM 0 H ILE A 15 6.587 0.586 3.844 1.00 0.80 H new ATOM 0 HA ILE A 15 4.315 -1.243 3.462 1.00 0.70 H new ATOM 0 HB ILE A 15 4.558 1.747 2.879 1.00 0.67 H new ATOM 0 HG12 ILE A 15 3.729 0.299 5.432 1.00 0.80 H new ATOM 0 HG13 ILE A 15 5.138 1.322 5.231 1.00 0.80 H new ATOM 0 HG21 ILE A 15 2.089 1.662 3.130 1.00 0.84 H new ATOM 0 HG22 ILE A 15 2.634 0.572 1.833 1.00 0.84 H new ATOM 0 HG23 ILE A 15 2.179 -0.091 3.420 1.00 0.84 H new ATOM 0 HD11 ILE A 15 3.279 2.587 6.279 1.00 1.22 H new ATOM 0 HD12 ILE A 15 3.668 3.261 4.679 1.00 1.22 H new ATOM 0 HD13 ILE A 15 2.238 2.223 4.883 1.00 1.22 H new ATOM 235 N THR A 16 5.563 0.547 0.976 1.00 0.53 N ATOM 236 CA THR A 16 5.702 0.588 -0.497 1.00 0.55 C ATOM 237 C THR A 16 6.559 -0.583 -1.004 1.00 0.50 C ATOM 238 O THR A 16 6.577 -0.867 -2.184 1.00 0.52 O ATOM 239 CB THR A 16 6.339 1.913 -0.917 1.00 0.65 C ATOM 240 OG1 THR A 16 6.693 1.849 -2.291 1.00 0.73 O ATOM 241 CG2 THR A 16 7.588 2.183 -0.079 1.00 0.70 C ATOM 0 H THR A 16 5.954 1.351 1.468 1.00 0.53 H new ATOM 0 HA THR A 16 4.709 0.501 -0.938 1.00 0.55 H new ATOM 0 HB THR A 16 5.625 2.721 -0.758 1.00 0.65 H new ATOM 0 HG1 THR A 16 6.722 0.912 -2.578 1.00 0.73 H new ATOM 0 HG21 THR A 16 8.034 3.129 -0.386 1.00 0.70 H new ATOM 0 HG22 THR A 16 7.315 2.236 0.975 1.00 0.70 H new ATOM 0 HG23 THR A 16 8.307 1.377 -0.228 1.00 0.70 H new ATOM 249 N ASP A 17 7.271 -1.259 -0.132 1.00 0.54 N ATOM 250 CA ASP A 17 8.118 -2.402 -0.585 1.00 0.60 C ATOM 251 C ASP A 17 7.230 -3.621 -0.862 1.00 0.60 C ATOM 252 O ASP A 17 7.401 -4.310 -1.851 1.00 0.80 O ATOM 253 CB ASP A 17 9.131 -2.749 0.509 1.00 0.72 C ATOM 254 CG ASP A 17 10.411 -1.939 0.294 1.00 1.48 C ATOM 255 OD1 ASP A 17 11.157 -2.277 -0.609 1.00 2.10 O ATOM 256 OD2 ASP A 17 10.623 -0.994 1.037 1.00 2.76 O ATOM 0 H ASP A 17 7.300 -1.067 0.869 1.00 0.54 H new ATOM 0 HA ASP A 17 8.646 -2.123 -1.497 1.00 0.60 H new ATOM 0 HB2 ASP A 17 8.711 -2.531 1.491 1.00 0.72 H new ATOM 0 HB3 ASP A 17 9.355 -3.816 0.487 1.00 0.72 H new ATOM 261 N MET A 18 6.288 -3.890 0.006 1.00 0.58 N ATOM 262 CA MET A 18 5.387 -5.066 -0.195 1.00 0.66 C ATOM 263 C MET A 18 4.233 -4.702 -1.140 1.00 0.65 C ATOM 264 O MET A 18 3.608 -5.570 -1.722 1.00 0.75 O ATOM 265 CB MET A 18 4.817 -5.503 1.157 1.00 0.79 C ATOM 266 CG MET A 18 5.813 -6.432 1.853 1.00 1.27 C ATOM 267 SD MET A 18 5.003 -7.245 3.254 1.00 1.84 S ATOM 268 CE MET A 18 5.954 -8.784 3.204 1.00 2.13 C ATOM 0 H MET A 18 6.103 -3.344 0.848 1.00 0.58 H new ATOM 0 HA MET A 18 5.961 -5.880 -0.638 1.00 0.66 H new ATOM 0 HB2 MET A 18 4.620 -4.631 1.780 1.00 0.79 H new ATOM 0 HB3 MET A 18 3.865 -6.014 1.014 1.00 0.79 H new ATOM 0 HG2 MET A 18 6.183 -7.178 1.150 1.00 1.27 H new ATOM 0 HG3 MET A 18 6.677 -5.864 2.198 1.00 1.27 H new ATOM 0 HE1 MET A 18 5.614 -9.448 3.999 1.00 2.13 H new ATOM 0 HE2 MET A 18 5.810 -9.270 2.239 1.00 2.13 H new ATOM 0 HE3 MET A 18 7.012 -8.563 3.344 1.00 2.13 H new ATOM 278 N LEU A 19 3.952 -3.432 -1.311 1.00 0.57 N ATOM 279 CA LEU A 19 2.850 -3.023 -2.228 1.00 0.59 C ATOM 280 C LEU A 19 3.396 -3.044 -3.650 1.00 0.53 C ATOM 281 O LEU A 19 2.743 -3.477 -4.582 1.00 0.62 O ATOM 282 CB LEU A 19 2.385 -1.610 -1.869 1.00 0.59 C ATOM 283 CG LEU A 19 1.100 -1.687 -1.039 1.00 0.80 C ATOM 284 CD1 LEU A 19 0.762 -0.300 -0.493 1.00 1.47 C ATOM 285 CD2 LEU A 19 -0.047 -2.180 -1.923 1.00 1.87 C ATOM 0 H LEU A 19 4.441 -2.663 -0.853 1.00 0.57 H new ATOM 0 HA LEU A 19 2.002 -3.702 -2.138 1.00 0.59 H new ATOM 0 HB2 LEU A 19 3.162 -1.092 -1.307 1.00 0.59 H new ATOM 0 HB3 LEU A 19 2.210 -1.032 -2.777 1.00 0.59 H new ATOM 0 HG LEU A 19 1.244 -2.379 -0.209 1.00 0.80 H new ATOM 0 HD11 LEU A 19 -0.152 -0.354 0.098 1.00 1.47 H new ATOM 0 HD12 LEU A 19 1.580 0.053 0.136 1.00 1.47 H new ATOM 0 HD13 LEU A 19 0.617 0.392 -1.322 1.00 1.47 H new ATOM 0 HD21 LEU A 19 -0.962 -2.235 -1.334 1.00 1.87 H new ATOM 0 HD22 LEU A 19 -0.191 -1.488 -2.752 1.00 1.87 H new ATOM 0 HD23 LEU A 19 0.194 -3.169 -2.313 1.00 1.87 H new ATOM 297 N VAL A 20 4.612 -2.595 -3.806 1.00 0.47 N ATOM 298 CA VAL A 20 5.251 -2.595 -5.145 1.00 0.54 C ATOM 299 C VAL A 20 5.499 -4.051 -5.557 1.00 0.62 C ATOM 300 O VAL A 20 5.490 -4.371 -6.727 1.00 0.67 O ATOM 301 CB VAL A 20 6.568 -1.808 -5.071 1.00 0.56 C ATOM 302 CG1 VAL A 20 7.357 -1.954 -6.374 1.00 0.73 C ATOM 303 CG2 VAL A 20 6.253 -0.328 -4.847 1.00 0.56 C ATOM 0 H VAL A 20 5.192 -2.225 -3.053 1.00 0.47 H new ATOM 0 HA VAL A 20 4.610 -2.119 -5.887 1.00 0.54 H new ATOM 0 HB VAL A 20 7.166 -2.201 -4.249 1.00 0.56 H new ATOM 0 HG11 VAL A 20 8.287 -1.389 -6.302 1.00 0.73 H new ATOM 0 HG12 VAL A 20 7.584 -3.006 -6.546 1.00 0.73 H new ATOM 0 HG13 VAL A 20 6.763 -1.571 -7.204 1.00 0.73 H new ATOM 0 HG21 VAL A 20 7.183 0.238 -4.793 1.00 0.56 H new ATOM 0 HG22 VAL A 20 5.649 0.045 -5.674 1.00 0.56 H new ATOM 0 HG23 VAL A 20 5.702 -0.210 -3.914 1.00 0.56 H new ATOM 313 N GLU A 21 5.696 -4.933 -4.603 1.00 0.71 N ATOM 314 CA GLU A 21 5.908 -6.371 -4.943 1.00 0.82 C ATOM 315 C GLU A 21 4.596 -6.909 -5.514 1.00 0.83 C ATOM 316 O GLU A 21 4.574 -7.706 -6.440 1.00 0.82 O ATOM 317 CB GLU A 21 6.282 -7.151 -3.680 1.00 0.92 C ATOM 318 CG GLU A 21 7.142 -8.358 -4.059 1.00 1.38 C ATOM 319 CD GLU A 21 6.254 -9.449 -4.660 1.00 2.68 C ATOM 320 OE1 GLU A 21 5.185 -9.680 -4.119 1.00 3.51 O ATOM 321 OE2 GLU A 21 6.658 -10.038 -5.649 1.00 3.87 O ATOM 0 H GLU A 21 5.718 -4.716 -3.607 1.00 0.71 H new ATOM 0 HA GLU A 21 6.715 -6.480 -5.668 1.00 0.82 H new ATOM 0 HB2 GLU A 21 6.826 -6.506 -2.990 1.00 0.92 H new ATOM 0 HB3 GLU A 21 5.381 -7.481 -3.164 1.00 0.92 H new ATOM 0 HG2 GLU A 21 7.908 -8.062 -4.776 1.00 1.38 H new ATOM 0 HG3 GLU A 21 7.660 -8.740 -3.179 1.00 1.38 H new ATOM 328 N LEU A 22 3.491 -6.442 -4.980 1.00 0.92 N ATOM 329 CA LEU A 22 2.151 -6.872 -5.485 1.00 0.99 C ATOM 330 C LEU A 22 2.094 -6.610 -6.995 1.00 0.99 C ATOM 331 O LEU A 22 1.684 -7.451 -7.772 1.00 1.03 O ATOM 332 CB LEU A 22 1.066 -6.038 -4.783 1.00 1.37 C ATOM 333 CG LEU A 22 -0.286 -6.776 -4.750 1.00 1.14 C ATOM 334 CD1 LEU A 22 -0.659 -7.300 -6.136 1.00 2.50 C ATOM 335 CD2 LEU A 22 -0.221 -7.943 -3.775 1.00 1.95 C ATOM 0 H LEU A 22 3.463 -5.775 -4.209 1.00 0.92 H new ATOM 0 HA LEU A 22 1.988 -7.931 -5.284 1.00 0.99 H new ATOM 0 HB2 LEU A 22 1.382 -5.812 -3.765 1.00 1.37 H new ATOM 0 HB3 LEU A 22 0.948 -5.085 -5.299 1.00 1.37 H new ATOM 0 HG LEU A 22 -1.047 -6.066 -4.426 1.00 1.14 H new ATOM 0 HD11 LEU A 22 -1.617 -7.817 -6.084 1.00 2.50 H new ATOM 0 HD12 LEU A 22 -0.734 -6.465 -6.833 1.00 2.50 H new ATOM 0 HD13 LEU A 22 0.108 -7.993 -6.482 1.00 2.50 H new ATOM 0 HD21 LEU A 22 -1.182 -8.458 -3.759 1.00 1.95 H new ATOM 0 HD22 LEU A 22 0.558 -8.637 -4.090 1.00 1.95 H new ATOM 0 HD23 LEU A 22 0.007 -7.571 -2.776 1.00 1.95 H new ATOM 347 N ALA A 23 2.525 -5.444 -7.404 1.00 1.02 N ATOM 348 CA ALA A 23 2.529 -5.104 -8.855 1.00 1.13 C ATOM 349 C ALA A 23 3.647 -5.888 -9.554 1.00 1.08 C ATOM 350 O ALA A 23 3.583 -6.158 -10.738 1.00 1.21 O ATOM 351 CB ALA A 23 2.782 -3.602 -9.016 1.00 1.27 C ATOM 0 H ALA A 23 2.876 -4.710 -6.789 1.00 1.02 H new ATOM 0 HA ALA A 23 1.569 -5.364 -9.300 1.00 1.13 H new ATOM 0 HB1 ALA A 23 2.786 -3.345 -10.075 1.00 1.27 H new ATOM 0 HB2 ALA A 23 1.994 -3.044 -8.511 1.00 1.27 H new ATOM 0 HB3 ALA A 23 3.746 -3.346 -8.577 1.00 1.27 H new ATOM 357 N ASN A 24 4.671 -6.255 -8.821 1.00 0.97 N ATOM 358 CA ASN A 24 5.802 -7.023 -9.416 1.00 1.02 C ATOM 359 C ASN A 24 5.298 -8.361 -9.965 1.00 1.13 C ATOM 360 O ASN A 24 5.955 -8.981 -10.777 1.00 1.29 O ATOM 361 CB ASN A 24 6.859 -7.283 -8.342 1.00 0.93 C ATOM 362 CG ASN A 24 8.222 -7.481 -9.006 1.00 1.57 C ATOM 363 OD1 ASN A 24 8.817 -8.535 -8.897 1.00 2.99 O ATOM 364 ND2 ASN A 24 8.748 -6.505 -9.695 1.00 2.19 N ATOM 0 H ASN A 24 4.769 -6.051 -7.826 1.00 0.97 H new ATOM 0 HA ASN A 24 6.237 -6.444 -10.231 1.00 1.02 H new ATOM 0 HB2 ASN A 24 6.900 -6.445 -7.646 1.00 0.93 H new ATOM 0 HB3 ASN A 24 6.593 -8.167 -7.762 1.00 0.93 H new ATOM 0 HD21 ASN A 24 9.657 -6.628 -10.141 1.00 2.19 H new ATOM 0 HD22 ASN A 24 8.250 -5.620 -9.787 1.00 2.19 H new ATOM 371 N PHE A 25 4.139 -8.813 -9.521 1.00 1.13 N ATOM 372 CA PHE A 25 3.568 -10.123 -10.006 1.00 1.37 C ATOM 373 C PHE A 25 3.747 -10.274 -11.531 1.00 1.59 C ATOM 374 O PHE A 25 4.246 -11.275 -12.008 1.00 1.98 O ATOM 375 CB PHE A 25 2.073 -10.171 -9.660 1.00 1.31 C ATOM 376 CG PHE A 25 1.868 -10.970 -8.393 1.00 1.42 C ATOM 377 CD1 PHE A 25 2.181 -10.406 -7.151 1.00 2.01 C ATOM 378 CD2 PHE A 25 1.365 -12.275 -8.463 1.00 2.51 C ATOM 379 CE1 PHE A 25 1.990 -11.146 -5.978 1.00 2.09 C ATOM 380 CE2 PHE A 25 1.174 -13.015 -7.290 1.00 2.71 C ATOM 381 CZ PHE A 25 1.486 -12.451 -6.048 1.00 1.83 C ATOM 0 H PHE A 25 3.560 -8.326 -8.837 1.00 1.13 H new ATOM 0 HA PHE A 25 4.098 -10.940 -9.517 1.00 1.37 H new ATOM 0 HB2 PHE A 25 1.687 -9.160 -9.530 1.00 1.31 H new ATOM 0 HB3 PHE A 25 1.514 -10.622 -10.480 1.00 1.31 H new ATOM 0 HD1 PHE A 25 2.570 -9.400 -7.097 1.00 2.01 H new ATOM 0 HD2 PHE A 25 1.124 -12.710 -9.422 1.00 2.51 H new ATOM 0 HE1 PHE A 25 2.231 -10.711 -5.019 1.00 2.09 H new ATOM 0 HE2 PHE A 25 0.786 -14.021 -7.344 1.00 2.71 H new ATOM 0 HZ PHE A 25 1.338 -13.022 -5.143 1.00 1.83 H new ATOM 391 N GLU A 26 3.361 -9.276 -12.289 1.00 1.47 N ATOM 392 CA GLU A 26 3.524 -9.334 -13.781 1.00 1.78 C ATOM 393 C GLU A 26 2.944 -10.637 -14.349 1.00 1.93 C ATOM 394 O GLU A 26 3.347 -11.094 -15.403 1.00 2.34 O ATOM 395 CB GLU A 26 5.012 -9.250 -14.128 1.00 2.11 C ATOM 396 CG GLU A 26 5.536 -7.853 -13.789 1.00 2.80 C ATOM 397 CD GLU A 26 5.335 -6.925 -14.988 1.00 3.69 C ATOM 398 OE1 GLU A 26 5.789 -7.275 -16.066 1.00 3.84 O ATOM 399 OE2 GLU A 26 4.731 -5.881 -14.809 1.00 5.08 O ATOM 0 H GLU A 26 2.937 -8.417 -11.938 1.00 1.47 H new ATOM 0 HA GLU A 26 2.984 -8.496 -14.221 1.00 1.78 H new ATOM 0 HB2 GLU A 26 5.569 -10.004 -13.572 1.00 2.11 H new ATOM 0 HB3 GLU A 26 5.162 -9.459 -15.187 1.00 2.11 H new ATOM 0 HG2 GLU A 26 5.012 -7.458 -12.919 1.00 2.80 H new ATOM 0 HG3 GLU A 26 6.593 -7.903 -13.528 1.00 2.80 H new ATOM 406 N LYS A 27 2.002 -11.230 -13.665 1.00 1.77 N ATOM 407 CA LYS A 27 1.388 -12.497 -14.164 1.00 2.00 C ATOM 408 C LYS A 27 -0.061 -12.566 -13.677 1.00 1.93 C ATOM 409 O LYS A 27 -0.986 -12.297 -14.420 1.00 2.08 O ATOM 410 CB LYS A 27 2.177 -13.698 -13.629 1.00 2.25 C ATOM 411 CG LYS A 27 3.154 -14.192 -14.701 1.00 3.12 C ATOM 412 CD LYS A 27 4.537 -13.584 -14.453 1.00 4.59 C ATOM 413 CE LYS A 27 5.277 -13.442 -15.785 1.00 6.00 C ATOM 414 NZ LYS A 27 5.477 -14.789 -16.389 1.00 6.26 N ATOM 0 H LYS A 27 1.629 -10.891 -12.778 1.00 1.77 H new ATOM 0 HA LYS A 27 1.411 -12.519 -15.254 1.00 2.00 H new ATOM 0 HB2 LYS A 27 2.722 -13.415 -12.729 1.00 2.25 H new ATOM 0 HB3 LYS A 27 1.493 -14.499 -13.349 1.00 2.25 H new ATOM 0 HG2 LYS A 27 3.214 -15.280 -14.679 1.00 3.12 H new ATOM 0 HG3 LYS A 27 2.795 -13.913 -15.692 1.00 3.12 H new ATOM 0 HD2 LYS A 27 4.437 -12.610 -13.974 1.00 4.59 H new ATOM 0 HD3 LYS A 27 5.108 -14.217 -13.773 1.00 4.59 H new ATOM 0 HE2 LYS A 27 4.707 -12.808 -16.464 1.00 6.00 H new ATOM 0 HE3 LYS A 27 6.240 -12.956 -15.628 1.00 6.00 H new ATOM 0 HZ1 LYS A 27 6.174 -14.725 -17.158 1.00 6.26 H new ATOM 0 HZ2 LYS A 27 5.823 -15.447 -15.662 1.00 6.26 H new ATOM 0 HZ3 LYS A 27 4.573 -15.137 -16.769 1.00 6.26 H new ATOM 428 N ASN A 28 -0.260 -12.906 -12.429 1.00 1.88 N ATOM 429 CA ASN A 28 -1.642 -12.975 -11.879 1.00 2.01 C ATOM 430 C ASN A 28 -2.199 -11.551 -11.745 1.00 1.83 C ATOM 431 O ASN A 28 -3.398 -11.343 -11.751 1.00 2.17 O ATOM 432 CB ASN A 28 -1.609 -13.649 -10.501 1.00 2.19 C ATOM 433 CG ASN A 28 -2.127 -15.085 -10.616 1.00 3.08 C ATOM 434 OD1 ASN A 28 -2.872 -15.543 -9.772 1.00 3.26 O ATOM 435 ND2 ASN A 28 -1.762 -15.820 -11.630 1.00 4.35 N ATOM 0 H ASN A 28 0.480 -13.139 -11.767 1.00 1.88 H new ATOM 0 HA ASN A 28 -2.278 -13.555 -12.547 1.00 2.01 H new ATOM 0 HB2 ASN A 28 -0.592 -13.649 -10.110 1.00 2.19 H new ATOM 0 HB3 ASN A 28 -2.221 -13.087 -9.796 1.00 2.19 H new ATOM 0 HD21 ASN A 28 -2.102 -16.778 -11.714 1.00 4.35 H new ATOM 0 HD22 ASN A 28 -1.137 -15.437 -12.339 1.00 4.35 H new ATOM 442 N VAL A 29 -1.333 -10.572 -11.620 1.00 1.52 N ATOM 443 CA VAL A 29 -1.801 -9.162 -11.480 1.00 1.50 C ATOM 444 C VAL A 29 -1.151 -8.302 -12.571 1.00 1.92 C ATOM 445 O VAL A 29 -0.822 -7.151 -12.354 1.00 2.64 O ATOM 446 CB VAL A 29 -1.403 -8.631 -10.099 1.00 1.04 C ATOM 447 CG1 VAL A 29 -2.077 -7.277 -9.852 1.00 1.18 C ATOM 448 CG2 VAL A 29 -1.851 -9.621 -9.017 1.00 1.18 C ATOM 0 H VAL A 29 -0.320 -10.693 -11.609 1.00 1.52 H new ATOM 0 HA VAL A 29 -2.885 -9.121 -11.585 1.00 1.50 H new ATOM 0 HB VAL A 29 -0.320 -8.512 -10.061 1.00 1.04 H new ATOM 0 HG11 VAL A 29 -1.792 -6.902 -8.869 1.00 1.18 H new ATOM 0 HG12 VAL A 29 -1.760 -6.568 -10.617 1.00 1.18 H new ATOM 0 HG13 VAL A 29 -3.160 -7.396 -9.895 1.00 1.18 H new ATOM 0 HG21 VAL A 29 -1.567 -9.241 -8.036 1.00 1.18 H new ATOM 0 HG22 VAL A 29 -2.933 -9.741 -9.060 1.00 1.18 H new ATOM 0 HG23 VAL A 29 -1.372 -10.585 -9.185 1.00 1.18 H new ATOM 458 N SER A 30 -0.961 -8.856 -13.742 1.00 2.14 N ATOM 459 CA SER A 30 -0.333 -8.082 -14.855 1.00 2.66 C ATOM 460 C SER A 30 -1.425 -7.380 -15.671 1.00 3.04 C ATOM 461 O SER A 30 -2.555 -7.263 -15.237 1.00 3.53 O ATOM 462 CB SER A 30 0.450 -9.036 -15.759 1.00 3.13 C ATOM 463 OG SER A 30 1.636 -8.393 -16.205 1.00 3.94 O ATOM 0 H SER A 30 -1.215 -9.816 -13.976 1.00 2.14 H new ATOM 0 HA SER A 30 0.345 -7.335 -14.442 1.00 2.66 H new ATOM 0 HB2 SER A 30 0.699 -9.948 -15.216 1.00 3.13 H new ATOM 0 HB3 SER A 30 -0.161 -9.330 -16.612 1.00 3.13 H new ATOM 0 HG SER A 30 2.141 -9.002 -16.783 1.00 3.94 H new ATOM 469 N GLN A 31 -1.094 -6.919 -16.854 1.00 3.75 N ATOM 470 CA GLN A 31 -2.108 -6.229 -17.713 1.00 4.43 C ATOM 471 C GLN A 31 -2.622 -4.971 -16.993 1.00 4.84 C ATOM 472 O GLN A 31 -1.950 -4.424 -16.140 1.00 5.94 O ATOM 473 CB GLN A 31 -3.270 -7.195 -18.002 1.00 5.02 C ATOM 474 CG GLN A 31 -2.720 -8.521 -18.532 1.00 4.94 C ATOM 475 CD GLN A 31 -3.851 -9.551 -18.603 1.00 5.21 C ATOM 476 OE1 GLN A 31 -4.880 -9.301 -19.198 1.00 6.28 O ATOM 477 NE2 GLN A 31 -3.701 -10.708 -18.017 1.00 5.12 N ATOM 0 H GLN A 31 -0.162 -6.991 -17.263 1.00 3.75 H new ATOM 0 HA GLN A 31 -1.652 -5.930 -18.657 1.00 4.43 H new ATOM 0 HB2 GLN A 31 -3.847 -7.367 -17.093 1.00 5.02 H new ATOM 0 HB3 GLN A 31 -3.949 -6.754 -18.732 1.00 5.02 H new ATOM 0 HG2 GLN A 31 -2.283 -8.377 -19.520 1.00 4.94 H new ATOM 0 HG3 GLN A 31 -1.924 -8.883 -17.881 1.00 4.94 H new ATOM 0 HE21 GLN A 31 -2.837 -10.918 -17.517 1.00 5.12 H new ATOM 0 HE22 GLN A 31 -4.448 -11.402 -18.059 1.00 5.12 H new ATOM 486 N ALA A 32 -3.809 -4.512 -17.322 1.00 4.56 N ATOM 487 CA ALA A 32 -4.371 -3.303 -16.655 1.00 5.12 C ATOM 488 C ALA A 32 -5.628 -3.735 -15.907 1.00 4.02 C ATOM 489 O ALA A 32 -6.736 -3.364 -16.247 1.00 4.75 O ATOM 490 CB ALA A 32 -4.721 -2.247 -17.706 1.00 6.95 C ATOM 0 H ALA A 32 -4.413 -4.930 -18.030 1.00 4.56 H new ATOM 0 HA ALA A 32 -3.647 -2.870 -15.965 1.00 5.12 H new ATOM 0 HB1 ALA A 32 -5.131 -1.365 -17.213 1.00 6.95 H new ATOM 0 HB2 ALA A 32 -3.822 -1.970 -18.257 1.00 6.95 H new ATOM 0 HB3 ALA A 32 -5.459 -2.653 -18.398 1.00 6.95 H new ATOM 496 N ILE A 33 -5.449 -4.549 -14.908 1.00 2.61 N ATOM 497 CA ILE A 33 -6.605 -5.067 -14.131 1.00 1.76 C ATOM 498 C ILE A 33 -7.055 -4.034 -13.095 1.00 2.00 C ATOM 499 O ILE A 33 -6.299 -3.168 -12.701 1.00 2.84 O ATOM 500 CB ILE A 33 -6.183 -6.357 -13.425 1.00 1.63 C ATOM 501 CG1 ILE A 33 -5.518 -7.313 -14.423 1.00 2.21 C ATOM 502 CG2 ILE A 33 -7.411 -7.030 -12.842 1.00 2.64 C ATOM 503 CD1 ILE A 33 -4.936 -8.511 -13.672 1.00 2.35 C ATOM 0 H ILE A 33 -4.538 -4.882 -14.593 1.00 2.61 H new ATOM 0 HA ILE A 33 -7.438 -5.265 -14.806 1.00 1.76 H new ATOM 0 HB ILE A 33 -5.474 -6.114 -12.634 1.00 1.63 H new ATOM 0 HG12 ILE A 33 -6.247 -7.651 -15.160 1.00 2.21 H new ATOM 0 HG13 ILE A 33 -4.730 -6.795 -14.969 1.00 2.21 H new ATOM 0 HG21 ILE A 33 -7.117 -7.950 -12.337 1.00 2.64 H new ATOM 0 HG22 ILE A 33 -7.888 -6.360 -12.126 1.00 2.64 H new ATOM 0 HG23 ILE A 33 -8.112 -7.264 -13.643 1.00 2.64 H new ATOM 0 HD11 ILE A 33 -4.463 -9.190 -14.381 1.00 2.35 H new ATOM 0 HD12 ILE A 33 -4.194 -8.164 -12.953 1.00 2.35 H new ATOM 0 HD13 ILE A 33 -5.735 -9.034 -13.146 1.00 2.35 H new ATOM 515 N HIS A 34 -8.288 -4.125 -12.650 1.00 1.93 N ATOM 516 CA HIS A 34 -8.798 -3.155 -11.637 1.00 2.20 C ATOM 517 C HIS A 34 -8.070 -3.383 -10.310 1.00 1.65 C ATOM 518 O HIS A 34 -7.611 -2.450 -9.679 1.00 2.12 O ATOM 519 CB HIS A 34 -10.308 -3.344 -11.445 1.00 2.89 C ATOM 520 CG HIS A 34 -10.613 -4.781 -11.121 1.00 2.76 C ATOM 521 ND1 HIS A 34 -10.848 -5.728 -12.106 1.00 3.33 N ATOM 522 CD2 HIS A 34 -10.735 -5.447 -9.926 1.00 3.30 C ATOM 523 CE1 HIS A 34 -11.096 -6.899 -11.493 1.00 3.45 C ATOM 524 NE2 HIS A 34 -11.040 -6.783 -10.163 1.00 3.38 N ATOM 0 H HIS A 34 -8.961 -4.832 -12.948 1.00 1.93 H new ATOM 0 HA HIS A 34 -8.614 -2.138 -11.983 1.00 2.20 H new ATOM 0 HB2 HIS A 34 -10.664 -2.699 -10.642 1.00 2.89 H new ATOM 0 HB3 HIS A 34 -10.837 -3.047 -12.350 1.00 2.89 H new ATOM 0 HD2 HIS A 34 -10.613 -5.001 -8.950 1.00 3.30 H new ATOM 0 HE1 HIS A 34 -11.314 -7.821 -12.012 1.00 3.45 H new ATOM 0 HE2 HIS A 34 -11.189 -7.517 -9.470 1.00 3.38 H new ATOM 532 N LYS A 35 -7.941 -4.620 -9.896 1.00 1.16 N ATOM 533 CA LYS A 35 -7.218 -4.914 -8.624 1.00 1.00 C ATOM 534 C LYS A 35 -5.735 -4.591 -8.823 1.00 0.87 C ATOM 535 O LYS A 35 -5.040 -4.219 -7.899 1.00 0.89 O ATOM 536 CB LYS A 35 -7.380 -6.395 -8.272 1.00 1.49 C ATOM 537 CG LYS A 35 -8.530 -6.563 -7.278 1.00 1.71 C ATOM 538 CD LYS A 35 -9.108 -7.974 -7.400 1.00 2.51 C ATOM 539 CE LYS A 35 -8.068 -8.995 -6.936 1.00 3.22 C ATOM 540 NZ LYS A 35 -7.611 -8.647 -5.561 1.00 3.57 N ATOM 0 H LYS A 35 -8.306 -5.437 -10.385 1.00 1.16 H new ATOM 0 HA LYS A 35 -7.626 -4.311 -7.813 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -7.578 -6.974 -9.174 1.00 1.49 H new ATOM 0 HB3 LYS A 35 -6.455 -6.780 -7.842 1.00 1.49 H new ATOM 0 HG2 LYS A 35 -8.175 -6.391 -6.262 1.00 1.71 H new ATOM 0 HG3 LYS A 35 -9.306 -5.823 -7.474 1.00 1.71 H new ATOM 0 HD2 LYS A 35 -10.012 -8.061 -6.798 1.00 2.51 H new ATOM 0 HD3 LYS A 35 -9.393 -8.173 -8.433 1.00 2.51 H new ATOM 0 HE2 LYS A 35 -8.497 -9.997 -6.946 1.00 3.22 H new ATOM 0 HE3 LYS A 35 -7.220 -9.004 -7.621 1.00 3.22 H new ATOM 0 HZ1 LYS A 35 -7.422 -9.519 -5.027 1.00 3.57 H new ATOM 0 HZ2 LYS A 35 -6.741 -8.080 -5.617 1.00 3.57 H new ATOM 0 HZ3 LYS A 35 -8.351 -8.099 -5.078 1.00 3.57 H new ATOM 554 N TYR A 36 -5.258 -4.726 -10.034 1.00 0.85 N ATOM 555 CA TYR A 36 -3.833 -4.426 -10.338 1.00 0.84 C ATOM 556 C TYR A 36 -3.554 -2.945 -10.035 1.00 0.74 C ATOM 557 O TYR A 36 -2.544 -2.605 -9.446 1.00 0.79 O ATOM 558 CB TYR A 36 -3.595 -4.743 -11.825 1.00 0.93 C ATOM 559 CG TYR A 36 -2.231 -4.286 -12.286 1.00 1.03 C ATOM 560 CD1 TYR A 36 -1.098 -4.544 -11.509 1.00 1.63 C ATOM 561 CD2 TYR A 36 -2.107 -3.615 -13.505 1.00 2.28 C ATOM 562 CE1 TYR A 36 0.160 -4.127 -11.951 1.00 1.74 C ATOM 563 CE2 TYR A 36 -0.852 -3.198 -13.950 1.00 2.40 C ATOM 564 CZ TYR A 36 0.285 -3.454 -13.173 1.00 1.40 C ATOM 565 OH TYR A 36 1.527 -3.043 -13.611 1.00 1.64 O ATOM 0 H TYR A 36 -5.807 -5.037 -10.835 1.00 0.85 H new ATOM 0 HA TYR A 36 -3.160 -5.027 -9.727 1.00 0.84 H new ATOM 0 HB2 TYR A 36 -3.693 -5.816 -11.988 1.00 0.93 H new ATOM 0 HB3 TYR A 36 -4.363 -4.258 -12.427 1.00 0.93 H new ATOM 0 HD1 TYR A 36 -1.195 -5.065 -10.568 1.00 1.63 H new ATOM 0 HD2 TYR A 36 -2.984 -3.419 -14.104 1.00 2.28 H new ATOM 0 HE1 TYR A 36 1.036 -4.324 -11.351 1.00 1.74 H new ATOM 0 HE2 TYR A 36 -0.757 -2.679 -14.892 1.00 2.40 H new ATOM 0 HH TYR A 36 1.436 -2.593 -14.477 1.00 1.64 H new ATOM 575 N ASN A 37 -4.446 -2.070 -10.422 1.00 0.68 N ATOM 576 CA ASN A 37 -4.248 -0.614 -10.149 1.00 0.65 C ATOM 577 C ASN A 37 -4.422 -0.336 -8.646 1.00 0.61 C ATOM 578 O ASN A 37 -4.014 0.693 -8.150 1.00 0.64 O ATOM 579 CB ASN A 37 -5.278 0.196 -10.937 1.00 0.73 C ATOM 580 CG ASN A 37 -4.750 1.614 -11.164 1.00 1.98 C ATOM 581 OD1 ASN A 37 -3.778 1.807 -11.865 1.00 3.01 O ATOM 582 ND2 ASN A 37 -5.354 2.620 -10.593 1.00 3.24 N ATOM 0 H ASN A 37 -5.307 -2.302 -10.918 1.00 0.68 H new ATOM 0 HA ASN A 37 -3.242 -0.325 -10.454 1.00 0.65 H new ATOM 0 HB2 ASN A 37 -5.480 -0.286 -11.894 1.00 0.73 H new ATOM 0 HB3 ASN A 37 -6.222 0.231 -10.393 1.00 0.73 H new ATOM 0 HD21 ASN A 37 -5.009 3.569 -10.736 1.00 3.24 H new ATOM 0 HD22 ASN A 37 -6.171 2.457 -10.004 1.00 3.24 H new ATOM 589 N ALA A 38 -5.027 -1.248 -7.922 1.00 0.65 N ATOM 590 CA ALA A 38 -5.241 -1.059 -6.452 1.00 0.71 C ATOM 591 C ALA A 38 -3.922 -0.729 -5.747 1.00 0.56 C ATOM 592 O ALA A 38 -3.870 0.066 -4.825 1.00 0.58 O ATOM 593 CB ALA A 38 -5.766 -2.376 -5.866 1.00 0.92 C ATOM 0 H ALA A 38 -5.386 -2.127 -8.293 1.00 0.65 H new ATOM 0 HA ALA A 38 -5.945 -0.240 -6.304 1.00 0.71 H new ATOM 0 HB1 ALA A 38 -5.928 -2.258 -4.795 1.00 0.92 H new ATOM 0 HB2 ALA A 38 -6.707 -2.640 -6.349 1.00 0.92 H new ATOM 0 HB3 ALA A 38 -5.036 -3.167 -6.038 1.00 0.92 H new ATOM 599 N TYR A 39 -2.874 -1.377 -6.154 1.00 0.56 N ATOM 600 CA TYR A 39 -1.539 -1.181 -5.496 1.00 0.57 C ATOM 601 C TYR A 39 -0.749 -0.070 -6.185 1.00 0.56 C ATOM 602 O TYR A 39 0.223 0.420 -5.647 1.00 0.57 O ATOM 603 CB TYR A 39 -0.727 -2.496 -5.542 1.00 0.70 C ATOM 604 CG TYR A 39 -1.670 -3.675 -5.654 1.00 0.80 C ATOM 605 CD1 TYR A 39 -2.419 -4.078 -4.545 1.00 1.42 C ATOM 606 CD2 TYR A 39 -1.829 -4.321 -6.883 1.00 1.96 C ATOM 607 CE1 TYR A 39 -3.327 -5.135 -4.665 1.00 1.44 C ATOM 608 CE2 TYR A 39 -2.732 -5.381 -7.003 1.00 2.06 C ATOM 609 CZ TYR A 39 -3.483 -5.788 -5.894 1.00 1.05 C ATOM 610 OH TYR A 39 -4.379 -6.830 -6.013 1.00 1.19 O ATOM 0 H TYR A 39 -2.875 -2.045 -6.924 1.00 0.56 H new ATOM 0 HA TYR A 39 -1.712 -0.895 -4.459 1.00 0.57 H new ATOM 0 HB2 TYR A 39 -0.043 -2.483 -6.391 1.00 0.70 H new ATOM 0 HB3 TYR A 39 -0.117 -2.590 -4.643 1.00 0.70 H new ATOM 0 HD1 TYR A 39 -2.297 -3.574 -3.597 1.00 1.42 H new ATOM 0 HD2 TYR A 39 -1.254 -4.001 -7.740 1.00 1.96 H new ATOM 0 HE1 TYR A 39 -3.908 -5.448 -3.810 1.00 1.44 H new ATOM 0 HE2 TYR A 39 -2.850 -5.886 -7.951 1.00 2.06 H new ATOM 0 HH TYR A 39 -4.364 -7.171 -6.932 1.00 1.19 H new ATOM 620 N ARG A 40 -1.142 0.333 -7.362 1.00 0.65 N ATOM 621 CA ARG A 40 -0.396 1.413 -8.062 1.00 0.77 C ATOM 622 C ARG A 40 -0.820 2.768 -7.488 1.00 0.77 C ATOM 623 O ARG A 40 -0.036 3.697 -7.416 1.00 0.97 O ATOM 624 CB ARG A 40 -0.704 1.349 -9.557 1.00 0.84 C ATOM 625 CG ARG A 40 0.411 2.051 -10.343 1.00 1.06 C ATOM 626 CD ARG A 40 1.740 1.305 -10.155 1.00 0.78 C ATOM 627 NE ARG A 40 2.763 2.231 -9.557 1.00 2.15 N ATOM 628 CZ ARG A 40 3.048 3.403 -10.086 1.00 2.79 C ATOM 629 NH1 ARG A 40 2.602 3.747 -11.271 1.00 3.12 N ATOM 630 NH2 ARG A 40 3.843 4.215 -9.445 1.00 4.26 N ATOM 0 H ARG A 40 -1.946 -0.039 -7.867 1.00 0.65 H new ATOM 0 HA ARG A 40 0.677 1.285 -7.916 1.00 0.77 H new ATOM 0 HB2 ARG A 40 -0.790 0.310 -9.877 1.00 0.84 H new ATOM 0 HB3 ARG A 40 -1.663 1.826 -9.762 1.00 0.84 H new ATOM 0 HG2 ARG A 40 0.153 2.088 -11.401 1.00 1.06 H new ATOM 0 HG3 ARG A 40 0.512 3.082 -10.003 1.00 1.06 H new ATOM 0 HD2 ARG A 40 1.594 0.441 -9.506 1.00 0.78 H new ATOM 0 HD3 ARG A 40 2.094 0.927 -11.114 1.00 0.78 H new ATOM 0 HE ARG A 40 3.254 1.941 -8.711 1.00 2.15 H new ATOM 0 HH11 ARG A 40 2.020 3.101 -11.804 1.00 3.12 H new ATOM 0 HH12 ARG A 40 2.837 4.661 -11.659 1.00 3.12 H new ATOM 0 HH21 ARG A 40 4.236 3.939 -8.545 1.00 4.26 H new ATOM 0 HH22 ARG A 40 4.072 5.126 -9.844 1.00 4.26 H new ATOM 644 N LYS A 41 -2.053 2.878 -7.065 1.00 0.69 N ATOM 645 CA LYS A 41 -2.543 4.162 -6.484 1.00 0.82 C ATOM 646 C LYS A 41 -2.159 4.231 -5.004 1.00 0.74 C ATOM 647 O LYS A 41 -1.635 5.226 -4.539 1.00 0.76 O ATOM 648 CB LYS A 41 -4.066 4.233 -6.620 1.00 0.91 C ATOM 649 CG LYS A 41 -4.524 5.685 -6.473 1.00 1.95 C ATOM 650 CD LYS A 41 -6.040 5.724 -6.273 1.00 2.78 C ATOM 651 CE LYS A 41 -6.739 5.495 -7.614 1.00 3.01 C ATOM 652 NZ LYS A 41 -8.122 6.048 -7.553 1.00 4.03 N ATOM 0 H LYS A 41 -2.745 2.129 -7.098 1.00 0.69 H new ATOM 0 HA LYS A 41 -2.091 4.999 -7.016 1.00 0.82 H new ATOM 0 HB2 LYS A 41 -4.374 3.840 -7.589 1.00 0.91 H new ATOM 0 HB3 LYS A 41 -4.539 3.612 -5.859 1.00 0.91 H new ATOM 0 HG2 LYS A 41 -4.023 6.152 -5.625 1.00 1.95 H new ATOM 0 HG3 LYS A 41 -4.249 6.256 -7.360 1.00 1.95 H new ATOM 0 HD2 LYS A 41 -6.343 4.959 -5.558 1.00 2.78 H new ATOM 0 HD3 LYS A 41 -6.338 6.686 -5.856 1.00 2.78 H new ATOM 0 HE2 LYS A 41 -6.178 5.976 -8.416 1.00 3.01 H new ATOM 0 HE3 LYS A 41 -6.771 4.430 -7.842 1.00 3.01 H new ATOM 0 HZ1 LYS A 41 -8.598 5.893 -8.464 1.00 4.03 H new ATOM 0 HZ2 LYS A 41 -8.654 5.570 -6.798 1.00 4.03 H new ATOM 0 HZ3 LYS A 41 -8.080 7.068 -7.354 1.00 4.03 H new ATOM 666 N ALA A 42 -2.420 3.182 -4.261 1.00 0.69 N ATOM 667 CA ALA A 42 -2.072 3.188 -2.808 1.00 0.66 C ATOM 668 C ALA A 42 -0.553 3.263 -2.644 1.00 0.62 C ATOM 669 O ALA A 42 -0.044 4.034 -1.853 1.00 0.71 O ATOM 670 CB ALA A 42 -2.591 1.907 -2.151 1.00 0.68 C ATOM 0 H ALA A 42 -2.858 2.325 -4.598 1.00 0.69 H new ATOM 0 HA ALA A 42 -2.532 4.054 -2.332 1.00 0.66 H new ATOM 0 HB1 ALA A 42 -2.336 1.913 -1.091 1.00 0.68 H new ATOM 0 HB2 ALA A 42 -3.674 1.853 -2.264 1.00 0.68 H new ATOM 0 HB3 ALA A 42 -2.133 1.041 -2.629 1.00 0.68 H new ATOM 676 N ALA A 43 0.171 2.463 -3.384 1.00 0.65 N ATOM 677 CA ALA A 43 1.659 2.475 -3.275 1.00 0.66 C ATOM 678 C ALA A 43 2.221 3.774 -3.863 1.00 0.64 C ATOM 679 O ALA A 43 3.324 4.170 -3.546 1.00 0.64 O ATOM 680 CB ALA A 43 2.239 1.283 -4.031 1.00 0.80 C ATOM 0 H ALA A 43 -0.207 1.800 -4.061 1.00 0.65 H new ATOM 0 HA ALA A 43 1.936 2.410 -2.223 1.00 0.66 H new ATOM 0 HB1 ALA A 43 3.326 1.294 -3.950 1.00 0.80 H new ATOM 0 HB2 ALA A 43 1.853 0.358 -3.603 1.00 0.80 H new ATOM 0 HB3 ALA A 43 1.953 1.344 -5.081 1.00 0.80 H new ATOM 686 N SER A 44 1.477 4.441 -4.713 1.00 0.70 N ATOM 687 CA SER A 44 1.985 5.716 -5.298 1.00 0.73 C ATOM 688 C SER A 44 1.957 6.801 -4.217 1.00 0.57 C ATOM 689 O SER A 44 2.790 7.687 -4.190 1.00 0.59 O ATOM 690 CB SER A 44 1.094 6.135 -6.468 1.00 0.87 C ATOM 691 OG SER A 44 1.374 7.485 -6.812 1.00 1.65 O ATOM 0 H SER A 44 0.547 4.158 -5.023 1.00 0.70 H new ATOM 0 HA SER A 44 3.004 5.578 -5.658 1.00 0.73 H new ATOM 0 HB2 SER A 44 1.270 5.485 -7.325 1.00 0.87 H new ATOM 0 HB3 SER A 44 0.044 6.027 -6.197 1.00 0.87 H new ATOM 0 HG SER A 44 0.805 7.756 -7.563 1.00 1.65 H new ATOM 697 N VAL A 45 0.995 6.735 -3.332 1.00 0.50 N ATOM 698 CA VAL A 45 0.885 7.754 -2.245 1.00 0.42 C ATOM 699 C VAL A 45 1.652 7.297 -0.990 1.00 0.38 C ATOM 700 O VAL A 45 1.929 8.095 -0.116 1.00 0.53 O ATOM 701 CB VAL A 45 -0.601 7.958 -1.906 1.00 0.47 C ATOM 702 CG1 VAL A 45 -1.215 6.627 -1.463 1.00 0.51 C ATOM 703 CG2 VAL A 45 -0.754 8.985 -0.776 1.00 0.48 C ATOM 0 H VAL A 45 0.275 6.013 -3.316 1.00 0.50 H new ATOM 0 HA VAL A 45 1.323 8.692 -2.586 1.00 0.42 H new ATOM 0 HB VAL A 45 -1.115 8.325 -2.794 1.00 0.47 H new ATOM 0 HG11 VAL A 45 -2.268 6.774 -1.223 1.00 0.51 H new ATOM 0 HG12 VAL A 45 -1.125 5.899 -2.269 1.00 0.51 H new ATOM 0 HG13 VAL A 45 -0.690 6.260 -0.581 1.00 0.51 H new ATOM 0 HG21 VAL A 45 -1.811 9.119 -0.547 1.00 0.48 H new ATOM 0 HG22 VAL A 45 -0.232 8.629 0.112 1.00 0.48 H new ATOM 0 HG23 VAL A 45 -0.327 9.938 -1.090 1.00 0.48 H new ATOM 713 N ILE A 46 1.969 6.030 -0.878 1.00 0.40 N ATOM 714 CA ILE A 46 2.686 5.537 0.340 1.00 0.50 C ATOM 715 C ILE A 46 4.209 5.625 0.143 1.00 0.52 C ATOM 716 O ILE A 46 4.922 6.147 0.979 1.00 0.63 O ATOM 717 CB ILE A 46 2.208 4.079 0.637 1.00 0.74 C ATOM 718 CG1 ILE A 46 1.601 4.019 2.046 1.00 1.20 C ATOM 719 CG2 ILE A 46 3.338 3.038 0.532 1.00 1.90 C ATOM 720 CD1 ILE A 46 0.346 3.143 2.038 1.00 1.29 C ATOM 0 H ILE A 46 1.762 5.316 -1.577 1.00 0.40 H new ATOM 0 HA ILE A 46 2.451 6.163 1.201 1.00 0.50 H new ATOM 0 HB ILE A 46 1.467 3.828 -0.122 1.00 0.74 H new ATOM 0 HG12 ILE A 46 2.331 3.617 2.749 1.00 1.20 H new ATOM 0 HG13 ILE A 46 1.351 5.024 2.386 1.00 1.20 H new ATOM 0 HG21 ILE A 46 2.941 2.047 0.750 1.00 1.90 H new ATOM 0 HG22 ILE A 46 3.751 3.050 -0.477 1.00 1.90 H new ATOM 0 HG23 ILE A 46 4.123 3.280 1.249 1.00 1.90 H new ATOM 0 HD11 ILE A 46 -0.078 3.106 3.041 1.00 1.29 H new ATOM 0 HD12 ILE A 46 -0.387 3.564 1.350 1.00 1.29 H new ATOM 0 HD13 ILE A 46 0.608 2.135 1.717 1.00 1.29 H new ATOM 732 N ALA A 47 4.707 5.085 -0.936 1.00 0.61 N ATOM 733 CA ALA A 47 6.182 5.092 -1.189 1.00 0.74 C ATOM 734 C ALA A 47 6.755 6.506 -1.034 1.00 0.77 C ATOM 735 O ALA A 47 7.799 6.688 -0.435 1.00 0.90 O ATOM 736 CB ALA A 47 6.454 4.559 -2.589 1.00 0.86 C ATOM 0 H ALA A 47 4.151 4.634 -1.662 1.00 0.61 H new ATOM 0 HA ALA A 47 6.671 4.451 -0.456 1.00 0.74 H new ATOM 0 HB1 ALA A 47 7.528 4.562 -2.777 1.00 0.86 H new ATOM 0 HB2 ALA A 47 6.075 3.540 -2.671 1.00 0.86 H new ATOM 0 HB3 ALA A 47 5.955 5.192 -3.323 1.00 0.86 H new ATOM 742 N LYS A 48 6.067 7.510 -1.525 1.00 0.72 N ATOM 743 CA LYS A 48 6.568 8.910 -1.350 1.00 0.84 C ATOM 744 C LYS A 48 6.458 9.229 0.142 1.00 0.90 C ATOM 745 O LYS A 48 7.327 9.832 0.739 1.00 1.15 O ATOM 746 CB LYS A 48 5.701 9.878 -2.157 1.00 0.82 C ATOM 747 CG LYS A 48 6.561 11.038 -2.661 1.00 1.51 C ATOM 748 CD LYS A 48 5.657 12.172 -3.147 1.00 1.81 C ATOM 749 CE LYS A 48 6.457 13.476 -3.205 1.00 2.83 C ATOM 750 NZ LYS A 48 7.661 13.282 -4.061 1.00 3.57 N ATOM 0 H LYS A 48 5.188 7.422 -2.035 1.00 0.72 H new ATOM 0 HA LYS A 48 7.596 9.009 -1.699 1.00 0.84 H new ATOM 0 HB2 LYS A 48 5.244 9.358 -2.999 1.00 0.82 H new ATOM 0 HB3 LYS A 48 4.888 10.257 -1.538 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.212 11.395 -1.863 1.00 1.51 H new ATOM 0 HG3 LYS A 48 7.206 10.700 -3.472 1.00 1.51 H new ATOM 0 HD2 LYS A 48 5.257 11.935 -4.133 1.00 1.81 H new ATOM 0 HD3 LYS A 48 4.806 12.285 -2.476 1.00 1.81 H new ATOM 0 HE2 LYS A 48 5.837 14.278 -3.607 1.00 2.83 H new ATOM 0 HE3 LYS A 48 6.756 13.777 -2.201 1.00 2.83 H new ATOM 0 HZ1 LYS A 48 8.063 14.208 -4.310 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 8.370 12.725 -3.542 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 7.392 12.777 -4.929 1.00 3.57 H new ATOM 764 N TYR A 49 5.399 8.761 0.742 1.00 0.79 N ATOM 765 CA TYR A 49 5.184 8.936 2.205 1.00 0.92 C ATOM 766 C TYR A 49 6.316 8.177 2.926 1.00 1.06 C ATOM 767 O TYR A 49 6.932 7.326 2.315 1.00 1.15 O ATOM 768 CB TYR A 49 3.819 8.291 2.521 1.00 1.05 C ATOM 769 CG TYR A 49 3.171 8.901 3.736 1.00 0.91 C ATOM 770 CD1 TYR A 49 3.193 10.285 3.938 1.00 2.14 C ATOM 771 CD2 TYR A 49 2.552 8.067 4.674 1.00 1.42 C ATOM 772 CE1 TYR A 49 2.599 10.828 5.077 1.00 2.57 C ATOM 773 CE2 TYR A 49 1.955 8.614 5.812 1.00 1.44 C ATOM 774 CZ TYR A 49 1.981 9.996 6.016 1.00 1.70 C ATOM 775 OH TYR A 49 1.392 10.540 7.139 1.00 2.27 O ATOM 0 H TYR A 49 4.655 8.251 0.266 1.00 0.79 H new ATOM 0 HA TYR A 49 5.190 9.980 2.520 1.00 0.92 H new ATOM 0 HB2 TYR A 49 3.157 8.405 1.662 1.00 1.05 H new ATOM 0 HB3 TYR A 49 3.953 7.221 2.681 1.00 1.05 H new ATOM 0 HD1 TYR A 49 3.668 10.931 3.214 1.00 2.14 H new ATOM 0 HD2 TYR A 49 2.536 6.999 4.518 1.00 1.42 H new ATOM 0 HE1 TYR A 49 2.616 11.896 5.235 1.00 2.57 H new ATOM 0 HE2 TYR A 49 1.474 7.970 6.533 1.00 1.44 H new ATOM 0 HH TYR A 49 1.065 11.440 6.933 1.00 2.27 H new ATOM 785 N PRO A 50 6.575 8.459 4.198 1.00 1.23 N ATOM 786 CA PRO A 50 7.638 7.741 4.926 1.00 1.49 C ATOM 787 C PRO A 50 7.303 6.241 5.055 1.00 1.51 C ATOM 788 O PRO A 50 8.098 5.483 5.571 1.00 1.76 O ATOM 789 CB PRO A 50 7.706 8.416 6.303 1.00 1.68 C ATOM 790 CG PRO A 50 6.737 9.621 6.275 1.00 1.60 C ATOM 791 CD PRO A 50 5.884 9.487 5.006 1.00 1.33 C ATOM 0 HA PRO A 50 8.594 7.790 4.405 1.00 1.49 H new ATOM 0 HB2 PRO A 50 7.424 7.715 7.089 1.00 1.68 H new ATOM 0 HB3 PRO A 50 8.722 8.745 6.519 1.00 1.68 H new ATOM 0 HG2 PRO A 50 6.106 9.628 7.164 1.00 1.60 H new ATOM 0 HG3 PRO A 50 7.291 10.560 6.269 1.00 1.60 H new ATOM 0 HD2 PRO A 50 4.864 9.184 5.244 1.00 1.33 H new ATOM 0 HD3 PRO A 50 5.819 10.434 4.471 1.00 1.33 H new ATOM 799 N HIS A 51 6.130 5.810 4.602 1.00 1.35 N ATOM 800 CA HIS A 51 5.730 4.369 4.678 1.00 1.50 C ATOM 801 C HIS A 51 6.018 3.778 6.056 1.00 1.59 C ATOM 802 O HIS A 51 6.826 2.884 6.210 1.00 3.35 O ATOM 803 CB HIS A 51 6.428 3.541 3.581 1.00 2.16 C ATOM 804 CG HIS A 51 7.922 3.646 3.690 1.00 1.79 C ATOM 805 ND1 HIS A 51 8.640 4.660 3.077 1.00 2.05 N ATOM 806 CD2 HIS A 51 8.850 2.869 4.339 1.00 2.98 C ATOM 807 CE1 HIS A 51 9.940 4.468 3.366 1.00 2.51 C ATOM 808 NE2 HIS A 51 10.124 3.392 4.133 1.00 3.31 N ATOM 0 H HIS A 51 5.429 6.417 4.177 1.00 1.35 H new ATOM 0 HA HIS A 51 4.654 4.324 4.512 1.00 1.50 H new ATOM 0 HB2 HIS A 51 6.127 2.497 3.663 1.00 2.16 H new ATOM 0 HB3 HIS A 51 6.107 3.889 2.599 1.00 2.16 H new ATOM 0 HD1 HIS A 51 8.254 5.415 2.510 1.00 2.05 H new ATOM 0 HD2 HIS A 51 8.626 1.987 4.920 1.00 2.98 H new ATOM 0 HE1 HIS A 51 10.738 5.108 3.019 1.00 2.51 H new ATOM 816 N LYS A 52 5.326 4.265 7.049 1.00 1.07 N ATOM 817 CA LYS A 52 5.499 3.746 8.433 1.00 1.04 C ATOM 818 C LYS A 52 4.572 4.534 9.359 1.00 1.09 C ATOM 819 O LYS A 52 4.674 5.743 9.465 1.00 2.02 O ATOM 820 CB LYS A 52 6.954 3.929 8.890 1.00 1.33 C ATOM 821 CG LYS A 52 7.135 3.339 10.295 1.00 1.73 C ATOM 822 CD LYS A 52 8.010 4.271 11.138 1.00 2.31 C ATOM 823 CE LYS A 52 7.713 4.049 12.622 1.00 3.15 C ATOM 824 NZ LYS A 52 7.837 5.342 13.352 1.00 4.14 N ATOM 0 H LYS A 52 4.638 5.012 6.957 1.00 1.07 H new ATOM 0 HA LYS A 52 5.256 2.684 8.462 1.00 1.04 H new ATOM 0 HB2 LYS A 52 7.629 3.438 8.189 1.00 1.33 H new ATOM 0 HB3 LYS A 52 7.213 4.988 8.894 1.00 1.33 H new ATOM 0 HG2 LYS A 52 6.164 3.206 10.772 1.00 1.73 H new ATOM 0 HG3 LYS A 52 7.595 2.353 10.229 1.00 1.73 H new ATOM 0 HD2 LYS A 52 9.064 4.080 10.935 1.00 2.31 H new ATOM 0 HD3 LYS A 52 7.817 5.310 10.869 1.00 2.31 H new ATOM 0 HE2 LYS A 52 6.709 3.644 12.746 1.00 3.15 H new ATOM 0 HE3 LYS A 52 8.406 3.317 13.037 1.00 3.15 H new ATOM 0 HZ1 LYS A 52 8.108 5.159 14.339 1.00 4.14 H new ATOM 0 HZ2 LYS A 52 8.564 5.929 12.897 1.00 4.14 H new ATOM 0 HZ3 LYS A 52 6.925 5.842 13.330 1.00 4.14 H new ATOM 838 N ILE A 53 3.665 3.865 10.025 1.00 1.20 N ATOM 839 CA ILE A 53 2.727 4.582 10.937 1.00 1.46 C ATOM 840 C ILE A 53 2.249 3.632 12.038 1.00 1.49 C ATOM 841 O ILE A 53 1.933 2.483 11.790 1.00 1.58 O ATOM 842 CB ILE A 53 1.525 5.095 10.135 1.00 1.66 C ATOM 843 CG1 ILE A 53 0.920 3.953 9.313 1.00 1.80 C ATOM 844 CG2 ILE A 53 1.982 6.206 9.186 1.00 1.97 C ATOM 845 CD1 ILE A 53 -0.593 4.145 9.206 1.00 2.41 C ATOM 0 H ILE A 53 3.535 2.855 9.976 1.00 1.20 H new ATOM 0 HA ILE A 53 3.242 5.427 11.394 1.00 1.46 H new ATOM 0 HB ILE A 53 0.776 5.481 10.826 1.00 1.66 H new ATOM 0 HG12 ILE A 53 1.365 3.932 8.318 1.00 1.80 H new ATOM 0 HG13 ILE A 53 1.143 2.995 9.783 1.00 1.80 H new ATOM 0 HG21 ILE A 53 1.128 6.571 8.615 1.00 1.97 H new ATOM 0 HG22 ILE A 53 2.409 7.025 9.764 1.00 1.97 H new ATOM 0 HG23 ILE A 53 2.734 5.814 8.502 1.00 1.97 H new ATOM 0 HD11 ILE A 53 -1.022 3.332 8.621 1.00 2.41 H new ATOM 0 HD12 ILE A 53 -1.031 4.145 10.204 1.00 2.41 H new ATOM 0 HD13 ILE A 53 -0.805 5.096 8.717 1.00 2.41 H new ATOM 857 N LYS A 54 2.199 4.107 13.256 1.00 1.70 N ATOM 858 CA LYS A 54 1.743 3.244 14.386 1.00 1.83 C ATOM 859 C LYS A 54 0.229 3.383 14.561 1.00 1.89 C ATOM 860 O LYS A 54 -0.436 2.471 15.016 1.00 2.28 O ATOM 861 CB LYS A 54 2.450 3.667 15.677 1.00 2.36 C ATOM 862 CG LYS A 54 2.257 5.169 15.906 1.00 2.69 C ATOM 863 CD LYS A 54 2.594 5.513 17.359 1.00 3.24 C ATOM 864 CE LYS A 54 3.260 6.888 17.419 1.00 4.07 C ATOM 865 NZ LYS A 54 2.896 7.561 18.699 1.00 4.71 N ATOM 0 H LYS A 54 2.455 5.059 13.517 1.00 1.70 H new ATOM 0 HA LYS A 54 1.987 2.205 14.165 1.00 1.83 H new ATOM 0 HB2 LYS A 54 2.050 3.107 16.522 1.00 2.36 H new ATOM 0 HB3 LYS A 54 3.513 3.433 15.614 1.00 2.36 H new ATOM 0 HG2 LYS A 54 2.897 5.736 15.230 1.00 2.69 H new ATOM 0 HG3 LYS A 54 1.228 5.452 15.684 1.00 2.69 H new ATOM 0 HD2 LYS A 54 1.687 5.510 17.964 1.00 3.24 H new ATOM 0 HD3 LYS A 54 3.259 4.757 17.778 1.00 3.24 H new ATOM 0 HE2 LYS A 54 4.342 6.783 17.346 1.00 4.07 H new ATOM 0 HE3 LYS A 54 2.941 7.496 16.572 1.00 4.07 H new ATOM 0 HZ1 LYS A 54 3.349 8.496 18.740 1.00 4.71 H new ATOM 0 HZ2 LYS A 54 1.863 7.674 18.751 1.00 4.71 H new ATOM 0 HZ3 LYS A 54 3.222 6.983 19.500 1.00 4.71 H new ATOM 879 N SER A 55 -0.320 4.518 14.205 1.00 2.02 N ATOM 880 CA SER A 55 -1.791 4.724 14.350 1.00 2.39 C ATOM 881 C SER A 55 -2.538 3.804 13.380 1.00 2.14 C ATOM 882 O SER A 55 -3.107 2.804 13.775 1.00 3.18 O ATOM 883 CB SER A 55 -2.134 6.182 14.040 1.00 2.71 C ATOM 884 OG SER A 55 -1.892 6.978 15.193 1.00 3.77 O ATOM 0 H SER A 55 0.191 5.312 13.819 1.00 2.02 H new ATOM 0 HA SER A 55 -2.090 4.489 15.371 1.00 2.39 H new ATOM 0 HB2 SER A 55 -1.532 6.539 13.205 1.00 2.71 H new ATOM 0 HB3 SER A 55 -3.178 6.266 13.739 1.00 2.71 H new ATOM 0 HG SER A 55 -2.109 7.913 14.996 1.00 3.77 H new ATOM 890 N GLY A 56 -2.541 4.138 12.113 1.00 1.95 N ATOM 891 CA GLY A 56 -3.250 3.290 11.111 1.00 1.73 C ATOM 892 C GLY A 56 -4.174 4.166 10.263 1.00 1.37 C ATOM 893 O GLY A 56 -4.397 3.902 9.096 1.00 1.43 O ATOM 0 H GLY A 56 -2.081 4.964 11.731 1.00 1.95 H new ATOM 0 HA2 GLY A 56 -2.527 2.781 10.473 1.00 1.73 H new ATOM 0 HA3 GLY A 56 -3.828 2.517 11.617 1.00 1.73 H new ATOM 897 N ALA A 57 -4.709 5.209 10.844 1.00 1.22 N ATOM 898 CA ALA A 57 -5.621 6.114 10.083 1.00 1.06 C ATOM 899 C ALA A 57 -4.826 6.928 9.051 1.00 0.91 C ATOM 900 O ALA A 57 -5.402 7.568 8.189 1.00 0.90 O ATOM 901 CB ALA A 57 -6.311 7.070 11.059 1.00 1.21 C ATOM 0 H ALA A 57 -4.553 5.474 11.817 1.00 1.22 H new ATOM 0 HA ALA A 57 -6.365 5.512 9.561 1.00 1.06 H new ATOM 0 HB1 ALA A 57 -6.978 7.733 10.508 1.00 1.21 H new ATOM 0 HB2 ALA A 57 -6.887 6.496 11.784 1.00 1.21 H new ATOM 0 HB3 ALA A 57 -5.559 7.663 11.580 1.00 1.21 H new ATOM 907 N GLU A 58 -3.515 6.916 9.127 1.00 0.89 N ATOM 908 CA GLU A 58 -2.697 7.693 8.150 1.00 0.82 C ATOM 909 C GLU A 58 -2.937 7.164 6.734 1.00 0.70 C ATOM 910 O GLU A 58 -2.930 7.912 5.778 1.00 0.70 O ATOM 911 CB GLU A 58 -1.214 7.550 8.502 1.00 0.96 C ATOM 912 CG GLU A 58 -0.780 8.727 9.379 1.00 1.74 C ATOM 913 CD GLU A 58 -1.021 8.384 10.850 1.00 2.27 C ATOM 914 OE1 GLU A 58 -2.172 8.195 11.212 1.00 3.40 O ATOM 915 OE2 GLU A 58 -0.053 8.317 11.590 1.00 3.05 O ATOM 0 H GLU A 58 -2.979 6.400 9.825 1.00 0.89 H new ATOM 0 HA GLU A 58 -2.986 8.743 8.194 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.043 6.610 9.026 1.00 0.96 H new ATOM 0 HB3 GLU A 58 -0.615 7.521 7.592 1.00 0.96 H new ATOM 0 HG2 GLU A 58 0.275 8.947 9.214 1.00 1.74 H new ATOM 0 HG3 GLU A 58 -1.339 9.622 9.107 1.00 1.74 H new ATOM 922 N ALA A 59 -3.148 5.879 6.593 1.00 0.71 N ATOM 923 CA ALA A 59 -3.388 5.297 5.238 1.00 0.70 C ATOM 924 C ALA A 59 -4.679 5.871 4.647 1.00 0.72 C ATOM 925 O ALA A 59 -4.829 5.965 3.443 1.00 0.78 O ATOM 926 CB ALA A 59 -3.514 3.776 5.352 1.00 0.88 C ATOM 0 H ALA A 59 -3.164 5.207 7.360 1.00 0.71 H new ATOM 0 HA ALA A 59 -2.551 5.548 4.586 1.00 0.70 H new ATOM 0 HB1 ALA A 59 -3.689 3.350 4.364 1.00 0.88 H new ATOM 0 HB2 ALA A 59 -2.594 3.365 5.766 1.00 0.88 H new ATOM 0 HB3 ALA A 59 -4.349 3.528 6.007 1.00 0.88 H new ATOM 932 N LYS A 60 -5.611 6.248 5.485 1.00 0.81 N ATOM 933 CA LYS A 60 -6.897 6.813 4.979 1.00 0.96 C ATOM 934 C LYS A 60 -6.661 8.210 4.399 1.00 0.94 C ATOM 935 O LYS A 60 -7.059 8.503 3.287 1.00 1.16 O ATOM 936 CB LYS A 60 -7.900 6.902 6.133 1.00 1.19 C ATOM 937 CG LYS A 60 -8.785 5.652 6.144 1.00 1.44 C ATOM 938 CD LYS A 60 -10.105 5.950 5.430 1.00 2.24 C ATOM 939 CE LYS A 60 -11.027 6.732 6.368 1.00 2.86 C ATOM 940 NZ LYS A 60 -11.888 7.649 5.567 1.00 4.30 N ATOM 0 H LYS A 60 -5.536 6.188 6.500 1.00 0.81 H new ATOM 0 HA LYS A 60 -7.292 6.164 4.197 1.00 0.96 H new ATOM 0 HB2 LYS A 60 -7.371 6.993 7.082 1.00 1.19 H new ATOM 0 HB3 LYS A 60 -8.516 7.795 6.024 1.00 1.19 H new ATOM 0 HG2 LYS A 60 -8.272 4.827 5.651 1.00 1.44 H new ATOM 0 HG3 LYS A 60 -8.978 5.340 7.170 1.00 1.44 H new ATOM 0 HD2 LYS A 60 -9.918 6.525 4.523 1.00 2.24 H new ATOM 0 HD3 LYS A 60 -10.584 5.020 5.124 1.00 2.24 H new ATOM 0 HE2 LYS A 60 -11.646 6.044 6.943 1.00 2.86 H new ATOM 0 HE3 LYS A 60 -10.436 7.303 7.084 1.00 2.86 H new ATOM 0 HZ1 LYS A 60 -12.515 8.181 6.204 1.00 4.30 H new ATOM 0 HZ2 LYS A 60 -11.289 8.313 5.037 1.00 4.30 H new ATOM 0 HZ3 LYS A 60 -12.462 7.093 4.901 1.00 4.30 H new ATOM 954 N LYS A 61 -6.025 9.076 5.148 1.00 0.86 N ATOM 955 CA LYS A 61 -5.768 10.461 4.650 1.00 0.98 C ATOM 956 C LYS A 61 -4.896 10.412 3.391 1.00 0.95 C ATOM 957 O LYS A 61 -5.005 11.255 2.522 1.00 1.14 O ATOM 958 CB LYS A 61 -5.056 11.275 5.736 1.00 1.06 C ATOM 959 CG LYS A 61 -3.772 10.558 6.161 1.00 1.37 C ATOM 960 CD LYS A 61 -2.969 11.463 7.097 1.00 1.74 C ATOM 961 CE LYS A 61 -2.265 12.548 6.281 1.00 1.92 C ATOM 962 NZ LYS A 61 -1.915 13.690 7.171 1.00 2.58 N ATOM 0 H LYS A 61 -5.672 8.882 6.085 1.00 0.86 H new ATOM 0 HA LYS A 61 -6.720 10.934 4.407 1.00 0.98 H new ATOM 0 HB2 LYS A 61 -4.821 12.271 5.361 1.00 1.06 H new ATOM 0 HB3 LYS A 61 -5.713 11.405 6.596 1.00 1.06 H new ATOM 0 HG2 LYS A 61 -4.015 9.621 6.663 1.00 1.37 H new ATOM 0 HG3 LYS A 61 -3.177 10.304 5.284 1.00 1.37 H new ATOM 0 HD2 LYS A 61 -3.630 11.919 7.834 1.00 1.74 H new ATOM 0 HD3 LYS A 61 -2.235 10.874 7.648 1.00 1.74 H new ATOM 0 HE2 LYS A 61 -1.364 12.144 5.819 1.00 1.92 H new ATOM 0 HE3 LYS A 61 -2.913 12.888 5.473 1.00 1.92 H new ATOM 0 HZ1 LYS A 61 -1.436 14.428 6.617 1.00 2.58 H new ATOM 0 HZ2 LYS A 61 -2.782 14.081 7.592 1.00 2.58 H new ATOM 0 HZ3 LYS A 61 -1.282 13.360 7.927 1.00 2.58 H new ATOM 976 N LEU A 62 -4.035 9.432 3.290 1.00 0.88 N ATOM 977 CA LEU A 62 -3.152 9.321 2.091 1.00 1.05 C ATOM 978 C LEU A 62 -4.022 9.083 0.837 1.00 1.24 C ATOM 979 O LEU A 62 -4.641 8.042 0.732 1.00 1.47 O ATOM 980 CB LEU A 62 -2.200 8.136 2.273 1.00 1.19 C ATOM 981 CG LEU A 62 -1.234 8.424 3.428 1.00 1.26 C ATOM 982 CD1 LEU A 62 -0.705 7.102 4.007 1.00 1.55 C ATOM 983 CD2 LEU A 62 -0.063 9.267 2.912 1.00 1.31 C ATOM 0 H LEU A 62 -3.905 8.701 3.990 1.00 0.88 H new ATOM 0 HA LEU A 62 -2.578 10.240 1.973 1.00 1.05 H new ATOM 0 HB2 LEU A 62 -2.768 7.229 2.478 1.00 1.19 H new ATOM 0 HB3 LEU A 62 -1.641 7.961 1.354 1.00 1.19 H new ATOM 0 HG LEU A 62 -1.759 8.971 4.211 1.00 1.26 H new ATOM 0 HD11 LEU A 62 -0.019 7.313 4.827 1.00 1.55 H new ATOM 0 HD12 LEU A 62 -1.540 6.506 4.376 1.00 1.55 H new ATOM 0 HD13 LEU A 62 -0.180 6.548 3.229 1.00 1.55 H new ATOM 0 HD21 LEU A 62 0.626 9.473 3.731 1.00 1.31 H new ATOM 0 HD22 LEU A 62 0.460 8.721 2.127 1.00 1.31 H new ATOM 0 HD23 LEU A 62 -0.441 10.207 2.510 1.00 1.31 H new ATOM 995 N PRO A 63 -4.064 10.036 -0.087 1.00 1.34 N ATOM 996 CA PRO A 63 -4.877 9.875 -1.307 1.00 1.61 C ATOM 997 C PRO A 63 -4.364 8.688 -2.129 1.00 1.92 C ATOM 998 O PRO A 63 -3.486 8.832 -2.959 1.00 2.87 O ATOM 999 CB PRO A 63 -4.699 11.190 -2.084 1.00 1.76 C ATOM 1000 CG PRO A 63 -3.726 12.085 -1.279 1.00 1.70 C ATOM 1001 CD PRO A 63 -3.330 11.322 -0.007 1.00 1.40 C ATOM 0 HA PRO A 63 -5.925 9.677 -1.083 1.00 1.61 H new ATOM 0 HB2 PRO A 63 -4.303 10.995 -3.081 1.00 1.76 H new ATOM 0 HB3 PRO A 63 -5.659 11.690 -2.215 1.00 1.76 H new ATOM 0 HG2 PRO A 63 -2.843 12.321 -1.873 1.00 1.70 H new ATOM 0 HG3 PRO A 63 -4.201 13.032 -1.024 1.00 1.70 H new ATOM 0 HD2 PRO A 63 -2.253 11.160 0.037 1.00 1.40 H new ATOM 0 HD3 PRO A 63 -3.605 11.879 0.889 1.00 1.40 H new ATOM 1009 N GLY A 64 -4.909 7.520 -1.904 1.00 1.83 N ATOM 1010 CA GLY A 64 -4.460 6.319 -2.669 1.00 2.23 C ATOM 1011 C GLY A 64 -5.052 5.058 -2.038 1.00 1.81 C ATOM 1012 O GLY A 64 -5.729 4.287 -2.693 1.00 1.86 O ATOM 0 H GLY A 64 -5.647 7.346 -1.222 1.00 1.83 H new ATOM 0 HA2 GLY A 64 -4.775 6.399 -3.709 1.00 2.23 H new ATOM 0 HA3 GLY A 64 -3.372 6.261 -2.669 1.00 2.23 H new ATOM 1016 N VAL A 65 -4.798 4.842 -0.773 1.00 1.77 N ATOM 1017 CA VAL A 65 -5.344 3.624 -0.090 1.00 1.73 C ATOM 1018 C VAL A 65 -6.574 4.031 0.728 1.00 1.70 C ATOM 1019 O VAL A 65 -6.870 5.202 0.875 1.00 2.14 O ATOM 1020 CB VAL A 65 -4.293 2.971 0.851 1.00 2.09 C ATOM 1021 CG1 VAL A 65 -4.192 1.475 0.539 1.00 2.10 C ATOM 1022 CG2 VAL A 65 -2.902 3.601 0.676 1.00 2.44 C ATOM 0 H VAL A 65 -4.237 5.454 -0.181 1.00 1.77 H new ATOM 0 HA VAL A 65 -5.609 2.891 -0.852 1.00 1.73 H new ATOM 0 HB VAL A 65 -4.621 3.134 1.878 1.00 2.09 H new ATOM 0 HG11 VAL A 65 -3.455 1.015 1.198 1.00 2.10 H new ATOM 0 HG12 VAL A 65 -5.163 1.004 0.695 1.00 2.10 H new ATOM 0 HG13 VAL A 65 -3.886 1.340 -0.498 1.00 2.10 H new ATOM 0 HG21 VAL A 65 -2.196 3.117 1.351 1.00 2.44 H new ATOM 0 HG22 VAL A 65 -2.569 3.468 -0.353 1.00 2.44 H new ATOM 0 HG23 VAL A 65 -2.953 4.665 0.906 1.00 2.44 H new ATOM 1032 N GLY A 66 -7.290 3.073 1.260 1.00 1.94 N ATOM 1033 CA GLY A 66 -8.501 3.397 2.069 1.00 2.17 C ATOM 1034 C GLY A 66 -9.209 2.103 2.473 1.00 2.08 C ATOM 1035 O GLY A 66 -9.398 1.829 3.643 1.00 3.30 O ATOM 0 H GLY A 66 -7.086 2.078 1.168 1.00 1.94 H new ATOM 0 HA2 GLY A 66 -8.217 3.961 2.958 1.00 2.17 H new ATOM 0 HA3 GLY A 66 -9.177 4.029 1.493 1.00 2.17 H new ATOM 1039 N THR A 67 -9.600 1.306 1.510 1.00 1.42 N ATOM 1040 CA THR A 67 -10.296 0.026 1.829 1.00 1.77 C ATOM 1041 C THR A 67 -9.574 -1.131 1.134 1.00 1.46 C ATOM 1042 O THR A 67 -8.702 -0.921 0.316 1.00 2.52 O ATOM 1043 CB THR A 67 -11.743 0.095 1.333 1.00 2.47 C ATOM 1044 OG1 THR A 67 -11.769 0.669 0.034 1.00 2.68 O ATOM 1045 CG2 THR A 67 -12.572 0.954 2.289 1.00 3.31 C ATOM 0 H THR A 67 -9.466 1.489 0.515 1.00 1.42 H new ATOM 0 HA THR A 67 -10.289 -0.134 2.907 1.00 1.77 H new ATOM 0 HB THR A 67 -12.163 -0.910 1.295 1.00 2.47 H new ATOM 0 HG1 THR A 67 -12.694 0.712 -0.286 1.00 2.68 H new ATOM 0 HG21 THR A 67 -13.602 1.002 1.935 1.00 3.31 H new ATOM 0 HG22 THR A 67 -12.551 0.513 3.285 1.00 3.31 H new ATOM 0 HG23 THR A 67 -12.155 1.960 2.329 1.00 3.31 H new ATOM 1053 N LYS A 68 -9.935 -2.346 1.462 1.00 1.71 N ATOM 1054 CA LYS A 68 -9.281 -3.537 0.833 1.00 1.39 C ATOM 1055 C LYS A 68 -7.770 -3.523 1.128 1.00 1.22 C ATOM 1056 O LYS A 68 -7.329 -4.085 2.114 1.00 1.21 O ATOM 1057 CB LYS A 68 -9.536 -3.528 -0.680 1.00 1.32 C ATOM 1058 CG LYS A 68 -11.008 -3.854 -0.954 1.00 1.85 C ATOM 1059 CD LYS A 68 -11.118 -4.730 -2.204 1.00 2.42 C ATOM 1060 CE LYS A 68 -10.728 -3.913 -3.437 1.00 3.85 C ATOM 1061 NZ LYS A 68 -10.768 -4.786 -4.644 1.00 5.11 N ATOM 0 H LYS A 68 -10.661 -2.567 2.144 1.00 1.71 H new ATOM 0 HA LYS A 68 -9.706 -4.448 1.254 1.00 1.39 H new ATOM 0 HB2 LYS A 68 -9.286 -2.552 -1.096 1.00 1.32 H new ATOM 0 HB3 LYS A 68 -8.893 -4.258 -1.172 1.00 1.32 H new ATOM 0 HG2 LYS A 68 -11.442 -4.370 -0.097 1.00 1.85 H new ATOM 0 HG3 LYS A 68 -11.575 -2.933 -1.092 1.00 1.85 H new ATOM 0 HD2 LYS A 68 -10.467 -5.599 -2.110 1.00 2.42 H new ATOM 0 HD3 LYS A 68 -12.136 -5.104 -2.310 1.00 2.42 H new ATOM 0 HE2 LYS A 68 -11.411 -3.072 -3.560 1.00 3.85 H new ATOM 0 HE3 LYS A 68 -9.729 -3.496 -3.309 1.00 3.85 H new ATOM 0 HZ1 LYS A 68 -10.503 -4.231 -5.483 1.00 5.11 H new ATOM 0 HZ2 LYS A 68 -10.100 -5.574 -4.525 1.00 5.11 H new ATOM 0 HZ3 LYS A 68 -11.729 -5.163 -4.768 1.00 5.11 H new ATOM 1075 N ILE A 69 -6.972 -2.891 0.294 1.00 1.28 N ATOM 1076 CA ILE A 69 -5.500 -2.855 0.542 1.00 1.16 C ATOM 1077 C ILE A 69 -5.220 -2.143 1.871 1.00 0.97 C ATOM 1078 O ILE A 69 -4.209 -2.381 2.504 1.00 0.91 O ATOM 1079 CB ILE A 69 -4.801 -2.102 -0.596 1.00 1.24 C ATOM 1080 CG1 ILE A 69 -5.129 -2.771 -1.932 1.00 1.53 C ATOM 1081 CG2 ILE A 69 -3.285 -2.130 -0.382 1.00 1.27 C ATOM 1082 CD1 ILE A 69 -4.583 -1.914 -3.074 1.00 1.91 C ATOM 0 H ILE A 69 -7.281 -2.401 -0.545 1.00 1.28 H new ATOM 0 HA ILE A 69 -5.119 -3.875 0.588 1.00 1.16 H new ATOM 0 HB ILE A 69 -5.150 -1.069 -0.605 1.00 1.24 H new ATOM 0 HG12 ILE A 69 -4.691 -3.769 -1.969 1.00 1.53 H new ATOM 0 HG13 ILE A 69 -6.207 -2.892 -2.036 1.00 1.53 H new ATOM 0 HG21 ILE A 69 -2.793 -1.594 -1.193 1.00 1.27 H new ATOM 0 HG22 ILE A 69 -3.043 -1.653 0.568 1.00 1.27 H new ATOM 0 HG23 ILE A 69 -2.939 -3.163 -0.368 1.00 1.27 H new ATOM 0 HD11 ILE A 69 -4.815 -2.388 -4.028 1.00 1.91 H new ATOM 0 HD12 ILE A 69 -5.042 -0.926 -3.039 1.00 1.91 H new ATOM 0 HD13 ILE A 69 -3.502 -1.816 -2.971 1.00 1.91 H new ATOM 1094 N ALA A 70 -6.103 -1.271 2.298 1.00 0.97 N ATOM 1095 CA ALA A 70 -5.887 -0.540 3.586 1.00 0.91 C ATOM 1096 C ALA A 70 -5.711 -1.544 4.728 1.00 0.83 C ATOM 1097 O ALA A 70 -4.935 -1.329 5.640 1.00 0.79 O ATOM 1098 CB ALA A 70 -7.093 0.355 3.873 1.00 1.10 C ATOM 0 H ALA A 70 -6.966 -1.034 1.808 1.00 0.97 H new ATOM 0 HA ALA A 70 -4.989 0.073 3.506 1.00 0.91 H new ATOM 0 HB1 ALA A 70 -6.936 0.887 4.811 1.00 1.10 H new ATOM 0 HB2 ALA A 70 -7.213 1.074 3.063 1.00 1.10 H new ATOM 0 HB3 ALA A 70 -7.991 -0.258 3.950 1.00 1.10 H new ATOM 1104 N GLU A 71 -6.420 -2.644 4.677 1.00 0.91 N ATOM 1105 CA GLU A 71 -6.290 -3.672 5.749 1.00 0.96 C ATOM 1106 C GLU A 71 -4.875 -4.250 5.710 1.00 0.93 C ATOM 1107 O GLU A 71 -4.285 -4.544 6.732 1.00 0.95 O ATOM 1108 CB GLU A 71 -7.307 -4.791 5.514 1.00 1.14 C ATOM 1109 CG GLU A 71 -8.718 -4.267 5.789 1.00 1.77 C ATOM 1110 CD GLU A 71 -9.735 -5.379 5.526 1.00 2.23 C ATOM 1111 OE1 GLU A 71 -9.753 -6.331 6.289 1.00 2.83 O ATOM 1112 OE2 GLU A 71 -10.479 -5.259 4.567 1.00 3.13 O ATOM 0 H GLU A 71 -7.084 -2.873 3.937 1.00 0.91 H new ATOM 0 HA GLU A 71 -6.478 -3.217 6.722 1.00 0.96 H new ATOM 0 HB2 GLU A 71 -7.236 -5.152 4.488 1.00 1.14 H new ATOM 0 HB3 GLU A 71 -7.089 -5.637 6.165 1.00 1.14 H new ATOM 0 HG2 GLU A 71 -8.796 -3.925 6.821 1.00 1.77 H new ATOM 0 HG3 GLU A 71 -8.929 -3.408 5.152 1.00 1.77 H new ATOM 1119 N LYS A 72 -4.326 -4.405 4.530 1.00 0.95 N ATOM 1120 CA LYS A 72 -2.945 -4.954 4.406 1.00 0.99 C ATOM 1121 C LYS A 72 -1.951 -3.954 4.997 1.00 0.88 C ATOM 1122 O LYS A 72 -0.924 -4.330 5.531 1.00 0.89 O ATOM 1123 CB LYS A 72 -2.620 -5.188 2.929 1.00 1.09 C ATOM 1124 CG LYS A 72 -3.649 -6.145 2.324 1.00 1.66 C ATOM 1125 CD LYS A 72 -3.426 -6.250 0.815 1.00 1.57 C ATOM 1126 CE LYS A 72 -2.431 -7.374 0.523 1.00 1.79 C ATOM 1127 NZ LYS A 72 -2.550 -7.784 -0.905 1.00 2.65 N ATOM 0 H LYS A 72 -4.779 -4.173 3.646 1.00 0.95 H new ATOM 0 HA LYS A 72 -2.876 -5.899 4.945 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -2.628 -4.241 2.390 1.00 1.09 H new ATOM 0 HB3 LYS A 72 -1.618 -5.604 2.828 1.00 1.09 H new ATOM 0 HG2 LYS A 72 -3.560 -7.129 2.784 1.00 1.66 H new ATOM 0 HG3 LYS A 72 -4.658 -5.787 2.529 1.00 1.66 H new ATOM 0 HD2 LYS A 72 -4.372 -6.447 0.310 1.00 1.57 H new ATOM 0 HD3 LYS A 72 -3.047 -5.305 0.426 1.00 1.57 H new ATOM 0 HE2 LYS A 72 -1.415 -7.039 0.733 1.00 1.79 H new ATOM 0 HE3 LYS A 72 -2.626 -8.226 1.175 1.00 1.79 H new ATOM 0 HZ1 LYS A 72 -1.874 -8.548 -1.104 1.00 2.65 H new ATOM 0 HZ2 LYS A 72 -3.517 -8.120 -1.090 1.00 2.65 H new ATOM 0 HZ3 LYS A 72 -2.343 -6.970 -1.518 1.00 2.65 H new ATOM 1141 N ILE A 73 -2.254 -2.682 4.911 1.00 0.87 N ATOM 1142 CA ILE A 73 -1.335 -1.647 5.474 1.00 0.84 C ATOM 1143 C ILE A 73 -1.246 -1.843 6.989 1.00 0.83 C ATOM 1144 O ILE A 73 -0.171 -1.873 7.564 1.00 0.83 O ATOM 1145 CB ILE A 73 -1.885 -0.247 5.167 1.00 0.93 C ATOM 1146 CG1 ILE A 73 -2.118 -0.091 3.654 1.00 1.08 C ATOM 1147 CG2 ILE A 73 -0.887 0.814 5.642 1.00 0.97 C ATOM 1148 CD1 ILE A 73 -0.805 -0.293 2.885 1.00 1.06 C ATOM 0 H ILE A 73 -3.100 -2.316 4.474 1.00 0.87 H new ATOM 0 HA ILE A 73 -0.346 -1.746 5.027 1.00 0.84 H new ATOM 0 HB ILE A 73 -2.833 -0.117 5.690 1.00 0.93 H new ATOM 0 HG12 ILE A 73 -2.859 -0.816 3.317 1.00 1.08 H new ATOM 0 HG13 ILE A 73 -2.522 0.899 3.442 1.00 1.08 H new ATOM 0 HG21 ILE A 73 -1.280 1.807 5.423 1.00 0.97 H new ATOM 0 HG22 ILE A 73 -0.733 0.714 6.716 1.00 0.97 H new ATOM 0 HG23 ILE A 73 0.063 0.677 5.125 1.00 0.97 H new ATOM 0 HD11 ILE A 73 -0.988 -0.179 1.817 1.00 1.06 H new ATOM 0 HD12 ILE A 73 -0.076 0.449 3.209 1.00 1.06 H new ATOM 0 HD13 ILE A 73 -0.418 -1.293 3.082 1.00 1.06 H new ATOM 1160 N ASP A 74 -2.374 -1.990 7.636 1.00 0.92 N ATOM 1161 CA ASP A 74 -2.378 -2.203 9.111 1.00 1.01 C ATOM 1162 C ASP A 74 -1.739 -3.559 9.425 1.00 1.07 C ATOM 1163 O ASP A 74 -1.189 -3.760 10.491 1.00 1.17 O ATOM 1164 CB ASP A 74 -3.818 -2.182 9.627 1.00 1.07 C ATOM 1165 CG ASP A 74 -3.839 -1.650 11.061 1.00 1.73 C ATOM 1166 OD1 ASP A 74 -3.481 -2.399 11.956 1.00 2.69 O ATOM 1167 OD2 ASP A 74 -4.210 -0.502 11.240 1.00 2.47 O ATOM 0 H ASP A 74 -3.297 -1.971 7.201 1.00 0.92 H new ATOM 0 HA ASP A 74 -1.811 -1.410 9.598 1.00 1.01 H new ATOM 0 HB2 ASP A 74 -4.436 -1.554 8.986 1.00 1.07 H new ATOM 0 HB3 ASP A 74 -4.242 -3.186 9.594 1.00 1.07 H new ATOM 1172 N GLU A 75 -1.803 -4.491 8.501 1.00 1.07 N ATOM 1173 CA GLU A 75 -1.195 -5.836 8.738 1.00 1.20 C ATOM 1174 C GLU A 75 0.306 -5.673 8.982 1.00 1.26 C ATOM 1175 O GLU A 75 0.880 -6.321 9.837 1.00 1.40 O ATOM 1176 CB GLU A 75 -1.421 -6.721 7.510 1.00 1.23 C ATOM 1177 CG GLU A 75 -1.201 -8.187 7.890 1.00 1.53 C ATOM 1178 CD GLU A 75 -2.515 -8.787 8.395 1.00 2.53 C ATOM 1179 OE1 GLU A 75 -3.102 -8.203 9.292 1.00 3.96 O ATOM 1180 OE2 GLU A 75 -2.911 -9.817 7.879 1.00 2.92 O ATOM 0 H GLU A 75 -2.252 -4.375 7.592 1.00 1.07 H new ATOM 0 HA GLU A 75 -1.659 -6.301 9.608 1.00 1.20 H new ATOM 0 HB2 GLU A 75 -2.433 -6.581 7.129 1.00 1.23 H new ATOM 0 HB3 GLU A 75 -0.737 -6.435 6.711 1.00 1.23 H new ATOM 0 HG2 GLU A 75 -0.841 -8.747 7.027 1.00 1.53 H new ATOM 0 HG3 GLU A 75 -0.434 -8.263 8.661 1.00 1.53 H new ATOM 1187 N PHE A 76 0.940 -4.801 8.240 1.00 1.20 N ATOM 1188 CA PHE A 76 2.403 -4.570 8.426 1.00 1.30 C ATOM 1189 C PHE A 76 2.643 -4.010 9.819 1.00 1.35 C ATOM 1190 O PHE A 76 3.469 -4.496 10.568 1.00 1.47 O ATOM 1191 CB PHE A 76 2.909 -3.557 7.393 1.00 1.47 C ATOM 1192 CG PHE A 76 2.463 -3.954 6.004 1.00 1.22 C ATOM 1193 CD1 PHE A 76 2.703 -5.250 5.531 1.00 2.21 C ATOM 1194 CD2 PHE A 76 1.812 -3.021 5.189 1.00 2.12 C ATOM 1195 CE1 PHE A 76 2.292 -5.611 4.243 1.00 2.54 C ATOM 1196 CE2 PHE A 76 1.400 -3.382 3.901 1.00 2.14 C ATOM 1197 CZ PHE A 76 1.640 -4.677 3.427 1.00 1.77 C ATOM 0 H PHE A 76 0.504 -4.237 7.510 1.00 1.20 H new ATOM 0 HA PHE A 76 2.934 -5.513 8.299 1.00 1.30 H new ATOM 0 HB2 PHE A 76 2.531 -2.563 7.633 1.00 1.47 H new ATOM 0 HB3 PHE A 76 3.997 -3.502 7.431 1.00 1.47 H new ATOM 0 HD1 PHE A 76 3.205 -5.970 6.160 1.00 2.21 H new ATOM 0 HD2 PHE A 76 1.627 -2.022 5.554 1.00 2.12 H new ATOM 0 HE1 PHE A 76 2.477 -6.610 3.878 1.00 2.54 H new ATOM 0 HE2 PHE A 76 0.897 -2.662 3.273 1.00 2.14 H new ATOM 0 HZ PHE A 76 1.323 -4.956 2.433 1.00 1.77 H new ATOM 1207 N LEU A 77 1.937 -2.970 10.152 1.00 1.33 N ATOM 1208 CA LEU A 77 2.114 -2.325 11.483 1.00 1.47 C ATOM 1209 C LEU A 77 1.114 -2.896 12.495 1.00 1.54 C ATOM 1210 O LEU A 77 0.767 -2.244 13.463 1.00 1.85 O ATOM 1211 CB LEU A 77 1.905 -0.814 11.329 1.00 1.53 C ATOM 1212 CG LEU A 77 2.721 -0.294 10.128 1.00 1.35 C ATOM 1213 CD1 LEU A 77 1.875 0.687 9.313 1.00 2.04 C ATOM 1214 CD2 LEU A 77 3.987 0.396 10.629 1.00 2.50 C ATOM 0 H LEU A 77 1.236 -2.533 9.553 1.00 1.33 H new ATOM 0 HA LEU A 77 3.120 -2.525 11.853 1.00 1.47 H new ATOM 0 HB2 LEU A 77 0.847 -0.597 11.183 1.00 1.53 H new ATOM 0 HB3 LEU A 77 2.213 -0.300 12.240 1.00 1.53 H new ATOM 0 HG LEU A 77 3.001 -1.133 9.491 1.00 1.35 H new ATOM 0 HD11 LEU A 77 2.456 1.052 8.466 1.00 2.04 H new ATOM 0 HD12 LEU A 77 0.981 0.181 8.949 1.00 2.04 H new ATOM 0 HD13 LEU A 77 1.585 1.528 9.943 1.00 2.04 H new ATOM 0 HD21 LEU A 77 4.562 0.763 9.779 1.00 2.50 H new ATOM 0 HD22 LEU A 77 3.715 1.233 11.271 1.00 2.50 H new ATOM 0 HD23 LEU A 77 4.589 -0.315 11.195 1.00 2.50 H new ATOM 1226 N ALA A 78 0.649 -4.103 12.284 1.00 1.38 N ATOM 1227 CA ALA A 78 -0.329 -4.710 13.234 1.00 1.48 C ATOM 1228 C ALA A 78 0.426 -5.390 14.378 1.00 1.88 C ATOM 1229 O ALA A 78 0.060 -5.268 15.532 1.00 2.35 O ATOM 1230 CB ALA A 78 -1.179 -5.748 12.498 1.00 1.31 C ATOM 0 H ALA A 78 0.906 -4.693 11.493 1.00 1.38 H new ATOM 0 HA ALA A 78 -0.975 -3.930 13.637 1.00 1.48 H new ATOM 0 HB1 ALA A 78 -1.893 -6.191 13.192 1.00 1.31 H new ATOM 0 HB2 ALA A 78 -1.717 -5.265 11.682 1.00 1.31 H new ATOM 0 HB3 ALA A 78 -0.533 -6.528 12.095 1.00 1.31 H new ATOM 1236 N THR A 79 1.475 -6.107 14.065 1.00 1.90 N ATOM 1237 CA THR A 79 2.260 -6.801 15.128 1.00 2.39 C ATOM 1238 C THR A 79 3.669 -6.208 15.192 1.00 2.91 C ATOM 1239 O THR A 79 4.638 -6.913 15.407 1.00 3.23 O ATOM 1240 CB THR A 79 2.345 -8.294 14.805 1.00 2.47 C ATOM 1241 OG1 THR A 79 2.899 -8.464 13.508 1.00 2.81 O ATOM 1242 CG2 THR A 79 0.946 -8.908 14.849 1.00 3.47 C ATOM 0 H THR A 79 1.822 -6.242 13.115 1.00 1.90 H new ATOM 0 HA THR A 79 1.768 -6.666 16.091 1.00 2.39 H new ATOM 0 HB THR A 79 2.979 -8.790 15.540 1.00 2.47 H new ATOM 0 HG1 THR A 79 2.956 -9.420 13.299 1.00 2.81 H new ATOM 0 HG21 THR A 79 1.008 -9.972 14.619 1.00 3.47 H new ATOM 0 HG22 THR A 79 0.522 -8.776 15.845 1.00 3.47 H new ATOM 0 HG23 THR A 79 0.309 -8.414 14.115 1.00 3.47 H new ATOM 1250 N GLY A 80 3.787 -4.918 15.006 1.00 3.71 N ATOM 1251 CA GLY A 80 5.130 -4.268 15.054 1.00 4.72 C ATOM 1252 C GLY A 80 5.437 -3.837 16.489 1.00 6.03 C ATOM 1253 O GLY A 80 6.572 -3.880 16.929 1.00 6.68 O ATOM 0 H GLY A 80 3.008 -4.286 14.822 1.00 3.71 H new ATOM 0 HA2 GLY A 80 5.894 -4.960 14.700 1.00 4.72 H new ATOM 0 HA3 GLY A 80 5.151 -3.403 14.391 1.00 4.72 H new ATOM 1257 N LYS A 81 4.434 -3.421 17.218 1.00 6.77 N ATOM 1258 CA LYS A 81 4.655 -2.983 18.627 1.00 8.34 C ATOM 1259 C LYS A 81 3.555 -3.561 19.520 1.00 9.21 C ATOM 1260 O LYS A 81 2.380 -3.362 19.276 1.00 9.68 O ATOM 1261 CB LYS A 81 4.618 -1.455 18.699 1.00 9.19 C ATOM 1262 CG LYS A 81 5.108 -0.996 20.075 1.00 10.08 C ATOM 1263 CD LYS A 81 6.606 -0.698 20.011 1.00 10.76 C ATOM 1264 CE LYS A 81 6.821 0.777 19.663 1.00 11.72 C ATOM 1265 NZ LYS A 81 8.144 1.222 20.181 1.00 12.73 N ATOM 0 H LYS A 81 3.468 -3.366 16.896 1.00 6.77 H new ATOM 0 HA LYS A 81 5.626 -3.340 18.969 1.00 8.34 H new ATOM 0 HB2 LYS A 81 5.246 -1.028 17.917 1.00 9.19 H new ATOM 0 HB3 LYS A 81 3.604 -1.097 18.524 1.00 9.19 H new ATOM 0 HG2 LYS A 81 4.563 -0.106 20.388 1.00 10.08 H new ATOM 0 HG3 LYS A 81 4.912 -1.768 20.819 1.00 10.08 H new ATOM 0 HD2 LYS A 81 7.074 -0.928 20.968 1.00 10.76 H new ATOM 0 HD3 LYS A 81 7.082 -1.332 19.263 1.00 10.76 H new ATOM 0 HE2 LYS A 81 6.776 0.917 18.583 1.00 11.72 H new ATOM 0 HE3 LYS A 81 6.026 1.384 20.097 1.00 11.72 H new ATOM 0 HZ1 LYS A 81 8.290 2.224 19.945 1.00 12.73 H new ATOM 0 HZ2 LYS A 81 8.171 1.102 21.214 1.00 12.73 H new ATOM 0 HZ3 LYS A 81 8.897 0.651 19.747 1.00 12.73 H new ATOM 1279 N LEU A 82 3.930 -4.278 20.549 1.00 9.80 N ATOM 1280 CA LEU A 82 2.914 -4.874 21.464 1.00 10.95 C ATOM 1281 C LEU A 82 2.504 -3.841 22.516 1.00 12.64 C ATOM 1282 O LEU A 82 3.114 -2.795 22.639 1.00 13.26 O ATOM 1283 CB LEU A 82 3.510 -6.100 22.159 1.00 11.11 C ATOM 1284 CG LEU A 82 3.496 -7.289 21.198 1.00 10.29 C ATOM 1285 CD1 LEU A 82 4.692 -7.195 20.250 1.00 10.08 C ATOM 1286 CD2 LEU A 82 3.581 -8.591 21.998 1.00 10.82 C ATOM 0 H LEU A 82 4.900 -4.476 20.794 1.00 9.80 H new ATOM 0 HA LEU A 82 2.038 -5.172 20.888 1.00 10.95 H new ATOM 0 HB2 LEU A 82 4.531 -5.889 22.479 1.00 11.11 H new ATOM 0 HB3 LEU A 82 2.937 -6.337 23.056 1.00 11.11 H new ATOM 0 HG LEU A 82 2.573 -7.276 20.619 1.00 10.29 H new ATOM 0 HD11 LEU A 82 4.681 -8.043 19.565 1.00 10.08 H new ATOM 0 HD12 LEU A 82 4.633 -6.268 19.680 1.00 10.08 H new ATOM 0 HD13 LEU A 82 5.616 -7.207 20.828 1.00 10.08 H new ATOM 0 HD21 LEU A 82 3.571 -9.440 21.314 1.00 10.82 H new ATOM 0 HD22 LEU A 82 4.504 -8.603 22.577 1.00 10.82 H new ATOM 0 HD23 LEU A 82 2.728 -8.659 22.673 1.00 10.82 H new ATOM 1298 N ARG A 83 1.475 -4.128 23.272 1.00 13.64 N ATOM 1299 CA ARG A 83 1.017 -3.170 24.320 1.00 15.45 C ATOM 1300 C ARG A 83 0.976 -3.877 25.676 1.00 16.41 C ATOM 1301 O ARG A 83 0.112 -3.618 26.493 1.00 17.51 O ATOM 1302 CB ARG A 83 -0.382 -2.657 23.969 1.00 16.23 C ATOM 1303 CG ARG A 83 -1.319 -3.845 23.726 1.00 16.08 C ATOM 1304 CD ARG A 83 -2.726 -3.514 24.239 1.00 17.36 C ATOM 1305 NE ARG A 83 -2.992 -4.258 25.519 1.00 18.09 N ATOM 1306 CZ ARG A 83 -2.843 -5.563 25.620 1.00 17.93 C ATOM 1307 NH1 ARG A 83 -2.641 -6.314 24.564 1.00 17.16 N ATOM 1308 NH2 ARG A 83 -2.957 -6.128 26.790 1.00 18.83 N ATOM 0 H ARG A 83 0.931 -4.988 23.207 1.00 13.64 H new ATOM 0 HA ARG A 83 1.709 -2.330 24.370 1.00 15.45 H new ATOM 0 HB2 ARG A 83 -0.767 -2.037 24.779 1.00 16.23 H new ATOM 0 HB3 ARG A 83 -0.337 -2.028 23.080 1.00 16.23 H new ATOM 0 HG2 ARG A 83 -1.356 -4.078 22.662 1.00 16.08 H new ATOM 0 HG3 ARG A 83 -0.937 -4.731 24.233 1.00 16.08 H new ATOM 0 HD2 ARG A 83 -2.819 -2.441 24.406 1.00 17.36 H new ATOM 0 HD3 ARG A 83 -3.469 -3.785 23.489 1.00 17.36 H new ATOM 0 HE ARG A 83 -3.299 -3.733 26.338 1.00 18.09 H new ATOM 0 HH11 ARG A 83 -2.596 -5.890 23.637 1.00 17.16 H new ATOM 0 HH12 ARG A 83 -2.529 -7.322 24.669 1.00 17.16 H new ATOM 0 HH21 ARG A 83 -3.159 -5.560 27.613 1.00 18.83 H new ATOM 0 HH22 ARG A 83 -2.844 -7.138 26.882 1.00 18.83 H new ATOM 1322 N LYS A 84 1.902 -4.770 25.917 1.00 16.25 N ATOM 1323 CA LYS A 84 1.926 -5.501 27.219 1.00 17.38 C ATOM 1324 C LYS A 84 2.661 -4.658 28.263 1.00 18.63 C ATOM 1325 O LYS A 84 3.816 -4.314 28.092 1.00 18.60 O ATOM 1326 CB LYS A 84 2.649 -6.837 27.040 1.00 16.98 C ATOM 1327 CG LYS A 84 2.034 -7.880 27.974 1.00 17.67 C ATOM 1328 CD LYS A 84 3.089 -8.927 28.336 1.00 17.79 C ATOM 1329 CE LYS A 84 2.457 -10.007 29.216 1.00 18.70 C ATOM 1330 NZ LYS A 84 1.839 -11.052 28.352 1.00 18.53 N ATOM 0 H LYS A 84 2.645 -5.025 25.266 1.00 16.25 H new ATOM 0 HA LYS A 84 0.905 -5.683 27.553 1.00 17.38 H new ATOM 0 HB2 LYS A 84 2.570 -7.169 26.005 1.00 16.98 H new ATOM 0 HB3 LYS A 84 3.711 -6.720 27.257 1.00 16.98 H new ATOM 0 HG2 LYS A 84 1.659 -7.399 28.877 1.00 17.67 H new ATOM 0 HG3 LYS A 84 1.182 -8.359 27.491 1.00 17.67 H new ATOM 0 HD2 LYS A 84 3.498 -9.375 27.430 1.00 17.79 H new ATOM 0 HD3 LYS A 84 3.919 -8.455 28.861 1.00 17.79 H new ATOM 0 HE2 LYS A 84 3.213 -10.454 29.861 1.00 18.70 H new ATOM 0 HE3 LYS A 84 1.703 -9.565 29.867 1.00 18.70 H new ATOM 0 HZ1 LYS A 84 1.409 -11.787 28.949 1.00 18.53 H new ATOM 0 HZ2 LYS A 84 1.106 -10.619 27.754 1.00 18.53 H new ATOM 0 HZ3 LYS A 84 2.570 -11.480 27.749 1.00 18.53 H new ATOM 1344 N LEU A 85 1.999 -4.325 29.342 1.00 19.95 N ATOM 1345 CA LEU A 85 2.652 -3.505 30.405 1.00 21.38 C ATOM 1346 C LEU A 85 3.301 -4.430 31.436 1.00 22.11 C ATOM 1347 O LEU A 85 2.625 -5.107 32.187 1.00 22.72 O ATOM 1348 CB LEU A 85 1.600 -2.632 31.093 1.00 22.60 C ATOM 1349 CG LEU A 85 1.357 -1.374 30.259 1.00 22.70 C ATOM 1350 CD1 LEU A 85 -0.094 -0.920 30.429 1.00 23.55 C ATOM 1351 CD2 LEU A 85 2.296 -0.261 30.730 1.00 23.61 C ATOM 0 H LEU A 85 1.032 -4.587 29.532 1.00 19.95 H new ATOM 0 HA LEU A 85 3.415 -2.869 29.957 1.00 21.38 H new ATOM 0 HB2 LEU A 85 0.670 -3.189 31.210 1.00 22.60 H new ATOM 0 HB3 LEU A 85 1.936 -2.359 32.093 1.00 22.60 H new ATOM 0 HG LEU A 85 1.549 -1.593 29.209 1.00 22.70 H new ATOM 0 HD11 LEU A 85 -0.267 -0.023 29.834 1.00 23.55 H new ATOM 0 HD12 LEU A 85 -0.764 -1.712 30.095 1.00 23.55 H new ATOM 0 HD13 LEU A 85 -0.286 -0.701 31.479 1.00 23.55 H new ATOM 0 HD21 LEU A 85 2.123 0.636 30.136 1.00 23.61 H new ATOM 0 HD22 LEU A 85 2.104 -0.043 31.781 1.00 23.61 H new ATOM 0 HD23 LEU A 85 3.331 -0.582 30.610 1.00 23.61 H new ATOM 1363 N GLU A 86 4.609 -4.461 31.476 1.00 22.27 N ATOM 1364 CA GLU A 86 5.313 -5.339 32.455 1.00 23.20 C ATOM 1365 C GLU A 86 6.778 -4.909 32.564 1.00 23.77 C ATOM 1366 O GLU A 86 7.315 -4.277 31.673 1.00 23.39 O ATOM 1367 CB GLU A 86 5.241 -6.792 31.982 1.00 22.68 C ATOM 1368 CG GLU A 86 4.005 -7.464 32.582 1.00 23.07 C ATOM 1369 CD GLU A 86 4.275 -8.958 32.769 1.00 23.32 C ATOM 1370 OE1 GLU A 86 5.381 -9.296 33.159 1.00 23.74 O ATOM 1371 OE2 GLU A 86 3.372 -9.739 32.519 1.00 23.29 O ATOM 0 H GLU A 86 5.220 -3.914 30.870 1.00 22.27 H new ATOM 0 HA GLU A 86 4.835 -5.251 33.431 1.00 23.20 H new ATOM 0 HB2 GLU A 86 5.196 -6.829 30.894 1.00 22.68 H new ATOM 0 HB3 GLU A 86 6.141 -7.328 32.282 1.00 22.68 H new ATOM 0 HG2 GLU A 86 3.758 -7.006 33.540 1.00 23.07 H new ATOM 0 HG3 GLU A 86 3.145 -7.318 31.928 1.00 23.07 H new ATOM 1378 N LYS A 87 7.425 -5.249 33.649 1.00 24.87 N ATOM 1379 CA LYS A 87 8.856 -4.864 33.825 1.00 25.69 C ATOM 1380 C LYS A 87 9.432 -5.588 35.044 1.00 26.72 C ATOM 1381 O LYS A 87 9.098 -5.201 36.152 1.00 27.74 O ATOM 1382 CB LYS A 87 8.954 -3.351 34.038 1.00 26.59 C ATOM 1383 CG LYS A 87 10.311 -2.851 33.538 1.00 26.79 C ATOM 1384 CD LYS A 87 10.572 -1.447 34.089 1.00 28.06 C ATOM 1385 CE LYS A 87 12.057 -1.110 33.948 1.00 28.64 C ATOM 1386 NZ LYS A 87 12.432 -0.089 34.966 1.00 30.02 N ATOM 1387 OXT LYS A 87 10.199 -6.517 34.848 1.00 26.60 O ATOM 0 H LYS A 87 7.022 -5.778 34.422 1.00 24.87 H new ATOM 0 HA LYS A 87 9.420 -5.144 32.935 1.00 25.69 H new ATOM 0 HB2 LYS A 87 8.149 -2.845 33.504 1.00 26.59 H new ATOM 0 HB3 LYS A 87 8.834 -3.114 35.095 1.00 26.59 H new ATOM 0 HG2 LYS A 87 11.101 -3.531 33.857 1.00 26.79 H new ATOM 0 HG3 LYS A 87 10.325 -2.834 32.448 1.00 26.79 H new ATOM 0 HD2 LYS A 87 9.970 -0.716 33.550 1.00 28.06 H new ATOM 0 HD3 LYS A 87 10.274 -1.395 35.136 1.00 28.06 H new ATOM 0 HE2 LYS A 87 12.659 -2.009 34.080 1.00 28.64 H new ATOM 0 HE3 LYS A 87 12.262 -0.733 32.946 1.00 28.64 H new ATOM 0 HZ1 LYS A 87 13.442 0.141 34.871 1.00 30.02 H new ATOM 0 HZ2 LYS A 87 11.866 0.771 34.820 1.00 30.02 H new ATOM 0 HZ3 LYS A 87 12.251 -0.465 35.918 1.00 30.02 H new TER 1401 LYS A 87