USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 679 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 40 LYS NZ :NH3+ 159:sc= 0.781 (180deg=0) USER MOD Set 1.2: A 55 SER OG : rot -120:sc= 0.824 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 ASN : amide:sc= -1.47 X(o=-1.5,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0788 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.064 X(o=-0.064,f=-0.035) USER MOD Single : A 18 SER OG : rot -66:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -138:sc= -1.99 (180deg=-2.83!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -8.07! C(o=-12!,f=-8.1!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 29:sc= -0.6 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -3.9! C(o=-5.1!,f=-3.9!) USER MOD Single : A 42 MET CE :methyl -173:sc= -0.364 (180deg=-0.412) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -72:sc= 0.359 USER MOD Single : A 48 ASN : amide:sc= 0.305 X(o=0.31,f=-0.077) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.4!) USER MOD Single : A 60 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.5!) USER MOD Single : A 69 MET CE :methyl 146:sc= -1.04 (180deg=-5.59!) USER MOD Single : A 71 GLN : amide:sc= -0.804 K(o=-0.8,f=-5.2!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -54:sc= 0.264 USER MOD Single : A 82 SER OG : rot 34:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.940 -24.896 -2.319 1.00 0.00 N ATOM 2 CA GLY A 1 6.617 -24.440 -1.934 1.00 0.00 C ATOM 3 C GLY A 1 5.615 -25.574 -1.851 1.00 0.00 C ATOM 4 O GLY A 1 5.839 -26.651 -2.402 1.00 0.00 O ATOM 0 H1 GLY A 1 8.593 -24.783 -1.517 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.896 -25.899 -2.592 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.281 -24.333 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.675 -23.939 -0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.266 -23.701 -2.655 1.00 0.00 H new ATOM 8 N SER A 2 4.506 -25.332 -1.158 1.00 0.00 N ATOM 9 CA SER A 2 3.468 -26.344 -1.000 1.00 0.00 C ATOM 10 C SER A 2 2.730 -26.575 -2.315 1.00 0.00 C ATOM 11 O SER A 2 2.480 -27.714 -2.708 1.00 0.00 O ATOM 12 CB SER A 2 2.478 -25.923 0.088 1.00 0.00 C ATOM 13 OG SER A 2 3.099 -25.894 1.361 1.00 0.00 O ATOM 0 H SER A 2 4.304 -24.445 -0.698 1.00 0.00 H new ATOM 0 HA SER A 2 3.946 -27.278 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.074 -24.938 -0.145 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.637 -26.616 0.106 1.00 0.00 H new ATOM 0 HG SER A 2 2.445 -25.620 2.038 1.00 0.00 H new ATOM 19 N SER A 3 2.383 -25.484 -2.990 1.00 0.00 N ATOM 20 CA SER A 3 1.669 -25.566 -4.260 1.00 0.00 C ATOM 21 C SER A 3 0.584 -26.637 -4.205 1.00 0.00 C ATOM 22 O SER A 3 0.441 -27.440 -5.126 1.00 0.00 O ATOM 23 CB SER A 3 2.645 -25.870 -5.398 1.00 0.00 C ATOM 24 OG SER A 3 3.234 -24.681 -5.896 1.00 0.00 O ATOM 0 H SER A 3 2.584 -24.533 -2.680 1.00 0.00 H new ATOM 0 HA SER A 3 1.194 -24.602 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.424 -26.544 -5.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.121 -26.385 -6.203 1.00 0.00 H new ATOM 0 HG SER A 3 3.855 -24.902 -6.621 1.00 0.00 H new ATOM 30 N GLY A 4 -0.179 -26.643 -3.116 1.00 0.00 N ATOM 31 CA GLY A 4 -1.241 -27.619 -2.960 1.00 0.00 C ATOM 32 C GLY A 4 -2.126 -27.327 -1.764 1.00 0.00 C ATOM 33 O GLY A 4 -1.895 -27.845 -0.671 1.00 0.00 O ATOM 0 H GLY A 4 -0.080 -25.989 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.850 -27.636 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.805 -28.612 -2.851 1.00 0.00 H new ATOM 37 N SER A 5 -3.140 -26.493 -1.969 1.00 0.00 N ATOM 38 CA SER A 5 -4.059 -26.128 -0.897 1.00 0.00 C ATOM 39 C SER A 5 -5.482 -25.983 -1.428 1.00 0.00 C ATOM 40 O SER A 5 -5.714 -26.032 -2.636 1.00 0.00 O ATOM 41 CB SER A 5 -3.613 -24.822 -0.237 1.00 0.00 C ATOM 42 OG SER A 5 -3.603 -23.756 -1.171 1.00 0.00 O ATOM 0 H SER A 5 -3.346 -26.057 -2.868 1.00 0.00 H new ATOM 0 HA SER A 5 -4.046 -26.925 -0.154 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.283 -24.580 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.617 -24.947 0.188 1.00 0.00 H new ATOM 0 HG SER A 5 -3.316 -22.932 -0.724 1.00 0.00 H new ATOM 48 N SER A 6 -6.432 -25.805 -0.515 1.00 0.00 N ATOM 49 CA SER A 6 -7.834 -25.657 -0.889 1.00 0.00 C ATOM 50 C SER A 6 -8.372 -24.299 -0.450 1.00 0.00 C ATOM 51 O SER A 6 -8.227 -23.905 0.706 1.00 0.00 O ATOM 52 CB SER A 6 -8.671 -26.776 -0.266 1.00 0.00 C ATOM 53 OG SER A 6 -9.840 -27.022 -1.027 1.00 0.00 O ATOM 0 H SER A 6 -6.256 -25.760 0.489 1.00 0.00 H new ATOM 0 HA SER A 6 -7.904 -25.723 -1.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.076 -27.687 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.947 -26.504 0.753 1.00 0.00 H new ATOM 0 HG SER A 6 -10.357 -27.742 -0.609 1.00 0.00 H new ATOM 59 N GLY A 7 -8.996 -23.586 -1.384 1.00 0.00 N ATOM 60 CA GLY A 7 -9.547 -22.280 -1.075 1.00 0.00 C ATOM 61 C GLY A 7 -11.063 -22.280 -1.056 1.00 0.00 C ATOM 62 O GLY A 7 -11.702 -22.982 -1.840 1.00 0.00 O ATOM 0 H GLY A 7 -9.129 -23.890 -2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.175 -21.952 -0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.196 -21.557 -1.812 1.00 0.00 H new ATOM 66 N LYS A 8 -11.642 -21.492 -0.156 1.00 0.00 N ATOM 67 CA LYS A 8 -13.092 -21.403 -0.036 1.00 0.00 C ATOM 68 C LYS A 8 -13.602 -20.072 -0.577 1.00 0.00 C ATOM 69 O LYS A 8 -12.822 -19.156 -0.840 1.00 0.00 O ATOM 70 CB LYS A 8 -13.514 -21.567 1.426 1.00 0.00 C ATOM 71 CG LYS A 8 -13.002 -20.463 2.334 1.00 0.00 C ATOM 72 CD LYS A 8 -13.614 -20.553 3.722 1.00 0.00 C ATOM 73 CE LYS A 8 -12.976 -21.663 4.542 1.00 0.00 C ATOM 74 NZ LYS A 8 -13.326 -21.558 5.986 1.00 0.00 N ATOM 0 H LYS A 8 -11.128 -20.905 0.501 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.531 -22.207 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.602 -21.595 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.151 -22.527 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.916 -20.527 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.235 -19.493 1.895 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.490 -19.601 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.686 -20.732 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.301 -22.630 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.893 -21.623 4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.872 -22.333 6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.993 -20.646 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.358 -21.622 6.099 1.00 0.00 H new ATOM 88 N LYS A 9 -14.917 -19.970 -0.741 1.00 0.00 N ATOM 89 CA LYS A 9 -15.533 -18.749 -1.248 1.00 0.00 C ATOM 90 C LYS A 9 -15.451 -17.629 -0.217 1.00 0.00 C ATOM 91 O LYS A 9 -15.986 -17.747 0.886 1.00 0.00 O ATOM 92 CB LYS A 9 -16.994 -19.008 -1.621 1.00 0.00 C ATOM 93 CG LYS A 9 -17.163 -19.836 -2.883 1.00 0.00 C ATOM 94 CD LYS A 9 -17.213 -21.322 -2.573 1.00 0.00 C ATOM 95 CE LYS A 9 -17.388 -22.150 -3.836 1.00 0.00 C ATOM 96 NZ LYS A 9 -17.509 -23.604 -3.535 1.00 0.00 N ATOM 0 H LYS A 9 -15.577 -20.719 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 9 -14.986 -18.439 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.486 -19.518 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.501 -18.052 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -18.079 -19.539 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.337 -19.633 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.295 -21.620 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -18.036 -21.524 -1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.277 -21.815 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.538 -21.986 -4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.627 -24.134 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.650 -23.930 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.335 -23.764 -2.924 1.00 0.00 H new ATOM 110 N ARG A 10 -14.779 -16.542 -0.582 1.00 0.00 N ATOM 111 CA ARG A 10 -14.628 -15.401 0.312 1.00 0.00 C ATOM 112 C ARG A 10 -14.770 -14.088 -0.453 1.00 0.00 C ATOM 113 O ARG A 10 -14.042 -13.834 -1.412 1.00 0.00 O ATOM 114 CB ARG A 10 -13.269 -15.451 1.013 1.00 0.00 C ATOM 115 CG ARG A 10 -13.210 -16.449 2.157 1.00 0.00 C ATOM 116 CD ARG A 10 -13.938 -15.930 3.387 1.00 0.00 C ATOM 117 NE ARG A 10 -15.381 -16.132 3.295 1.00 0.00 N ATOM 118 CZ ARG A 10 -16.246 -15.680 4.196 1.00 0.00 C ATOM 119 NH1 ARG A 10 -15.815 -15.003 5.252 1.00 0.00 N ATOM 120 NH2 ARG A 10 -17.545 -15.905 4.043 1.00 0.00 N ATOM 0 H ARG A 10 -14.330 -16.428 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.418 -15.452 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.502 -15.704 0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.030 -14.459 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.654 -17.393 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.170 -16.655 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.557 -16.436 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.728 -14.868 3.511 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.745 -16.649 2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.817 -14.828 5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.481 -14.657 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.880 -16.426 3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.208 -15.557 4.736 1.00 0.00 H new ATOM 134 N LYS A 11 -15.713 -13.257 -0.022 1.00 0.00 N ATOM 135 CA LYS A 11 -15.952 -11.970 -0.664 1.00 0.00 C ATOM 136 C LYS A 11 -15.947 -10.841 0.361 1.00 0.00 C ATOM 137 O LYS A 11 -16.556 -10.952 1.424 1.00 0.00 O ATOM 138 CB LYS A 11 -17.287 -11.989 -1.411 1.00 0.00 C ATOM 139 CG LYS A 11 -18.494 -12.095 -0.496 1.00 0.00 C ATOM 140 CD LYS A 11 -19.774 -12.318 -1.284 1.00 0.00 C ATOM 141 CE LYS A 11 -21.006 -12.011 -0.446 1.00 0.00 C ATOM 142 NZ LYS A 11 -21.208 -13.018 0.633 1.00 0.00 N ATOM 0 H LYS A 11 -16.325 -13.452 0.770 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.147 -11.793 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.373 -11.081 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.293 -12.829 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.349 -12.917 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -18.584 -11.184 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.770 -11.686 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.815 -13.351 -1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.907 -11.020 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.886 -11.986 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.057 -12.774 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.328 -13.961 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.380 -13.024 1.262 1.00 0.00 H new ATOM 156 N GLY A 12 -15.256 -9.753 0.033 1.00 0.00 N ATOM 157 CA GLY A 12 -15.186 -8.619 0.936 1.00 0.00 C ATOM 158 C GLY A 12 -13.862 -7.886 0.846 1.00 0.00 C ATOM 159 O GLY A 12 -13.032 -8.193 -0.010 1.00 0.00 O ATOM 0 H GLY A 12 -14.744 -9.637 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.997 -7.927 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.338 -8.963 1.959 1.00 0.00 H new ATOM 163 N ASN A 13 -13.664 -6.914 1.729 1.00 0.00 N ATOM 164 CA ASN A 13 -12.432 -6.133 1.744 1.00 0.00 C ATOM 165 C ASN A 13 -11.503 -6.604 2.860 1.00 0.00 C ATOM 166 O ASN A 13 -11.937 -7.257 3.809 1.00 0.00 O ATOM 167 CB ASN A 13 -12.747 -4.647 1.920 1.00 0.00 C ATOM 168 CG ASN A 13 -11.633 -3.755 1.408 1.00 0.00 C ATOM 169 OD1 ASN A 13 -10.730 -3.379 2.156 1.00 0.00 O ATOM 170 ND2 ASN A 13 -11.692 -3.411 0.127 1.00 0.00 N ATOM 0 H ASN A 13 -14.341 -6.648 2.444 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.927 -6.279 0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.671 -4.409 1.392 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.920 -4.438 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.970 -2.812 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.459 -3.746 -0.456 1.00 0.00 H new ATOM 177 N LEU A 14 -10.224 -6.266 2.739 1.00 0.00 N ATOM 178 CA LEU A 14 -9.234 -6.652 3.738 1.00 0.00 C ATOM 179 C LEU A 14 -9.226 -5.671 4.906 1.00 0.00 C ATOM 180 O LEU A 14 -9.543 -4.490 4.759 1.00 0.00 O ATOM 181 CB LEU A 14 -7.843 -6.720 3.105 1.00 0.00 C ATOM 182 CG LEU A 14 -7.785 -7.223 1.662 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.582 -6.637 0.940 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.742 -8.744 1.629 1.00 0.00 C ATOM 0 H LEU A 14 -9.848 -5.726 1.960 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.503 -7.637 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.401 -5.724 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.218 -7.367 3.720 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.687 -6.894 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.558 -7.006 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.656 -5.550 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.668 -6.934 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.701 -9.084 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.858 -9.095 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.636 -9.144 2.107 1.00 0.00 H new ATOM 196 N PRO A 15 -8.854 -6.169 6.094 1.00 0.00 N ATOM 197 CA PRO A 15 -8.794 -5.352 7.310 1.00 0.00 C ATOM 198 C PRO A 15 -7.658 -4.336 7.270 1.00 0.00 C ATOM 199 O PRO A 15 -6.579 -4.617 6.748 1.00 0.00 O ATOM 200 CB PRO A 15 -8.552 -6.382 8.417 1.00 0.00 C ATOM 201 CG PRO A 15 -7.889 -7.526 7.732 1.00 0.00 C ATOM 202 CD PRO A 15 -8.464 -7.567 6.343 1.00 0.00 C ATOM 0 HA PRO A 15 -9.699 -4.761 7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.921 -5.974 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.488 -6.689 8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.808 -7.390 7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.079 -8.460 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.732 -7.916 5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.319 -8.240 6.282 1.00 0.00 H new ATOM 210 N ALA A 16 -7.907 -3.155 7.826 1.00 0.00 N ATOM 211 CA ALA A 16 -6.903 -2.098 7.855 1.00 0.00 C ATOM 212 C ALA A 16 -5.545 -2.642 8.285 1.00 0.00 C ATOM 213 O ALA A 16 -4.573 -2.571 7.535 1.00 0.00 O ATOM 214 CB ALA A 16 -7.344 -0.978 8.786 1.00 0.00 C ATOM 0 H ALA A 16 -8.795 -2.906 8.262 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.802 -1.699 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.585 -0.195 8.798 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.288 -0.563 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.475 -1.373 9.794 1.00 0.00 H new ATOM 220 N GLU A 17 -5.487 -3.185 9.497 1.00 0.00 N ATOM 221 CA GLU A 17 -4.246 -3.739 10.026 1.00 0.00 C ATOM 222 C GLU A 17 -3.438 -4.415 8.922 1.00 0.00 C ATOM 223 O GLU A 17 -2.219 -4.263 8.849 1.00 0.00 O ATOM 224 CB GLU A 17 -4.545 -4.743 11.142 1.00 0.00 C ATOM 225 CG GLU A 17 -5.338 -5.953 10.676 1.00 0.00 C ATOM 226 CD GLU A 17 -5.523 -6.986 11.770 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.505 -6.874 12.532 1.00 0.00 O ATOM 228 OE2 GLU A 17 -4.684 -7.907 11.863 1.00 0.00 O ATOM 0 H GLU A 17 -6.284 -3.253 10.130 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.656 -2.918 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.604 -5.081 11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.099 -4.239 11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.315 -5.627 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.828 -6.413 9.830 1.00 0.00 H new ATOM 235 N SER A 18 -4.127 -5.162 8.065 1.00 0.00 N ATOM 236 CA SER A 18 -3.474 -5.865 6.967 1.00 0.00 C ATOM 237 C SER A 18 -3.173 -4.912 5.815 1.00 0.00 C ATOM 238 O SER A 18 -2.119 -4.995 5.183 1.00 0.00 O ATOM 239 CB SER A 18 -4.353 -7.016 6.476 1.00 0.00 C ATOM 240 OG SER A 18 -5.326 -6.556 5.553 1.00 0.00 O ATOM 0 H SER A 18 -5.137 -5.296 8.110 1.00 0.00 H new ATOM 0 HA SER A 18 -2.532 -6.270 7.336 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.731 -7.777 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.847 -7.488 7.325 1.00 0.00 H new ATOM 0 HG SER A 18 -5.954 -5.959 6.010 1.00 0.00 H new ATOM 246 N VAL A 19 -4.107 -4.005 5.546 1.00 0.00 N ATOM 247 CA VAL A 19 -3.942 -3.034 4.470 1.00 0.00 C ATOM 248 C VAL A 19 -2.654 -2.237 4.641 1.00 0.00 C ATOM 249 O VAL A 19 -1.839 -2.148 3.722 1.00 0.00 O ATOM 250 CB VAL A 19 -5.132 -2.058 4.408 1.00 0.00 C ATOM 251 CG1 VAL A 19 -4.953 -1.069 3.267 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.440 -2.822 4.263 1.00 0.00 C ATOM 0 H VAL A 19 -4.985 -3.922 6.058 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.895 -3.599 3.539 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.168 -1.496 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.803 -0.388 3.239 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.036 -0.499 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.891 -1.610 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.270 -2.117 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.417 -3.411 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.571 -3.486 5.118 1.00 0.00 H new ATOM 262 N LYS A 20 -2.476 -1.659 5.824 1.00 0.00 N ATOM 263 CA LYS A 20 -1.285 -0.869 6.118 1.00 0.00 C ATOM 264 C LYS A 20 -0.057 -1.463 5.437 1.00 0.00 C ATOM 265 O LYS A 20 0.808 -0.734 4.950 1.00 0.00 O ATOM 266 CB LYS A 20 -1.058 -0.796 7.630 1.00 0.00 C ATOM 267 CG LYS A 20 0.272 -0.172 8.015 1.00 0.00 C ATOM 268 CD LYS A 20 0.237 0.388 9.427 1.00 0.00 C ATOM 269 CE LYS A 20 1.381 1.361 9.670 1.00 0.00 C ATOM 270 NZ LYS A 20 1.054 2.732 9.190 1.00 0.00 N ATOM 0 H LYS A 20 -3.141 -1.722 6.595 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.442 0.138 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.865 -0.220 8.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.112 -1.802 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.061 -0.920 7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.518 0.624 7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.714 0.894 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.295 -0.430 10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.610 1.394 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.277 1.003 9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.858 3.365 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.861 2.705 8.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.214 3.085 9.692 1.00 0.00 H new ATOM 284 N ILE A 21 0.013 -2.790 5.404 1.00 0.00 N ATOM 285 CA ILE A 21 1.135 -3.480 4.780 1.00 0.00 C ATOM 286 C ILE A 21 1.149 -3.254 3.272 1.00 0.00 C ATOM 287 O ILE A 21 2.194 -2.963 2.687 1.00 0.00 O ATOM 288 CB ILE A 21 1.090 -4.994 5.059 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.362 -5.270 6.540 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.098 -5.724 4.185 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.110 -5.307 7.388 1.00 0.00 C ATOM 0 H ILE A 21 -0.694 -3.408 5.802 1.00 0.00 H new ATOM 0 HA ILE A 21 2.043 -3.064 5.217 1.00 0.00 H new ATOM 0 HB ILE A 21 0.094 -5.364 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.883 -6.223 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.031 -4.502 6.928 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.054 -6.793 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.863 -5.550 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.101 -5.353 4.399 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.379 -5.507 8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.401 -4.346 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.551 -6.094 7.026 1.00 0.00 H new ATOM 303 N LEU A 22 -0.016 -3.386 2.648 1.00 0.00 N ATOM 304 CA LEU A 22 -0.138 -3.194 1.207 1.00 0.00 C ATOM 305 C LEU A 22 -0.017 -1.718 0.843 1.00 0.00 C ATOM 306 O LEU A 22 0.730 -1.352 -0.066 1.00 0.00 O ATOM 307 CB LEU A 22 -1.476 -3.745 0.711 1.00 0.00 C ATOM 308 CG LEU A 22 -1.687 -5.250 0.880 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.075 -5.652 0.407 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.618 -6.026 0.123 1.00 0.00 C ATOM 0 H LEU A 22 -0.890 -3.625 3.117 1.00 0.00 H new ATOM 0 HA LEU A 22 0.674 -3.737 0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.277 -3.225 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.577 -3.501 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.603 -5.492 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.206 -6.726 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.827 -5.122 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.189 -5.396 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.783 -7.095 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.670 -5.778 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.366 -5.761 0.509 1.00 0.00 H new ATOM 322 N ARG A 23 -0.753 -0.874 1.558 1.00 0.00 N ATOM 323 CA ARG A 23 -0.727 0.562 1.310 1.00 0.00 C ATOM 324 C ARG A 23 0.699 1.099 1.377 1.00 0.00 C ATOM 325 O ARG A 23 1.228 1.609 0.389 1.00 0.00 O ATOM 326 CB ARG A 23 -1.607 1.292 2.327 1.00 0.00 C ATOM 327 CG ARG A 23 -3.076 1.336 1.940 1.00 0.00 C ATOM 328 CD ARG A 23 -3.894 2.129 2.948 1.00 0.00 C ATOM 329 NE ARG A 23 -3.463 1.878 4.321 1.00 0.00 N ATOM 330 CZ ARG A 23 -2.492 2.557 4.922 1.00 0.00 C ATOM 331 NH1 ARG A 23 -1.855 3.522 4.274 1.00 0.00 N ATOM 332 NH2 ARG A 23 -2.157 2.270 6.173 1.00 0.00 N ATOM 0 H ARG A 23 -1.375 -1.160 2.314 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.117 0.740 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.510 0.803 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.241 2.312 2.446 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.180 1.785 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.466 0.320 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.806 3.193 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.947 1.868 2.845 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.933 1.141 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.110 3.745 3.312 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.110 4.042 4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.645 1.528 6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.411 2.792 6.634 1.00 0.00 H new ATOM 346 N ASP A 24 1.316 0.982 2.548 1.00 0.00 N ATOM 347 CA ASP A 24 2.681 1.456 2.745 1.00 0.00 C ATOM 348 C ASP A 24 3.526 1.207 1.499 1.00 0.00 C ATOM 349 O ASP A 24 4.282 2.077 1.066 1.00 0.00 O ATOM 350 CB ASP A 24 3.314 0.764 3.953 1.00 0.00 C ATOM 351 CG ASP A 24 4.421 1.590 4.579 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.251 2.823 4.690 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.456 1.005 4.958 1.00 0.00 O ATOM 0 H ASP A 24 0.892 0.563 3.376 1.00 0.00 H new ATOM 0 HA ASP A 24 2.645 2.530 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.545 0.567 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.715 -0.202 3.646 1.00 0.00 H new ATOM 358 N TRP A 25 3.394 0.015 0.930 1.00 0.00 N ATOM 359 CA TRP A 25 4.147 -0.349 -0.266 1.00 0.00 C ATOM 360 C TRP A 25 3.570 0.333 -1.501 1.00 0.00 C ATOM 361 O TRP A 25 4.310 0.764 -2.385 1.00 0.00 O ATOM 362 CB TRP A 25 4.141 -1.867 -0.456 1.00 0.00 C ATOM 363 CG TRP A 25 4.717 -2.303 -1.769 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.962 -2.821 -1.986 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.071 -2.258 -3.045 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.128 -3.101 -3.321 1.00 0.00 N ATOM 367 CE2 TRP A 25 4.983 -2.765 -3.992 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.810 -1.841 -3.481 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.672 -2.863 -5.346 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.504 -1.939 -4.825 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.431 -2.447 -5.744 1.00 0.00 C ATOM 0 H TRP A 25 2.773 -0.716 1.277 1.00 0.00 H new ATOM 0 HA TRP A 25 5.175 -0.011 -0.134 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.707 -2.329 0.353 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.117 -2.232 -0.377 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.706 -2.986 -1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.968 -3.495 -3.744 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.088 -1.449 -2.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.385 -3.254 -6.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.533 -1.618 -5.173 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.161 -2.512 -6.788 1.00 0.00 H new ATOM 382 N MET A 26 2.246 0.428 -1.555 1.00 0.00 N ATOM 383 CA MET A 26 1.570 1.059 -2.683 1.00 0.00 C ATOM 384 C MET A 26 2.002 2.515 -2.829 1.00 0.00 C ATOM 385 O MET A 26 2.001 3.065 -3.931 1.00 0.00 O ATOM 386 CB MET A 26 0.053 0.981 -2.505 1.00 0.00 C ATOM 387 CG MET A 26 -0.724 1.723 -3.581 1.00 0.00 C ATOM 388 SD MET A 26 -1.116 0.680 -4.999 1.00 0.00 S ATOM 389 CE MET A 26 -2.873 0.985 -5.167 1.00 0.00 C ATOM 0 H MET A 26 1.619 0.076 -0.831 1.00 0.00 H new ATOM 0 HA MET A 26 1.850 0.522 -3.589 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.251 -0.066 -2.505 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.212 1.390 -1.530 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.649 2.111 -3.154 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.143 2.582 -3.916 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.387 0.047 -5.376 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.258 1.412 -4.241 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.044 1.683 -5.987 1.00 0.00 H new ATOM 399 N TYR A 27 2.370 3.133 -1.712 1.00 0.00 N ATOM 400 CA TYR A 27 2.802 4.526 -1.717 1.00 0.00 C ATOM 401 C TYR A 27 4.161 4.673 -2.393 1.00 0.00 C ATOM 402 O TYR A 27 4.325 5.466 -3.320 1.00 0.00 O ATOM 403 CB TYR A 27 2.870 5.065 -0.287 1.00 0.00 C ATOM 404 CG TYR A 27 3.229 6.531 -0.209 1.00 0.00 C ATOM 405 CD1 TYR A 27 2.379 7.504 -0.720 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.420 6.945 0.377 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.704 8.844 -0.651 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.752 8.283 0.452 1.00 0.00 C ATOM 409 CZ TYR A 27 3.891 9.229 -0.065 1.00 0.00 C ATOM 410 OH TYR A 27 4.218 10.564 0.007 1.00 0.00 O ATOM 0 H TYR A 27 2.378 2.692 -0.792 1.00 0.00 H new ATOM 0 HA TYR A 27 2.071 5.105 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.906 4.909 0.197 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.605 4.489 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.448 7.207 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.097 6.207 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.032 9.587 -1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.680 8.587 0.913 1.00 0.00 H new ATOM 0 HH TYR A 27 5.086 10.665 0.450 1.00 0.00 H new ATOM 420 N LYS A 28 5.136 3.902 -1.921 1.00 0.00 N ATOM 421 CA LYS A 28 6.482 3.943 -2.479 1.00 0.00 C ATOM 422 C LYS A 28 6.469 3.575 -3.960 1.00 0.00 C ATOM 423 O LYS A 28 7.172 4.184 -4.767 1.00 0.00 O ATOM 424 CB LYS A 28 7.402 2.988 -1.715 1.00 0.00 C ATOM 425 CG LYS A 28 7.788 3.491 -0.334 1.00 0.00 C ATOM 426 CD LYS A 28 8.554 2.438 0.449 1.00 0.00 C ATOM 427 CE LYS A 28 7.614 1.534 1.233 1.00 0.00 C ATOM 428 NZ LYS A 28 8.349 0.690 2.215 1.00 0.00 N ATOM 0 H LYS A 28 5.018 3.241 -1.153 1.00 0.00 H new ATOM 0 HA LYS A 28 6.859 4.961 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.907 2.022 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.308 2.824 -2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.398 4.389 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.890 3.773 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.152 1.837 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.248 2.925 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.877 2.143 1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.065 0.894 0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.674 0.088 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.035 0.091 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.852 1.301 2.890 1.00 0.00 H new ATOM 442 N HIS A 29 5.663 2.578 -4.310 1.00 0.00 N ATOM 443 CA HIS A 29 5.557 2.131 -5.695 1.00 0.00 C ATOM 444 C HIS A 29 4.340 2.752 -6.374 1.00 0.00 C ATOM 445 O HIS A 29 4.039 2.448 -7.528 1.00 0.00 O ATOM 446 CB HIS A 29 5.467 0.606 -5.756 1.00 0.00 C ATOM 447 CG HIS A 29 6.593 -0.089 -5.055 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.674 -0.607 -3.807 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.820 -0.315 -5.643 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.935 -1.133 -3.666 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.606 -0.944 -4.788 1.00 0.00 N flip ATOM 0 H HIS A 29 5.074 2.064 -3.655 1.00 0.00 H new ATOM 0 HA HIS A 29 6.452 2.456 -6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.523 0.288 -5.313 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.451 0.293 -6.800 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.936 -0.607 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.095 -0.023 -6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.316 -1.622 -2.781 1.00 0.00 H new ATOM 460 N ARG A 30 3.644 3.623 -5.650 1.00 0.00 N ATOM 461 CA ARG A 30 2.459 4.285 -6.182 1.00 0.00 C ATOM 462 C ARG A 30 2.652 4.645 -7.653 1.00 0.00 C ATOM 463 O ARG A 30 1.693 4.686 -8.424 1.00 0.00 O ATOM 464 CB ARG A 30 2.147 5.545 -5.374 1.00 0.00 C ATOM 465 CG ARG A 30 3.135 6.677 -5.603 1.00 0.00 C ATOM 466 CD ARG A 30 2.973 7.777 -4.566 1.00 0.00 C ATOM 467 NE ARG A 30 4.207 8.535 -4.375 1.00 0.00 N ATOM 468 CZ ARG A 30 4.252 9.733 -3.802 1.00 0.00 C ATOM 469 NH1 ARG A 30 3.139 10.306 -3.367 1.00 0.00 N ATOM 470 NH2 ARG A 30 5.413 10.360 -3.664 1.00 0.00 N ATOM 0 H ARG A 30 3.881 3.886 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 30 1.620 3.594 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.146 5.891 -5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.136 5.293 -4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.152 6.287 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.990 7.092 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.176 8.453 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.667 7.338 -3.617 1.00 0.00 H new ATOM 0 HE ARG A 30 5.082 8.122 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.244 9.827 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.177 11.226 -2.928 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.272 9.922 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.447 11.280 -3.224 1.00 0.00 H new ATOM 484 N PHE A 31 3.898 4.907 -8.034 1.00 0.00 N ATOM 485 CA PHE A 31 4.217 5.266 -9.411 1.00 0.00 C ATOM 486 C PHE A 31 3.406 4.426 -10.393 1.00 0.00 C ATOM 487 O PHE A 31 2.836 4.948 -11.352 1.00 0.00 O ATOM 488 CB PHE A 31 5.712 5.080 -9.676 1.00 0.00 C ATOM 489 CG PHE A 31 6.570 6.133 -9.035 1.00 0.00 C ATOM 490 CD1 PHE A 31 6.228 7.472 -9.124 1.00 0.00 C ATOM 491 CD2 PHE A 31 7.719 5.783 -8.345 1.00 0.00 C ATOM 492 CE1 PHE A 31 7.015 8.444 -8.536 1.00 0.00 C ATOM 493 CE2 PHE A 31 8.510 6.750 -7.754 1.00 0.00 C ATOM 494 CZ PHE A 31 8.159 8.082 -7.850 1.00 0.00 C ATOM 0 H PHE A 31 4.703 4.877 -7.409 1.00 0.00 H new ATOM 0 HA PHE A 31 3.958 6.315 -9.556 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.019 4.100 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.886 5.087 -10.752 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.335 7.760 -9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.000 4.743 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.737 9.485 -8.612 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.402 6.464 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.777 8.839 -7.390 1.00 0.00 H new ATOM 504 N LYS A 32 3.359 3.121 -10.148 1.00 0.00 N ATOM 505 CA LYS A 32 2.619 2.206 -11.009 1.00 0.00 C ATOM 506 C LYS A 32 1.445 1.584 -10.260 1.00 0.00 C ATOM 507 O LYS A 32 0.463 1.159 -10.868 1.00 0.00 O ATOM 508 CB LYS A 32 3.544 1.106 -11.534 1.00 0.00 C ATOM 509 CG LYS A 32 3.973 0.112 -10.469 1.00 0.00 C ATOM 510 CD LYS A 32 5.265 0.542 -9.794 1.00 0.00 C ATOM 511 CE LYS A 32 6.484 0.041 -10.552 1.00 0.00 C ATOM 512 NZ LYS A 32 7.749 0.328 -9.821 1.00 0.00 N ATOM 0 H LYS A 32 3.825 2.673 -9.359 1.00 0.00 H new ATOM 0 HA LYS A 32 2.228 2.776 -11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.038 0.570 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.432 1.566 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.185 0.015 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.107 -0.871 -10.920 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.298 1.630 -9.728 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.288 0.160 -8.773 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.394 -1.033 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.518 0.510 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.556 -0.029 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.848 1.355 -9.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.728 -0.141 -8.893 1.00 0.00 H new ATOM 526 N ALA A 33 1.554 1.534 -8.936 1.00 0.00 N ATOM 527 CA ALA A 33 0.500 0.967 -8.104 1.00 0.00 C ATOM 528 C ALA A 33 0.162 -0.455 -8.539 1.00 0.00 C ATOM 529 O ALA A 33 -1.002 -0.786 -8.763 1.00 0.00 O ATOM 530 CB ALA A 33 -0.742 1.845 -8.153 1.00 0.00 C ATOM 0 H ALA A 33 2.361 1.879 -8.417 1.00 0.00 H new ATOM 0 HA ALA A 33 0.864 0.928 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.521 1.409 -7.527 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.497 2.842 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.099 1.914 -9.181 1.00 0.00 H new ATOM 536 N TYR A 34 1.187 -1.292 -8.657 1.00 0.00 N ATOM 537 CA TYR A 34 0.999 -2.678 -9.069 1.00 0.00 C ATOM 538 C TYR A 34 2.200 -3.532 -8.673 1.00 0.00 C ATOM 539 O TYR A 34 3.266 -3.471 -9.285 1.00 0.00 O ATOM 540 CB TYR A 34 0.780 -2.758 -10.581 1.00 0.00 C ATOM 541 CG TYR A 34 -0.591 -2.294 -11.019 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.735 -2.984 -10.635 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.743 -1.166 -11.816 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.990 -2.565 -11.033 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.994 -0.739 -12.218 1.00 0.00 C ATOM 546 CZ TYR A 34 -3.114 -1.442 -11.824 1.00 0.00 C ATOM 547 OH TYR A 34 -4.361 -1.020 -12.223 1.00 0.00 O ATOM 0 H TYR A 34 2.157 -1.035 -8.473 1.00 0.00 H new ATOM 0 HA TYR A 34 0.116 -3.065 -8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.536 -2.154 -11.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.927 -3.788 -10.907 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.641 -3.863 -10.015 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.132 -0.614 -12.127 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.868 -3.113 -10.727 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.095 0.140 -12.837 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.025 -1.282 -11.552 1.00 0.00 H new ATOM 557 N PRO A 35 2.023 -4.348 -7.623 1.00 0.00 N ATOM 558 CA PRO A 35 3.080 -5.231 -7.120 1.00 0.00 C ATOM 559 C PRO A 35 3.386 -6.374 -8.082 1.00 0.00 C ATOM 560 O PRO A 35 2.551 -6.743 -8.909 1.00 0.00 O ATOM 561 CB PRO A 35 2.497 -5.774 -5.813 1.00 0.00 C ATOM 562 CG PRO A 35 1.021 -5.685 -5.991 1.00 0.00 C ATOM 563 CD PRO A 35 0.779 -4.471 -6.846 1.00 0.00 C ATOM 0 HA PRO A 35 4.026 -4.704 -6.994 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.813 -6.802 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.829 -5.186 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.631 -6.583 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.517 -5.592 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.088 -4.602 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.594 -3.584 -6.241 1.00 0.00 H new ATOM 571 N SER A 36 4.587 -6.932 -7.969 1.00 0.00 N ATOM 572 CA SER A 36 5.004 -8.031 -8.831 1.00 0.00 C ATOM 573 C SER A 36 4.763 -9.376 -8.151 1.00 0.00 C ATOM 574 O SER A 36 4.757 -9.470 -6.924 1.00 0.00 O ATOM 575 CB SER A 36 6.483 -7.889 -9.195 1.00 0.00 C ATOM 576 OG SER A 36 6.877 -8.881 -10.127 1.00 0.00 O ATOM 0 H SER A 36 5.289 -6.641 -7.288 1.00 0.00 H new ATOM 0 HA SER A 36 4.408 -7.992 -9.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.664 -6.899 -9.614 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.092 -7.970 -8.294 1.00 0.00 H new ATOM 0 HG SER A 36 7.826 -8.767 -10.344 1.00 0.00 H new ATOM 582 N GLU A 37 4.566 -10.413 -8.959 1.00 0.00 N ATOM 583 CA GLU A 37 4.324 -11.753 -8.436 1.00 0.00 C ATOM 584 C GLU A 37 5.137 -11.996 -7.167 1.00 0.00 C ATOM 585 O GLU A 37 4.715 -12.738 -6.281 1.00 0.00 O ATOM 586 CB GLU A 37 4.673 -12.806 -9.489 1.00 0.00 C ATOM 587 CG GLU A 37 3.641 -12.924 -10.597 1.00 0.00 C ATOM 588 CD GLU A 37 3.770 -14.217 -11.380 1.00 0.00 C ATOM 589 OE1 GLU A 37 4.105 -15.251 -10.764 1.00 0.00 O ATOM 590 OE2 GLU A 37 3.536 -14.194 -12.606 1.00 0.00 O ATOM 0 H GLU A 37 4.569 -10.351 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 37 3.265 -11.834 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.640 -12.561 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.781 -13.774 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.642 -12.863 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.746 -12.079 -11.278 1.00 0.00 H new ATOM 597 N GLU A 38 6.306 -11.367 -7.090 1.00 0.00 N ATOM 598 CA GLU A 38 7.178 -11.516 -5.932 1.00 0.00 C ATOM 599 C GLU A 38 6.696 -10.650 -4.771 1.00 0.00 C ATOM 600 O GLU A 38 6.583 -11.119 -3.639 1.00 0.00 O ATOM 601 CB GLU A 38 8.617 -11.144 -6.297 1.00 0.00 C ATOM 602 CG GLU A 38 9.277 -12.128 -7.248 1.00 0.00 C ATOM 603 CD GLU A 38 9.023 -13.572 -6.862 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.564 -14.014 -5.827 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.283 -14.260 -7.596 1.00 0.00 O ATOM 0 H GLU A 38 6.670 -10.750 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 38 7.148 -12.560 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.623 -10.153 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.210 -11.080 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.906 -11.955 -8.258 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.351 -11.944 -7.267 1.00 0.00 H new ATOM 612 N GLU A 39 6.413 -9.385 -5.063 1.00 0.00 N ATOM 613 CA GLU A 39 5.945 -8.453 -4.044 1.00 0.00 C ATOM 614 C GLU A 39 4.743 -9.024 -3.296 1.00 0.00 C ATOM 615 O GLU A 39 4.737 -9.091 -2.067 1.00 0.00 O ATOM 616 CB GLU A 39 5.573 -7.112 -4.680 1.00 0.00 C ATOM 617 CG GLU A 39 6.704 -6.480 -5.474 1.00 0.00 C ATOM 618 CD GLU A 39 7.822 -5.966 -4.588 1.00 0.00 C ATOM 619 OE1 GLU A 39 7.544 -5.629 -3.418 1.00 0.00 O ATOM 620 OE2 GLU A 39 8.974 -5.899 -5.064 1.00 0.00 O ATOM 0 H GLU A 39 6.499 -8.982 -5.996 1.00 0.00 H new ATOM 0 HA GLU A 39 6.755 -8.297 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.716 -7.257 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.261 -6.422 -3.896 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.107 -7.214 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.309 -5.657 -6.069 1.00 0.00 H new ATOM 627 N LYS A 40 3.727 -9.434 -4.047 1.00 0.00 N ATOM 628 CA LYS A 40 2.519 -10.000 -3.458 1.00 0.00 C ATOM 629 C LYS A 40 2.857 -11.177 -2.549 1.00 0.00 C ATOM 630 O LYS A 40 2.618 -11.130 -1.343 1.00 0.00 O ATOM 631 CB LYS A 40 1.554 -10.451 -4.556 1.00 0.00 C ATOM 632 CG LYS A 40 1.696 -9.667 -5.850 1.00 0.00 C ATOM 633 CD LYS A 40 0.479 -9.841 -6.743 1.00 0.00 C ATOM 634 CE LYS A 40 0.710 -9.244 -8.123 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.346 -9.654 -9.089 1.00 0.00 N ATOM 0 H LYS A 40 3.716 -9.385 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 40 2.041 -9.226 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.719 -11.509 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.531 -10.353 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.834 -8.610 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.589 -9.998 -6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.245 -10.901 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.385 -9.365 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.732 -8.157 -8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.685 -9.558 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.373 -8.980 -9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.135 -10.606 -9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.269 -9.663 -8.611 1.00 0.00 H new ATOM 649 N GLN A 41 3.416 -12.231 -3.136 1.00 0.00 N ATOM 650 CA GLN A 41 3.788 -13.420 -2.378 1.00 0.00 C ATOM 651 C GLN A 41 4.482 -13.039 -1.075 1.00 0.00 C ATOM 652 O GLN A 41 4.509 -13.819 -0.124 1.00 0.00 O ATOM 653 CB GLN A 41 4.701 -14.318 -3.214 1.00 0.00 C ATOM 654 CG GLN A 41 4.843 -15.726 -2.658 1.00 0.00 C ATOM 655 CD GLN A 41 3.518 -16.458 -2.579 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.775 -16.224 -1.504 1.00 0.00 O flip ATOM 657 NE2 GLN A 41 3.166 -17.226 -3.475 1.00 0.00 N flip ATOM 0 H GLN A 41 3.621 -12.286 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 41 2.877 -13.967 -2.136 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.310 -14.375 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.688 -13.860 -3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.530 -16.293 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.287 -15.677 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.769 -17.376 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.272 -17.712 -3.408 1.00 0.00 H new ATOM 666 N MET A 42 5.044 -11.835 -1.039 1.00 0.00 N ATOM 667 CA MET A 42 5.739 -11.351 0.148 1.00 0.00 C ATOM 668 C MET A 42 4.769 -10.656 1.099 1.00 0.00 C ATOM 669 O MET A 42 4.751 -10.939 2.298 1.00 0.00 O ATOM 670 CB MET A 42 6.861 -10.389 -0.248 1.00 0.00 C ATOM 671 CG MET A 42 7.171 -9.348 0.815 1.00 0.00 C ATOM 672 SD MET A 42 8.383 -8.132 0.263 1.00 0.00 S ATOM 673 CE MET A 42 7.325 -6.955 -0.574 1.00 0.00 C ATOM 0 H MET A 42 5.032 -11.177 -1.818 1.00 0.00 H new ATOM 0 HA MET A 42 6.172 -12.210 0.661 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.764 -10.963 -0.457 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.584 -9.882 -1.172 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.251 -8.836 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.544 -9.847 1.709 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.939 -6.208 -1.077 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.711 -7.476 -1.309 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.680 -6.464 0.154 1.00 0.00 H new ATOM 683 N LEU A 43 3.966 -9.747 0.558 1.00 0.00 N ATOM 684 CA LEU A 43 2.994 -9.011 1.359 1.00 0.00 C ATOM 685 C LEU A 43 1.966 -9.957 1.971 1.00 0.00 C ATOM 686 O LEU A 43 1.549 -9.781 3.116 1.00 0.00 O ATOM 687 CB LEU A 43 2.290 -7.959 0.502 1.00 0.00 C ATOM 688 CG LEU A 43 3.200 -6.994 -0.259 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.492 -6.452 -1.491 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.645 -5.855 0.647 1.00 0.00 C ATOM 0 H LEU A 43 3.969 -9.502 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 43 3.529 -8.513 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.655 -8.473 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.633 -7.375 1.146 1.00 0.00 H new ATOM 0 HG LEU A 43 4.085 -7.540 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.155 -5.767 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.224 -7.278 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.589 -5.922 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.292 -5.178 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.771 -5.310 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.192 -6.260 1.499 1.00 0.00 H new ATOM 702 N SER A 44 1.562 -10.962 1.201 1.00 0.00 N ATOM 703 CA SER A 44 0.581 -11.936 1.666 1.00 0.00 C ATOM 704 C SER A 44 1.042 -12.594 2.963 1.00 0.00 C ATOM 705 O SER A 44 0.229 -13.087 3.744 1.00 0.00 O ATOM 706 CB SER A 44 0.342 -13.002 0.596 1.00 0.00 C ATOM 707 OG SER A 44 1.225 -14.098 0.762 1.00 0.00 O ATOM 0 H SER A 44 1.899 -11.123 0.252 1.00 0.00 H new ATOM 0 HA SER A 44 -0.354 -11.410 1.858 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.689 -13.351 0.649 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.480 -12.566 -0.393 1.00 0.00 H new ATOM 0 HG SER A 44 1.051 -14.766 0.067 1.00 0.00 H new ATOM 713 N GLU A 45 2.353 -12.598 3.184 1.00 0.00 N ATOM 714 CA GLU A 45 2.923 -13.197 4.385 1.00 0.00 C ATOM 715 C GLU A 45 2.688 -12.306 5.601 1.00 0.00 C ATOM 716 O GLU A 45 2.385 -12.790 6.692 1.00 0.00 O ATOM 717 CB GLU A 45 4.422 -13.440 4.199 1.00 0.00 C ATOM 718 CG GLU A 45 4.741 -14.532 3.192 1.00 0.00 C ATOM 719 CD GLU A 45 6.216 -14.883 3.160 1.00 0.00 C ATOM 720 OE1 GLU A 45 6.960 -14.244 2.386 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.626 -15.795 3.907 1.00 0.00 O ATOM 0 H GLU A 45 3.040 -12.193 2.547 1.00 0.00 H new ATOM 0 HA GLU A 45 2.426 -14.152 4.554 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.895 -12.512 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.861 -13.705 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.164 -15.424 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.427 -14.209 2.200 1.00 0.00 H new ATOM 728 N LYS A 46 2.831 -10.999 5.406 1.00 0.00 N ATOM 729 CA LYS A 46 2.634 -10.038 6.485 1.00 0.00 C ATOM 730 C LYS A 46 1.149 -9.814 6.750 1.00 0.00 C ATOM 731 O LYS A 46 0.721 -9.717 7.901 1.00 0.00 O ATOM 732 CB LYS A 46 3.308 -8.708 6.139 1.00 0.00 C ATOM 733 CG LYS A 46 4.786 -8.840 5.815 1.00 0.00 C ATOM 734 CD LYS A 46 5.238 -7.777 4.829 1.00 0.00 C ATOM 735 CE LYS A 46 6.609 -8.097 4.254 1.00 0.00 C ATOM 736 NZ LYS A 46 7.707 -7.561 5.105 1.00 0.00 N ATOM 0 H LYS A 46 3.083 -10.581 4.510 1.00 0.00 H new ATOM 0 HA LYS A 46 3.088 -10.445 7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.796 -8.262 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.188 -8.021 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.369 -8.758 6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.982 -9.829 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.512 -7.698 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.268 -6.807 5.326 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.719 -9.177 4.157 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.689 -7.677 3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.625 -7.800 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.617 -6.527 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.647 -7.981 6.055 1.00 0.00 H new ATOM 750 N THR A 47 0.366 -9.734 5.678 1.00 0.00 N ATOM 751 CA THR A 47 -1.071 -9.522 5.796 1.00 0.00 C ATOM 752 C THR A 47 -1.799 -10.832 6.075 1.00 0.00 C ATOM 753 O THR A 47 -2.929 -10.834 6.559 1.00 0.00 O ATOM 754 CB THR A 47 -1.651 -8.888 4.518 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.351 -9.708 3.383 1.00 0.00 O ATOM 756 CG2 THR A 47 -1.088 -7.491 4.303 1.00 0.00 C ATOM 0 H THR A 47 0.703 -9.813 4.719 1.00 0.00 H new ATOM 0 HA THR A 47 -1.223 -8.840 6.633 1.00 0.00 H new ATOM 0 HB THR A 47 -2.732 -8.813 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.396 -9.640 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.512 -7.064 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.344 -6.861 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.004 -7.547 4.206 1.00 0.00 H new ATOM 764 N ASN A 48 -1.142 -11.946 5.766 1.00 0.00 N ATOM 765 CA ASN A 48 -1.728 -13.264 5.984 1.00 0.00 C ATOM 766 C ASN A 48 -2.864 -13.524 4.998 1.00 0.00 C ATOM 767 O ASN A 48 -3.796 -14.274 5.292 1.00 0.00 O ATOM 768 CB ASN A 48 -2.245 -13.384 7.419 1.00 0.00 C ATOM 769 CG ASN A 48 -2.206 -14.811 7.930 1.00 0.00 C ATOM 770 OD1 ASN A 48 -1.266 -15.210 8.618 1.00 0.00 O ATOM 771 ND2 ASN A 48 -3.229 -15.588 7.595 1.00 0.00 N ATOM 0 H ASN A 48 -0.205 -11.962 5.364 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.951 -14.011 5.821 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.645 -12.750 8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.268 -13.012 7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.257 -16.558 7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.987 -15.215 7.023 1.00 0.00 H new ATOM 778 N LEU A 49 -2.779 -12.901 3.828 1.00 0.00 N ATOM 779 CA LEU A 49 -3.798 -13.065 2.798 1.00 0.00 C ATOM 780 C LEU A 49 -3.291 -13.952 1.666 1.00 0.00 C ATOM 781 O LEU A 49 -2.197 -14.511 1.745 1.00 0.00 O ATOM 782 CB LEU A 49 -4.217 -11.702 2.245 1.00 0.00 C ATOM 783 CG LEU A 49 -4.427 -10.594 3.278 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.338 -9.226 2.619 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.767 -10.765 3.978 1.00 0.00 C ATOM 0 H LEU A 49 -2.015 -12.277 3.569 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.664 -13.547 3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.458 -11.371 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.143 -11.829 1.684 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.637 -10.666 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.490 -8.450 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.355 -9.104 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.106 -9.142 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.900 -9.968 4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.570 -10.720 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.793 -11.730 4.484 1.00 0.00 H new ATOM 797 N SER A 50 -4.092 -14.075 0.612 1.00 0.00 N ATOM 798 CA SER A 50 -3.724 -14.895 -0.536 1.00 0.00 C ATOM 799 C SER A 50 -3.538 -14.034 -1.781 1.00 0.00 C ATOM 800 O SER A 50 -4.324 -13.123 -2.043 1.00 0.00 O ATOM 801 CB SER A 50 -4.794 -15.959 -0.792 1.00 0.00 C ATOM 802 OG SER A 50 -4.558 -17.118 -0.012 1.00 0.00 O ATOM 0 H SER A 50 -5.000 -13.617 0.530 1.00 0.00 H new ATOM 0 HA SER A 50 -2.778 -15.388 -0.312 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.778 -15.553 -0.557 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.802 -16.224 -1.849 1.00 0.00 H new ATOM 0 HG SER A 50 -5.256 -17.782 -0.193 1.00 0.00 H new ATOM 808 N LEU A 51 -2.493 -14.329 -2.546 1.00 0.00 N ATOM 809 CA LEU A 51 -2.202 -13.583 -3.766 1.00 0.00 C ATOM 810 C LEU A 51 -3.490 -13.148 -4.458 1.00 0.00 C ATOM 811 O LEU A 51 -3.610 -12.008 -4.908 1.00 0.00 O ATOM 812 CB LEU A 51 -1.359 -14.433 -4.718 1.00 0.00 C ATOM 813 CG LEU A 51 0.124 -14.559 -4.370 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.327 -15.578 -3.259 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.930 -14.944 -5.602 1.00 0.00 C ATOM 0 H LEU A 51 -1.833 -15.080 -2.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.640 -12.690 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.789 -15.434 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.442 -14.011 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 51 0.478 -13.591 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.389 -15.654 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.219 -15.261 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.043 -16.550 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.983 -15.029 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.574 -15.900 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.810 -14.179 -6.369 1.00 0.00 H new ATOM 827 N LEU A 52 -4.450 -14.062 -4.538 1.00 0.00 N ATOM 828 CA LEU A 52 -5.731 -13.772 -5.174 1.00 0.00 C ATOM 829 C LEU A 52 -6.395 -12.558 -4.533 1.00 0.00 C ATOM 830 O LEU A 52 -6.891 -11.671 -5.228 1.00 0.00 O ATOM 831 CB LEU A 52 -6.658 -14.985 -5.075 1.00 0.00 C ATOM 832 CG LEU A 52 -8.146 -14.713 -5.296 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.383 -14.141 -6.685 1.00 0.00 C ATOM 834 CD2 LEU A 52 -8.957 -15.985 -5.095 1.00 0.00 C ATOM 0 H LEU A 52 -4.366 -15.010 -4.171 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.544 -13.549 -6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.332 -15.726 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.534 -15.433 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.474 -13.978 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.448 -13.954 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.833 -13.206 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.038 -14.853 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.014 -15.772 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.627 -16.743 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.812 -16.352 -4.079 1.00 0.00 H new ATOM 846 N GLN A 53 -6.398 -12.524 -3.204 1.00 0.00 N ATOM 847 CA GLN A 53 -6.999 -11.416 -2.470 1.00 0.00 C ATOM 848 C GLN A 53 -6.125 -10.170 -2.553 1.00 0.00 C ATOM 849 O GLN A 53 -6.628 -9.046 -2.547 1.00 0.00 O ATOM 850 CB GLN A 53 -7.217 -11.805 -1.007 1.00 0.00 C ATOM 851 CG GLN A 53 -8.369 -12.775 -0.800 1.00 0.00 C ATOM 852 CD GLN A 53 -8.798 -12.871 0.651 1.00 0.00 C ATOM 853 OE1 GLN A 53 -9.776 -12.246 1.063 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.067 -13.654 1.435 1.00 0.00 N ATOM 0 H GLN A 53 -5.992 -13.250 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.963 -11.191 -2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.302 -12.252 -0.619 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.403 -10.903 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.218 -12.459 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.075 -13.763 -1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.265 -14.154 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.308 -13.756 2.421 1.00 0.00 H new ATOM 863 N ILE A 54 -4.814 -10.376 -2.629 1.00 0.00 N ATOM 864 CA ILE A 54 -3.871 -9.269 -2.713 1.00 0.00 C ATOM 865 C ILE A 54 -4.162 -8.389 -3.924 1.00 0.00 C ATOM 866 O ILE A 54 -4.609 -7.251 -3.784 1.00 0.00 O ATOM 867 CB ILE A 54 -2.417 -9.772 -2.797 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.058 -10.569 -1.541 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.461 -8.603 -2.981 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.079 -9.742 -0.274 1.00 0.00 C ATOM 0 H ILE A 54 -4.382 -11.300 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.992 -8.683 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.325 -10.430 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.757 -11.399 -1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.065 -11.002 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.438 -8.975 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.707 -8.073 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.552 -7.922 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.815 -10.371 0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.360 -8.927 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.077 -9.331 -0.124 1.00 0.00 H new ATOM 882 N SER A 55 -3.908 -8.925 -5.113 1.00 0.00 N ATOM 883 CA SER A 55 -4.141 -8.189 -6.350 1.00 0.00 C ATOM 884 C SER A 55 -5.560 -7.628 -6.389 1.00 0.00 C ATOM 885 O SER A 55 -5.763 -6.441 -6.637 1.00 0.00 O ATOM 886 CB SER A 55 -3.905 -9.094 -7.560 1.00 0.00 C ATOM 887 OG SER A 55 -2.559 -9.023 -7.996 1.00 0.00 O ATOM 0 H SER A 55 -3.540 -9.867 -5.246 1.00 0.00 H new ATOM 0 HA SER A 55 -3.438 -7.357 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.153 -10.124 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.570 -8.800 -8.373 1.00 0.00 H new ATOM 0 HG SER A 55 -2.532 -8.706 -8.923 1.00 0.00 H new ATOM 893 N ASN A 56 -6.538 -8.493 -6.142 1.00 0.00 N ATOM 894 CA ASN A 56 -7.939 -8.086 -6.149 1.00 0.00 C ATOM 895 C ASN A 56 -8.122 -6.756 -5.424 1.00 0.00 C ATOM 896 O ASN A 56 -8.910 -5.910 -5.847 1.00 0.00 O ATOM 897 CB ASN A 56 -8.807 -9.161 -5.493 1.00 0.00 C ATOM 898 CG ASN A 56 -9.180 -10.271 -6.457 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.021 -10.133 -7.670 1.00 0.00 O ATOM 900 ND2 ASN A 56 -9.680 -11.378 -5.920 1.00 0.00 N ATOM 0 H ASN A 56 -6.387 -9.480 -5.934 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.250 -7.960 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.273 -9.586 -4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.715 -8.702 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.950 -12.158 -6.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.794 -11.448 -4.909 1.00 0.00 H new ATOM 907 N TRP A 57 -7.389 -6.579 -4.331 1.00 0.00 N ATOM 908 CA TRP A 57 -7.470 -5.351 -3.547 1.00 0.00 C ATOM 909 C TRP A 57 -6.880 -4.175 -4.316 1.00 0.00 C ATOM 910 O TRP A 57 -7.507 -3.122 -4.437 1.00 0.00 O ATOM 911 CB TRP A 57 -6.740 -5.524 -2.214 1.00 0.00 C ATOM 912 CG TRP A 57 -6.577 -4.241 -1.456 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.478 -3.676 -0.599 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.446 -3.365 -1.488 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.974 -2.500 -0.096 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.729 -2.287 -0.626 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.221 -3.385 -2.160 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.832 -1.243 -0.421 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.331 -2.348 -1.956 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.640 -1.289 -1.091 1.00 0.00 C ATOM 0 H TRP A 57 -6.732 -7.269 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.522 -5.142 -3.352 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.289 -6.235 -1.597 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.756 -5.956 -2.400 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.444 -4.092 -0.353 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.450 -1.886 0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.974 -4.197 -2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.068 -0.425 0.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.382 -2.353 -2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.923 -0.494 -0.951 1.00 0.00 H new ATOM 931 N PHE A 58 -5.670 -4.359 -4.833 1.00 0.00 N ATOM 932 CA PHE A 58 -4.994 -3.311 -5.590 1.00 0.00 C ATOM 933 C PHE A 58 -5.890 -2.784 -6.707 1.00 0.00 C ATOM 934 O PHE A 58 -5.817 -1.611 -7.074 1.00 0.00 O ATOM 935 CB PHE A 58 -3.684 -3.841 -6.178 1.00 0.00 C ATOM 936 CG PHE A 58 -2.539 -3.817 -5.206 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.765 -2.678 -5.055 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.236 -4.934 -4.444 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.710 -2.654 -4.163 1.00 0.00 C ATOM 940 CE2 PHE A 58 -1.183 -4.916 -3.550 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.419 -3.774 -3.409 1.00 0.00 C ATOM 0 H PHE A 58 -5.137 -5.224 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.772 -2.490 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.837 -4.864 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.420 -3.246 -7.053 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.989 -1.799 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.830 -5.830 -4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.113 -1.760 -4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.958 -5.794 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.404 -3.757 -2.710 1.00 0.00 H new ATOM 951 N ILE A 59 -6.733 -3.659 -7.244 1.00 0.00 N ATOM 952 CA ILE A 59 -7.642 -3.283 -8.319 1.00 0.00 C ATOM 953 C ILE A 59 -8.474 -2.064 -7.934 1.00 0.00 C ATOM 954 O ILE A 59 -8.256 -0.965 -8.442 1.00 0.00 O ATOM 955 CB ILE A 59 -8.589 -4.440 -8.687 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.785 -5.674 -9.103 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.534 -4.018 -9.802 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.645 -6.874 -9.431 1.00 0.00 C ATOM 0 H ILE A 59 -6.805 -4.634 -6.952 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.024 -3.041 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.184 -4.695 -7.810 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.177 -5.425 -9.972 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.099 -5.938 -8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.197 -4.847 -10.050 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.127 -3.165 -9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.956 -3.739 -10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.008 -7.711 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.234 -7.149 -8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.313 -6.628 -10.256 1.00 0.00 H new ATOM 970 N ASN A 60 -9.427 -2.266 -7.030 1.00 0.00 N ATOM 971 CA ASN A 60 -10.291 -1.183 -6.574 1.00 0.00 C ATOM 972 C ASN A 60 -9.505 -0.173 -5.743 1.00 0.00 C ATOM 973 O ASN A 60 -9.712 1.034 -5.856 1.00 0.00 O ATOM 974 CB ASN A 60 -11.454 -1.742 -5.753 1.00 0.00 C ATOM 975 CG ASN A 60 -12.663 -2.067 -6.609 1.00 0.00 C ATOM 976 OD1 ASN A 60 -12.724 -1.699 -7.782 1.00 0.00 O ATOM 977 ND2 ASN A 60 -13.633 -2.760 -6.024 1.00 0.00 N ATOM 0 H ASN A 60 -9.621 -3.170 -6.599 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.687 -0.673 -7.452 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.128 -2.643 -5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.737 -1.018 -4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.471 -3.008 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.540 -3.044 -5.049 1.00 0.00 H new ATOM 984 N ALA A 61 -8.602 -0.677 -4.908 1.00 0.00 N ATOM 985 CA ALA A 61 -7.784 0.180 -4.060 1.00 0.00 C ATOM 986 C ALA A 61 -7.056 1.236 -4.886 1.00 0.00 C ATOM 987 O ALA A 61 -7.078 2.421 -4.553 1.00 0.00 O ATOM 988 CB ALA A 61 -6.786 -0.656 -3.271 1.00 0.00 C ATOM 0 H ALA A 61 -8.419 -1.675 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.444 0.694 -3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.181 -0.003 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.323 -1.368 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.138 -1.196 -3.961 1.00 0.00 H new ATOM 994 N ARG A 62 -6.412 0.797 -5.963 1.00 0.00 N ATOM 995 CA ARG A 62 -5.676 1.705 -6.835 1.00 0.00 C ATOM 996 C ARG A 62 -6.601 2.770 -7.416 1.00 0.00 C ATOM 997 O ARG A 62 -6.146 3.729 -8.040 1.00 0.00 O ATOM 998 CB ARG A 62 -5.003 0.926 -7.966 1.00 0.00 C ATOM 999 CG ARG A 62 -4.133 1.788 -8.866 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.515 0.972 -9.991 1.00 0.00 C ATOM 1001 NE ARG A 62 -3.104 1.811 -11.113 1.00 0.00 N ATOM 1002 CZ ARG A 62 -3.958 2.410 -11.934 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -5.264 2.264 -11.759 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -3.507 3.158 -12.933 1.00 0.00 N ATOM 0 H ARG A 62 -6.385 -0.181 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.910 2.200 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.392 0.133 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.771 0.444 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.732 2.596 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.343 2.251 -8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.651 0.426 -9.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.234 0.230 -10.338 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.106 1.944 -11.275 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.615 1.690 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.918 2.725 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.503 3.273 -13.071 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.164 3.618 -13.563 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.902 2.594 -7.207 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.891 3.539 -7.712 1.00 0.00 C ATOM 1020 C ARG A 63 -9.417 4.428 -6.589 1.00 0.00 C ATOM 1021 O ARG A 63 -9.948 5.510 -6.838 1.00 0.00 O ATOM 1022 CB ARG A 63 -10.052 2.791 -8.371 1.00 0.00 C ATOM 1023 CG ARG A 63 -9.648 2.008 -9.609 1.00 0.00 C ATOM 1024 CD ARG A 63 -10.773 1.104 -10.088 1.00 0.00 C ATOM 1025 NE ARG A 63 -10.273 -0.029 -10.861 1.00 0.00 N ATOM 1026 CZ ARG A 63 -9.710 0.089 -12.059 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -9.576 1.285 -12.616 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -9.279 -0.989 -12.701 1.00 0.00 N ATOM 0 H ARG A 63 -8.295 1.806 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.406 4.171 -8.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.490 2.106 -7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.828 3.507 -8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.372 2.700 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.766 1.407 -9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.334 0.737 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.467 1.681 -10.699 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.361 -0.963 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.905 2.116 -12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.144 1.374 -13.536 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.380 -1.910 -12.275 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.847 -0.896 -13.620 1.00 0.00 H new ATOM 1042 N ARG A 64 -9.264 3.964 -5.353 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.725 4.715 -4.192 1.00 0.00 C ATOM 1044 C ARG A 64 -8.591 4.919 -3.192 1.00 0.00 C ATOM 1045 O ARG A 64 -8.821 5.324 -2.052 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.890 3.990 -3.517 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.745 4.892 -2.642 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.786 4.096 -1.870 1.00 0.00 C ATOM 1049 NE ARG A 64 -13.644 4.957 -1.061 1.00 0.00 N ATOM 1050 CZ ARG A 64 -14.577 5.753 -1.571 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -14.771 5.797 -2.882 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -15.318 6.507 -0.769 1.00 0.00 N ATOM 0 H ARG A 64 -8.824 3.071 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 64 -10.065 5.692 -4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.520 3.540 -4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.496 3.175 -2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.107 5.433 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -12.242 5.638 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.399 3.527 -2.569 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.285 3.374 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.520 4.947 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.203 5.219 -3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.488 6.409 -3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -15.171 6.476 0.240 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -16.034 7.118 -1.161 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.368 4.636 -3.626 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.199 4.789 -2.769 1.00 0.00 C ATOM 1068 C ILE A 65 -5.077 5.525 -3.495 1.00 0.00 C ATOM 1069 O ILE A 65 -4.655 6.603 -3.075 1.00 0.00 O ATOM 1070 CB ILE A 65 -5.673 3.425 -2.285 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -6.735 2.714 -1.444 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.390 3.604 -1.487 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.175 1.618 -0.563 1.00 0.00 C ATOM 0 H ILE A 65 -7.161 4.299 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.516 5.374 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.452 2.808 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.243 3.448 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.487 2.287 -2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.031 2.631 -1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.633 4.073 -2.115 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.585 4.236 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.984 1.158 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.692 0.863 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.445 2.042 0.126 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.601 4.936 -4.586 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.529 5.536 -5.373 1.00 0.00 C ATOM 1087 C LEU A 66 -3.799 7.017 -5.621 1.00 0.00 C ATOM 1088 O LEU A 66 -2.964 7.880 -5.348 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.377 4.804 -6.707 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.623 5.556 -7.804 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.248 5.982 -7.311 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.501 4.696 -9.053 1.00 0.00 C ATOM 0 H LEU A 66 -4.940 4.044 -4.946 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.602 5.444 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.864 3.860 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.372 4.560 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.189 6.452 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.726 6.516 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.358 6.636 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.673 5.100 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.962 5.247 -9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.958 3.782 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.496 4.442 -9.418 1.00 0.00 H new ATOM 1104 N PRO A 67 -4.994 7.321 -6.148 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.403 8.697 -6.441 1.00 0.00 C ATOM 1106 C PRO A 67 -5.645 9.513 -5.176 1.00 0.00 C ATOM 1107 O PRO A 67 -5.834 10.728 -5.235 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.709 8.521 -7.221 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.241 7.203 -6.776 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.039 6.343 -6.498 1.00 0.00 C ATOM 0 HA PRO A 67 -4.634 9.242 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.412 9.325 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.533 8.534 -8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.857 7.312 -5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.871 6.756 -7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.225 5.644 -5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.759 5.750 -7.369 1.00 0.00 H new ATOM 1118 N ASP A 68 -5.638 8.837 -4.032 1.00 0.00 N ATOM 1119 CA ASP A 68 -5.855 9.499 -2.751 1.00 0.00 C ATOM 1120 C ASP A 68 -4.527 9.850 -2.088 1.00 0.00 C ATOM 1121 O ASP A 68 -4.425 10.840 -1.364 1.00 0.00 O ATOM 1122 CB ASP A 68 -6.682 8.606 -1.824 1.00 0.00 C ATOM 1123 CG ASP A 68 -7.500 9.404 -0.829 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -7.124 10.560 -0.542 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -8.519 8.874 -0.338 1.00 0.00 O ATOM 0 H ASP A 68 -5.484 7.831 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.403 10.423 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.348 7.985 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.016 7.932 -1.285 1.00 0.00 H new ATOM 1130 N MET A 69 -3.511 9.030 -2.341 1.00 0.00 N ATOM 1131 CA MET A 69 -2.189 9.254 -1.768 1.00 0.00 C ATOM 1132 C MET A 69 -1.299 10.025 -2.739 1.00 0.00 C ATOM 1133 O MET A 69 -0.529 10.896 -2.333 1.00 0.00 O ATOM 1134 CB MET A 69 -1.533 7.920 -1.408 1.00 0.00 C ATOM 1135 CG MET A 69 -1.439 6.953 -2.577 1.00 0.00 C ATOM 1136 SD MET A 69 -0.621 5.408 -2.136 1.00 0.00 S ATOM 1137 CE MET A 69 -1.517 4.961 -0.651 1.00 0.00 C ATOM 0 H MET A 69 -3.578 8.206 -2.938 1.00 0.00 H new ATOM 0 HA MET A 69 -2.309 9.848 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.531 8.110 -1.023 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.100 7.451 -0.604 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.442 6.736 -2.946 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.895 7.428 -3.393 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.603 3.876 -0.591 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.981 5.332 0.223 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.513 5.403 -0.680 1.00 0.00 H new ATOM 1147 N LEU A 70 -1.411 9.700 -4.022 1.00 0.00 N ATOM 1148 CA LEU A 70 -0.616 10.362 -5.051 1.00 0.00 C ATOM 1149 C LEU A 70 -0.906 11.859 -5.083 1.00 0.00 C ATOM 1150 O LEU A 70 -0.040 12.660 -5.435 1.00 0.00 O ATOM 1151 CB LEU A 70 -0.905 9.746 -6.421 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.520 10.594 -7.633 1.00 0.00 C ATOM 1153 CD1 LEU A 70 0.993 10.692 -7.757 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -1.125 10.015 -8.904 1.00 0.00 C ATOM 0 H LEU A 70 -2.044 8.982 -4.375 1.00 0.00 H new ATOM 0 HA LEU A 70 0.437 10.219 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.379 8.794 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.971 9.526 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.918 11.599 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.248 11.299 -8.625 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.403 11.153 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.414 9.694 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.840 10.632 -9.756 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.758 9.000 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.211 9.998 -8.815 1.00 0.00 H new ATOM 1166 N GLN A 71 -2.127 12.229 -4.711 1.00 0.00 N ATOM 1167 CA GLN A 71 -2.529 13.630 -4.695 1.00 0.00 C ATOM 1168 C GLN A 71 -1.505 14.482 -3.953 1.00 0.00 C ATOM 1169 O GLN A 71 -0.831 14.004 -3.040 1.00 0.00 O ATOM 1170 CB GLN A 71 -3.904 13.781 -4.043 1.00 0.00 C ATOM 1171 CG GLN A 71 -5.058 13.684 -5.028 1.00 0.00 C ATOM 1172 CD GLN A 71 -5.052 14.807 -6.047 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -4.129 15.621 -6.085 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -6.084 14.856 -6.881 1.00 0.00 N ATOM 0 H GLN A 71 -2.855 11.578 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.584 13.977 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.022 13.011 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.952 14.744 -3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.008 12.727 -5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.000 13.700 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.827 14.161 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.133 15.589 -7.589 1.00 0.00 H new ATOM 1183 N GLN A 72 -1.393 15.745 -4.352 1.00 0.00 N ATOM 1184 CA GLN A 72 -0.449 16.663 -3.724 1.00 0.00 C ATOM 1185 C GLN A 72 -0.626 16.673 -2.209 1.00 0.00 C ATOM 1186 O GLN A 72 -1.730 16.874 -1.705 1.00 0.00 O ATOM 1187 CB GLN A 72 -0.633 18.076 -4.280 1.00 0.00 C ATOM 1188 CG GLN A 72 0.368 19.080 -3.732 1.00 0.00 C ATOM 1189 CD GLN A 72 0.107 20.491 -4.222 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -0.616 21.258 -3.587 1.00 0.00 O ATOM 1191 NE2 GLN A 72 0.697 20.841 -5.360 1.00 0.00 N ATOM 0 H GLN A 72 -1.943 16.156 -5.106 1.00 0.00 H new ATOM 0 HA GLN A 72 0.560 16.319 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.546 18.044 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.642 18.419 -4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.332 19.065 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.375 18.779 -4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.289 20.173 -5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.558 21.778 -5.739 1.00 0.00 H new ATOM 1200 N ARG A 73 0.470 16.455 -1.489 1.00 0.00 N ATOM 1201 CA ARG A 73 0.436 16.438 -0.032 1.00 0.00 C ATOM 1202 C ARG A 73 1.708 17.047 0.549 1.00 0.00 C ATOM 1203 O ARG A 73 2.565 17.539 -0.186 1.00 0.00 O ATOM 1204 CB ARG A 73 0.264 15.006 0.479 1.00 0.00 C ATOM 1205 CG ARG A 73 -1.100 14.410 0.173 1.00 0.00 C ATOM 1206 CD ARG A 73 -2.131 14.815 1.214 1.00 0.00 C ATOM 1207 NE ARG A 73 -1.856 14.218 2.518 1.00 0.00 N ATOM 1208 CZ ARG A 73 -2.681 14.306 3.556 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -3.827 14.963 3.442 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -2.361 13.736 4.710 1.00 0.00 N ATOM 0 H ARG A 73 1.392 16.288 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.414 17.037 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.034 14.376 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.423 14.992 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.429 14.738 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.024 13.323 0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.144 15.901 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.123 14.512 0.879 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.983 13.705 2.639 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.077 15.402 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.459 15.029 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.481 13.229 4.802 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.995 13.804 5.506 1.00 0.00 H new ATOM 1224 N ARG A 74 1.824 17.012 1.873 1.00 0.00 N ATOM 1225 CA ARG A 74 2.991 17.562 2.552 1.00 0.00 C ATOM 1226 C ARG A 74 3.897 16.447 3.066 1.00 0.00 C ATOM 1227 O ARG A 74 3.722 15.955 4.180 1.00 0.00 O ATOM 1228 CB ARG A 74 2.555 18.456 3.715 1.00 0.00 C ATOM 1229 CG ARG A 74 1.926 19.767 3.272 1.00 0.00 C ATOM 1230 CD ARG A 74 2.973 20.857 3.097 1.00 0.00 C ATOM 1231 NE ARG A 74 2.520 21.910 2.192 1.00 0.00 N ATOM 1232 CZ ARG A 74 2.293 21.719 0.898 1.00 0.00 C ATOM 1233 NH1 ARG A 74 2.475 20.521 0.359 1.00 0.00 N ATOM 1234 NH2 ARG A 74 1.883 22.728 0.139 1.00 0.00 N ATOM 0 H ARG A 74 1.124 16.609 2.496 1.00 0.00 H new ATOM 0 HA ARG A 74 3.551 18.159 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.842 17.911 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.421 18.671 4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.394 19.617 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.188 20.085 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.210 21.291 4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.893 20.418 2.711 1.00 0.00 H new ATOM 0 HE ARG A 74 2.370 22.843 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.790 19.743 0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.300 20.377 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.742 23.651 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.709 22.580 -0.855 1.00 0.00 H new ATOM 1248 N ASN A 75 4.865 16.054 2.245 1.00 0.00 N ATOM 1249 CA ASN A 75 5.799 14.996 2.616 1.00 0.00 C ATOM 1250 C ASN A 75 7.024 15.009 1.708 1.00 0.00 C ATOM 1251 O ASN A 75 7.070 15.742 0.719 1.00 0.00 O ATOM 1252 CB ASN A 75 5.110 13.631 2.543 1.00 0.00 C ATOM 1253 CG ASN A 75 5.917 12.540 3.220 1.00 0.00 C ATOM 1254 OD1 ASN A 75 6.274 11.540 2.598 1.00 0.00 O ATOM 1255 ND2 ASN A 75 6.207 12.729 4.502 1.00 0.00 N ATOM 0 H ASN A 75 5.024 16.451 1.319 1.00 0.00 H new ATOM 0 HA ASN A 75 6.126 15.176 3.640 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.128 13.697 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.947 13.364 1.499 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.747 12.029 5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.890 13.574 4.977 1.00 0.00 H new ATOM 1262 N ASP A 76 8.016 14.194 2.050 1.00 0.00 N ATOM 1263 CA ASP A 76 9.242 14.110 1.265 1.00 0.00 C ATOM 1264 C ASP A 76 9.246 12.856 0.396 1.00 0.00 C ATOM 1265 O ASP A 76 9.599 11.764 0.841 1.00 0.00 O ATOM 1266 CB ASP A 76 10.463 14.111 2.186 1.00 0.00 C ATOM 1267 CG ASP A 76 10.229 13.324 3.460 1.00 0.00 C ATOM 1268 OD1 ASP A 76 9.451 13.796 4.314 1.00 0.00 O ATOM 1269 OD2 ASP A 76 10.825 12.235 3.603 1.00 0.00 O ATOM 0 H ASP A 76 7.995 13.582 2.866 1.00 0.00 H new ATOM 0 HA ASP A 76 9.287 14.982 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.316 13.690 1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.722 15.139 2.440 1.00 0.00 H new ATOM 1274 N PRO A 77 8.843 13.014 -0.874 1.00 0.00 N ATOM 1275 CA PRO A 77 8.791 11.906 -1.832 1.00 0.00 C ATOM 1276 C PRO A 77 10.180 11.418 -2.230 1.00 0.00 C ATOM 1277 O PRO A 77 10.954 12.152 -2.844 1.00 0.00 O ATOM 1278 CB PRO A 77 8.072 12.514 -3.038 1.00 0.00 C ATOM 1279 CG PRO A 77 8.338 13.976 -2.941 1.00 0.00 C ATOM 1280 CD PRO A 77 8.409 14.288 -1.472 1.00 0.00 C ATOM 0 HA PRO A 77 8.291 11.031 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.452 12.104 -3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.003 12.303 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.271 14.237 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.547 14.549 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.117 15.091 -1.265 1.00 0.00 H new ATOM 0 HD3 PRO A 77 7.443 14.607 -1.082 1.00 0.00 H new ATOM 1288 N SER A 78 10.489 10.174 -1.876 1.00 0.00 N ATOM 1289 CA SER A 78 11.786 9.589 -2.194 1.00 0.00 C ATOM 1290 C SER A 78 11.756 8.910 -3.560 1.00 0.00 C ATOM 1291 O SER A 78 11.211 7.817 -3.710 1.00 0.00 O ATOM 1292 CB SER A 78 12.192 8.580 -1.118 1.00 0.00 C ATOM 1293 OG SER A 78 13.590 8.352 -1.134 1.00 0.00 O ATOM 0 H SER A 78 9.859 9.552 -1.369 1.00 0.00 H new ATOM 0 HA SER A 78 12.522 10.393 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.892 8.949 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.665 7.640 -1.280 1.00 0.00 H new ATOM 0 HG SER A 78 13.824 7.705 -0.436 1.00 0.00 H new ATOM 1299 N GLY A 79 12.346 9.566 -4.554 1.00 0.00 N ATOM 1300 CA GLY A 79 12.376 9.012 -5.895 1.00 0.00 C ATOM 1301 C GLY A 79 13.000 9.959 -6.900 1.00 0.00 C ATOM 1302 O GLY A 79 12.570 11.102 -7.058 1.00 0.00 O ATOM 0 H GLY A 79 12.804 10.472 -4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.936 8.077 -5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.360 8.772 -6.209 1.00 0.00 H new ATOM 1306 N PRO A 80 14.039 9.483 -7.602 1.00 0.00 N ATOM 1307 CA PRO A 80 14.746 10.280 -8.609 1.00 0.00 C ATOM 1308 C PRO A 80 13.897 10.530 -9.850 1.00 0.00 C ATOM 1309 O PRO A 80 13.902 11.628 -10.406 1.00 0.00 O ATOM 1310 CB PRO A 80 15.961 9.415 -8.956 1.00 0.00 C ATOM 1311 CG PRO A 80 15.537 8.022 -8.640 1.00 0.00 C ATOM 1312 CD PRO A 80 14.604 8.130 -7.466 1.00 0.00 C ATOM 0 HA PRO A 80 15.004 11.272 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 80 16.233 9.517 -10.007 1.00 0.00 H new ATOM 0 HB3 PRO A 80 16.834 9.705 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.039 7.563 -9.494 1.00 0.00 H new ATOM 0 HG3 PRO A 80 16.397 7.397 -8.399 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.828 7.365 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 80 15.132 8.008 -6.520 1.00 0.00 H new ATOM 1320 N SER A 81 13.169 9.505 -10.280 1.00 0.00 N ATOM 1321 CA SER A 81 12.318 9.613 -11.459 1.00 0.00 C ATOM 1322 C SER A 81 13.157 9.758 -12.725 1.00 0.00 C ATOM 1323 O SER A 81 12.816 10.526 -13.624 1.00 0.00 O ATOM 1324 CB SER A 81 11.370 10.806 -11.322 1.00 0.00 C ATOM 1325 OG SER A 81 10.356 10.769 -12.311 1.00 0.00 O ATOM 0 H SER A 81 13.151 8.590 -9.830 1.00 0.00 H new ATOM 0 HA SER A 81 11.731 8.698 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.916 10.801 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.934 11.735 -11.410 1.00 0.00 H new ATOM 0 HG SER A 81 10.767 10.702 -13.198 1.00 0.00 H new ATOM 1331 N SER A 82 14.257 9.015 -12.786 1.00 0.00 N ATOM 1332 CA SER A 82 15.149 9.063 -13.939 1.00 0.00 C ATOM 1333 C SER A 82 15.225 7.702 -14.624 1.00 0.00 C ATOM 1334 O SER A 82 15.497 6.687 -13.984 1.00 0.00 O ATOM 1335 CB SER A 82 16.548 9.509 -13.510 1.00 0.00 C ATOM 1336 OG SER A 82 17.087 8.633 -12.535 1.00 0.00 O ATOM 0 H SER A 82 14.552 8.373 -12.051 1.00 0.00 H new ATOM 0 HA SER A 82 14.746 9.786 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.206 9.540 -14.379 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.503 10.521 -13.108 1.00 0.00 H new ATOM 0 HG SER A 82 16.773 7.721 -12.706 1.00 0.00 H new ATOM 1342 N GLY A 83 14.982 7.690 -15.931 1.00 0.00 N ATOM 1343 CA GLY A 83 15.027 6.449 -16.682 1.00 0.00 C ATOM 1344 C GLY A 83 13.919 6.355 -17.713 1.00 0.00 C ATOM 1345 O GLY A 83 13.752 5.322 -18.362 1.00 0.00 O ATOM 0 H GLY A 83 14.755 8.517 -16.483 1.00 0.00 H new ATOM 0 HA2 GLY A 83 15.992 6.365 -17.182 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.950 5.608 -15.993 1.00 0.00 H new TER 1349 GLY A 83