USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 938 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 87 THR OG1 : rot -110:sc= 0.427 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.843 K(o=-0.42,f=-5.4) USER MOD Set 2.1: A 29 ASN : amide:sc= -1.18 K(o=-1.1,f=-3) USER MOD Set 2.2: A 31 THR OG1 : rot -90:sc= 0.0872 USER MOD Single : A 0 HIS : no HD1:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.04 (180deg=-0.271) USER MOD Single : A -1 SER OG : rot 28:sc= 0.364 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -7.94! K(o=-7.9!,f=-3.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -111:sc= 0.121 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0201) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 22 THR OG1 : rot 46:sc= 0.274 USER MOD Single : A 25 HIS : no HE2:sc= -1.01 K(o=-1,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -89:sc= 1.13 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 145:sc= -4.03! (180deg=-7.63!) USER MOD Single : A 37 THR OG1 : rot 83:sc= 2.87 USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= -1.85! (180deg=-2.45!) USER MOD Single : A 48 SER OG : rot 140:sc= 0.0354 USER MOD Single : A 56 CYS SG : rot 40:sc= -4.13! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 91:sc= 0.0364 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 160:sc= -0.184 (180deg=-0.682) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00367 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.0348 (180deg=-0.232) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HE2:sc= -8.53! C(o=-8.5!,f=-14!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -120:sc= -3.31! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.2!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 107 THR OG1 : rot 111:sc= 0.322 USER MOD Single : A 111 ASN : amide:sc= -0.661 K(o=-0.66,f=-3.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -20.701 -18.859 17.352 1.00 0.00 N ATOM 2 CA GLY A -2 -20.554 -18.653 18.819 1.00 0.00 C ATOM 3 C GLY A -2 -19.226 -18.021 19.186 1.00 0.00 C ATOM 4 O GLY A -2 -18.772 -17.087 18.525 1.00 0.00 O ATOM 0 H1 GLY A -2 -21.625 -19.293 17.153 1.00 0.00 H new ATOM 0 H2 GLY A -2 -20.637 -17.942 16.865 1.00 0.00 H new ATOM 0 H3 GLY A -2 -19.944 -19.485 17.012 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -21.366 -18.019 19.177 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -20.650 -19.612 19.329 1.00 0.00 H new ATOM 10 N SER A -1 -18.603 -18.532 20.243 1.00 0.00 N ATOM 11 CA SER A -1 -17.318 -18.014 20.699 1.00 0.00 C ATOM 12 C SER A -1 -16.428 -19.140 21.215 1.00 0.00 C ATOM 13 O SER A -1 -16.822 -19.898 22.102 1.00 0.00 O ATOM 14 CB SER A -1 -17.527 -16.969 21.797 1.00 0.00 C ATOM 15 OG SER A -1 -18.198 -17.529 22.912 1.00 0.00 O ATOM 0 H SER A -1 -18.967 -19.305 20.800 1.00 0.00 H new ATOM 0 HA SER A -1 -16.822 -17.545 19.849 1.00 0.00 H new ATOM 0 HB2 SER A -1 -16.563 -16.570 22.112 1.00 0.00 H new ATOM 0 HB3 SER A -1 -18.105 -16.133 21.403 1.00 0.00 H new ATOM 0 HG SER A -1 -17.998 -18.487 22.967 1.00 0.00 H new ATOM 21 N HIS A 0 -15.227 -19.243 20.654 1.00 0.00 N ATOM 22 CA HIS A 0 -14.281 -20.277 21.057 1.00 0.00 C ATOM 23 C HIS A 0 -12.844 -19.821 20.818 1.00 0.00 C ATOM 24 O HIS A 0 -12.024 -19.813 21.737 1.00 0.00 O ATOM 25 CB HIS A 0 -14.553 -21.573 20.291 1.00 0.00 C ATOM 26 CG HIS A 0 -13.645 -22.700 20.676 1.00 0.00 C ATOM 27 ND1 HIS A 0 -12.569 -23.095 19.911 1.00 0.00 N ATOM 28 CD2 HIS A 0 -13.659 -23.520 21.754 1.00 0.00 C ATOM 29 CE1 HIS A 0 -11.960 -24.110 20.499 1.00 0.00 C ATOM 30 NE2 HIS A 0 -12.601 -24.385 21.620 1.00 0.00 N ATOM 0 H HIS A 0 -14.886 -18.623 19.919 1.00 0.00 H new ATOM 0 HA HIS A 0 -14.412 -20.460 22.123 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -15.586 -21.876 20.461 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -14.449 -21.382 19.223 1.00 0.00 H new ATOM 0 HD2 HIS A 0 -14.370 -23.498 22.567 1.00 0.00 H new ATOM 0 HE1 HIS A 0 -11.088 -24.626 20.126 1.00 0.00 H new ATOM 0 HE2 HIS A 0 -12.351 -25.121 22.280 1.00 0.00 H new ATOM 39 N MET A 1 -12.547 -19.444 19.579 1.00 0.00 N ATOM 40 CA MET A 1 -11.210 -18.988 19.218 1.00 0.00 C ATOM 41 C MET A 1 -11.080 -17.480 19.402 1.00 0.00 C ATOM 42 O MET A 1 -9.994 -16.975 19.685 1.00 0.00 O ATOM 43 CB MET A 1 -10.893 -19.367 17.770 1.00 0.00 C ATOM 44 CG MET A 1 -10.936 -20.863 17.508 1.00 0.00 C ATOM 45 SD MET A 1 -10.558 -21.280 15.795 1.00 0.00 S ATOM 46 CE MET A 1 -10.693 -23.065 15.844 1.00 0.00 C ATOM 0 H MET A 1 -13.215 -19.445 18.808 1.00 0.00 H new ATOM 0 HA MET A 1 -10.496 -19.478 19.879 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.604 -18.871 17.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.903 -18.990 17.513 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.225 -21.363 18.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.926 -21.244 17.761 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.486 -23.473 14.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.974 -23.465 16.559 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.701 -23.345 16.148 1.00 0.00 H new ATOM 56 N ILE A 2 -12.199 -16.772 19.231 1.00 0.00 N ATOM 57 CA ILE A 2 -12.241 -15.315 19.374 1.00 0.00 C ATOM 58 C ILE A 2 -11.024 -14.649 18.722 1.00 0.00 C ATOM 59 O ILE A 2 -10.599 -13.565 19.124 1.00 0.00 O ATOM 60 CB ILE A 2 -12.348 -14.893 20.861 1.00 0.00 C ATOM 61 CG1 ILE A 2 -12.800 -13.434 20.971 1.00 0.00 C ATOM 62 CG2 ILE A 2 -11.026 -15.102 21.589 1.00 0.00 C ATOM 63 CD1 ILE A 2 -13.114 -12.999 22.387 1.00 0.00 C ATOM 0 H ILE A 2 -13.098 -17.190 18.991 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.136 -14.973 18.855 1.00 0.00 H new ATOM 0 HB ILE A 2 -13.096 -15.526 21.339 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.019 -12.790 20.567 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.685 -13.289 20.351 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -11.132 -14.797 22.630 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.749 -16.155 21.546 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.250 -14.503 21.113 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -13.427 -11.955 22.386 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.916 -13.618 22.788 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.225 -13.110 23.008 1.00 0.00 H new ATOM 75 N ALA A 3 -10.478 -15.301 17.701 1.00 0.00 N ATOM 76 CA ALA A 3 -9.315 -14.779 16.992 1.00 0.00 C ATOM 77 C ALA A 3 -9.715 -13.742 15.938 1.00 0.00 C ATOM 78 O ALA A 3 -9.151 -12.649 15.901 1.00 0.00 O ATOM 79 CB ALA A 3 -8.526 -15.914 16.355 1.00 0.00 C ATOM 0 H ALA A 3 -10.823 -16.193 17.346 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.680 -14.277 17.722 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.662 -15.507 15.830 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.189 -16.602 17.130 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.162 -16.447 15.648 1.00 0.00 H new ATOM 85 N PRO A 4 -10.695 -14.062 15.063 1.00 0.00 N ATOM 86 CA PRO A 4 -11.142 -13.132 14.020 1.00 0.00 C ATOM 87 C PRO A 4 -11.941 -11.964 14.589 1.00 0.00 C ATOM 88 O PRO A 4 -12.226 -10.995 13.886 1.00 0.00 O ATOM 89 CB PRO A 4 -12.028 -14.001 13.126 1.00 0.00 C ATOM 90 CG PRO A 4 -12.537 -15.071 14.026 1.00 0.00 C ATOM 91 CD PRO A 4 -11.437 -15.339 15.016 1.00 0.00 C ATOM 0 HA PRO A 4 -10.303 -12.674 13.495 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.846 -13.422 12.696 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.462 -14.419 12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.449 -14.754 14.532 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.782 -15.971 13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.835 -15.608 15.995 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.799 -16.162 14.694 1.00 0.00 H new ATOM 99 N LEU A 5 -12.298 -12.063 15.865 1.00 0.00 N ATOM 100 CA LEU A 5 -13.064 -11.015 16.529 1.00 0.00 C ATOM 101 C LEU A 5 -12.135 -9.963 17.130 1.00 0.00 C ATOM 102 O LEU A 5 -12.333 -8.763 16.938 1.00 0.00 O ATOM 103 CB LEU A 5 -13.950 -11.615 17.623 1.00 0.00 C ATOM 104 CG LEU A 5 -14.823 -10.608 18.377 1.00 0.00 C ATOM 105 CD1 LEU A 5 -15.829 -9.960 17.436 1.00 0.00 C ATOM 106 CD2 LEU A 5 -15.537 -11.286 19.537 1.00 0.00 C ATOM 0 H LEU A 5 -12.069 -12.859 16.460 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.697 -10.534 15.784 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.597 -12.368 17.173 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -13.314 -12.131 18.342 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.177 -9.827 18.778 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -16.440 -9.248 17.991 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.298 -9.439 16.639 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.470 -10.728 17.004 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.153 -10.556 20.062 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.170 -12.088 19.156 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.800 -11.701 20.225 1.00 0.00 H new ATOM 118 N SER A 6 -11.120 -10.424 17.856 1.00 0.00 N ATOM 119 CA SER A 6 -10.160 -9.524 18.485 1.00 0.00 C ATOM 120 C SER A 6 -8.749 -10.095 18.404 1.00 0.00 C ATOM 121 O SER A 6 -8.566 -11.307 18.276 1.00 0.00 O ATOM 122 CB SER A 6 -10.541 -9.279 19.945 1.00 0.00 C ATOM 123 OG SER A 6 -10.559 -10.490 20.679 1.00 0.00 O ATOM 0 H SER A 6 -10.942 -11.414 18.023 1.00 0.00 H new ATOM 0 HA SER A 6 -10.181 -8.576 17.948 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.831 -8.587 20.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.522 -8.807 19.993 1.00 0.00 H new ATOM 0 HG SER A 6 -10.804 -10.305 21.610 1.00 0.00 H new ATOM 129 N VAL A 7 -7.755 -9.212 18.480 1.00 0.00 N ATOM 130 CA VAL A 7 -6.351 -9.613 18.418 1.00 0.00 C ATOM 131 C VAL A 7 -5.999 -10.191 17.049 1.00 0.00 C ATOM 132 O VAL A 7 -6.767 -10.960 16.470 1.00 0.00 O ATOM 133 CB VAL A 7 -6.009 -10.649 19.509 1.00 0.00 C ATOM 134 CG1 VAL A 7 -4.540 -11.040 19.437 1.00 0.00 C ATOM 135 CG2 VAL A 7 -6.354 -10.106 20.887 1.00 0.00 C ATOM 0 H VAL A 7 -7.898 -8.208 18.585 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.761 -8.713 18.589 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.608 -11.543 19.333 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.320 -11.771 20.215 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.326 -11.474 18.460 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.920 -10.155 19.585 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.106 -10.850 21.644 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.784 -9.196 21.073 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.420 -9.882 20.934 1.00 0.00 H new ATOM 145 N LYS A 8 -4.831 -9.813 16.539 1.00 0.00 N ATOM 146 CA LYS A 8 -4.367 -10.286 15.242 1.00 0.00 C ATOM 147 C LYS A 8 -2.931 -9.844 15.001 1.00 0.00 C ATOM 148 O LYS A 8 -2.570 -8.697 15.268 1.00 0.00 O ATOM 149 CB LYS A 8 -5.270 -9.763 14.123 1.00 0.00 C ATOM 150 CG LYS A 8 -4.887 -10.270 12.741 1.00 0.00 C ATOM 151 CD LYS A 8 -5.059 -11.777 12.629 1.00 0.00 C ATOM 152 CE LYS A 8 -4.687 -12.279 11.243 1.00 0.00 C ATOM 153 NZ LYS A 8 -5.534 -11.665 10.184 1.00 0.00 N ATOM 0 H LYS A 8 -4.186 -9.177 17.008 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.407 -11.375 15.241 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.300 -10.052 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.239 -8.673 14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.502 -9.776 11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.851 -10.005 12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.437 -12.272 13.375 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.093 -12.044 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.639 -12.055 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.793 -13.363 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.419 -12.195 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.531 -11.693 10.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.244 -10.677 10.037 1.00 0.00 H new ATOM 167 N ASP A 9 -2.116 -10.759 14.499 1.00 0.00 N ATOM 168 CA ASP A 9 -0.715 -10.465 14.222 1.00 0.00 C ATOM 169 C ASP A 9 -0.563 -9.802 12.860 1.00 0.00 C ATOM 170 O ASP A 9 -0.847 -10.410 11.827 1.00 0.00 O ATOM 171 CB ASP A 9 0.121 -11.743 14.272 1.00 0.00 C ATOM 172 CG ASP A 9 1.609 -11.463 14.205 1.00 0.00 C ATOM 173 OD1 ASP A 9 2.155 -11.420 13.083 1.00 0.00 O ATOM 174 OD2 ASP A 9 2.230 -11.287 15.275 1.00 0.00 O ATOM 0 H ASP A 9 -2.399 -11.713 14.274 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.357 -9.778 14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.103 -12.285 15.191 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.162 -12.391 13.443 1.00 0.00 H new ATOM 179 N ASN A 10 -0.114 -8.554 12.866 1.00 0.00 N ATOM 180 CA ASN A 10 0.072 -7.801 11.636 1.00 0.00 C ATOM 181 C ASN A 10 1.501 -7.300 11.493 1.00 0.00 C ATOM 182 O ASN A 10 2.311 -7.894 10.781 1.00 0.00 O ATOM 183 CB ASN A 10 -0.890 -6.618 11.602 1.00 0.00 C ATOM 184 CG ASN A 10 -1.408 -6.236 12.974 1.00 0.00 C ATOM 185 OD1 ASN A 10 -2.394 -6.795 13.456 1.00 0.00 O ATOM 186 ND2 ASN A 10 -0.751 -5.269 13.606 1.00 0.00 N ATOM 0 H ASN A 10 0.129 -8.041 13.714 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.135 -8.472 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.386 -5.760 11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.734 -6.861 10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -1.059 -4.962 14.529 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.061 -4.834 13.168 1.00 0.00 H new ATOM 193 N ASP A 11 1.781 -6.195 12.170 1.00 0.00 N ATOM 194 CA ASP A 11 3.093 -5.562 12.151 1.00 0.00 C ATOM 195 C ASP A 11 4.204 -6.581 11.947 1.00 0.00 C ATOM 196 O ASP A 11 4.551 -7.333 12.856 1.00 0.00 O ATOM 197 CB ASP A 11 3.324 -4.800 13.453 1.00 0.00 C ATOM 198 CG ASP A 11 2.117 -3.985 13.876 1.00 0.00 C ATOM 199 OD1 ASP A 11 1.854 -2.940 13.246 1.00 0.00 O ATOM 200 OD2 ASP A 11 1.436 -4.392 14.840 1.00 0.00 O ATOM 0 H ASP A 11 1.099 -5.709 12.752 1.00 0.00 H new ATOM 0 HA ASP A 11 3.115 -4.868 11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.575 -5.507 14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.181 -4.137 13.334 1.00 0.00 H new ATOM 205 N LYS A 12 4.743 -6.607 10.737 1.00 0.00 N ATOM 206 CA LYS A 12 5.820 -7.517 10.393 1.00 0.00 C ATOM 207 C LYS A 12 7.176 -6.845 10.599 1.00 0.00 C ATOM 208 O LYS A 12 7.714 -6.209 9.692 1.00 0.00 O ATOM 209 CB LYS A 12 5.666 -7.982 8.942 1.00 0.00 C ATOM 210 CG LYS A 12 6.849 -8.780 8.425 1.00 0.00 C ATOM 211 CD LYS A 12 6.722 -10.265 8.739 1.00 0.00 C ATOM 212 CE LYS A 12 7.001 -10.563 10.204 1.00 0.00 C ATOM 213 NZ LYS A 12 6.958 -12.024 10.492 1.00 0.00 N ATOM 0 H LYS A 12 4.447 -6.001 9.972 1.00 0.00 H new ATOM 0 HA LYS A 12 5.769 -8.386 11.048 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.765 -8.590 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.522 -7.110 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.933 -8.644 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.767 -8.394 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.718 -10.605 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.417 -10.828 8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.980 -10.168 10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.268 -10.049 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.153 -12.185 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.016 -12.396 10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.675 -12.512 9.918 1.00 0.00 H new ATOM 227 N TRP A 13 7.716 -6.983 11.805 1.00 0.00 N ATOM 228 CA TRP A 13 9.001 -6.399 12.154 1.00 0.00 C ATOM 229 C TRP A 13 10.139 -7.239 11.587 1.00 0.00 C ATOM 230 O TRP A 13 10.490 -8.277 12.148 1.00 0.00 O ATOM 231 CB TRP A 13 9.105 -6.289 13.676 1.00 0.00 C ATOM 232 CG TRP A 13 7.803 -5.896 14.319 1.00 0.00 C ATOM 233 CD1 TRP A 13 6.763 -6.727 14.625 1.00 0.00 C ATOM 234 CD2 TRP A 13 7.398 -4.581 14.725 1.00 0.00 C ATOM 235 NE1 TRP A 13 5.729 -6.008 15.174 1.00 0.00 N ATOM 236 CE2 TRP A 13 6.094 -4.691 15.251 1.00 0.00 C ATOM 237 CE3 TRP A 13 8.005 -3.324 14.693 1.00 0.00 C ATOM 238 CZ2 TRP A 13 5.387 -3.590 15.734 1.00 0.00 C ATOM 239 CZ3 TRP A 13 7.305 -2.233 15.178 1.00 0.00 C ATOM 240 CH2 TRP A 13 6.008 -2.371 15.689 1.00 0.00 C ATOM 0 H TRP A 13 7.275 -7.502 12.564 1.00 0.00 H new ATOM 0 HA TRP A 13 9.079 -5.402 11.721 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.433 -7.245 14.084 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.868 -5.554 13.932 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.755 -7.794 14.459 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.834 -6.393 15.475 1.00 0.00 H new ATOM 0 HE3 TRP A 13 9.003 -3.205 14.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 4.387 -3.695 16.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 7.767 -1.257 15.162 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.488 -1.498 16.055 1.00 0.00 H new ATOM 251 N VAL A 14 10.718 -6.785 10.472 1.00 0.00 N ATOM 252 CA VAL A 14 11.804 -7.530 9.832 1.00 0.00 C ATOM 253 C VAL A 14 12.783 -6.615 9.117 1.00 0.00 C ATOM 254 O VAL A 14 12.676 -5.394 9.181 1.00 0.00 O ATOM 255 CB VAL A 14 11.261 -8.551 8.810 1.00 0.00 C ATOM 256 CG1 VAL A 14 10.481 -9.655 9.509 1.00 0.00 C ATOM 257 CG2 VAL A 14 10.401 -7.857 7.765 1.00 0.00 C ATOM 0 H VAL A 14 10.458 -5.919 10.000 1.00 0.00 H new ATOM 0 HA VAL A 14 12.323 -8.050 10.637 1.00 0.00 H new ATOM 0 HB VAL A 14 12.110 -9.010 8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.108 -10.362 8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.134 -10.174 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.641 -9.220 10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.028 -8.594 7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.560 -7.366 8.254 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.999 -7.114 7.237 1.00 0.00 H new ATOM 267 N ASP A 15 13.740 -7.239 8.440 1.00 0.00 N ATOM 268 CA ASP A 15 14.764 -6.527 7.690 1.00 0.00 C ATOM 269 C ASP A 15 14.408 -6.496 6.206 1.00 0.00 C ATOM 270 O ASP A 15 13.323 -6.931 5.819 1.00 0.00 O ATOM 271 CB ASP A 15 16.111 -7.211 7.899 1.00 0.00 C ATOM 272 CG ASP A 15 16.877 -6.642 9.076 1.00 0.00 C ATOM 273 OD1 ASP A 15 16.624 -7.082 10.217 1.00 0.00 O ATOM 274 OD2 ASP A 15 17.730 -5.758 8.856 1.00 0.00 O ATOM 0 H ASP A 15 13.827 -8.254 8.397 1.00 0.00 H new ATOM 0 HA ASP A 15 14.824 -5.499 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 15 15.952 -8.278 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 15 16.711 -7.107 6.995 1.00 0.00 H new ATOM 279 N THR A 16 15.317 -5.989 5.374 1.00 0.00 N ATOM 280 CA THR A 16 15.060 -5.916 3.939 1.00 0.00 C ATOM 281 C THR A 16 16.279 -5.430 3.159 1.00 0.00 C ATOM 282 O THR A 16 17.353 -5.218 3.721 1.00 0.00 O ATOM 283 CB THR A 16 13.872 -4.980 3.639 1.00 0.00 C ATOM 284 OG1 THR A 16 13.247 -5.357 2.407 1.00 0.00 O ATOM 285 CG2 THR A 16 14.320 -3.529 3.557 1.00 0.00 C ATOM 0 H THR A 16 16.225 -5.628 5.665 1.00 0.00 H new ATOM 0 HA THR A 16 14.824 -6.930 3.617 1.00 0.00 H new ATOM 0 HB THR A 16 13.158 -5.075 4.457 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.411 -4.666 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.460 -2.894 3.344 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.765 -3.231 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.057 -3.420 2.761 1.00 0.00 H new ATOM 293 N HIS A 17 16.088 -5.255 1.852 1.00 0.00 N ATOM 294 CA HIS A 17 17.142 -4.780 0.965 1.00 0.00 C ATOM 295 C HIS A 17 16.746 -3.435 0.362 1.00 0.00 C ATOM 296 O HIS A 17 15.851 -2.768 0.870 1.00 0.00 O ATOM 297 CB HIS A 17 17.398 -5.803 -0.141 1.00 0.00 C ATOM 298 CG HIS A 17 18.121 -7.027 0.328 1.00 0.00 C ATOM 299 ND1 HIS A 17 17.486 -8.221 0.593 1.00 0.00 N ATOM 300 CD2 HIS A 17 19.435 -7.238 0.577 1.00 0.00 C ATOM 301 CE1 HIS A 17 18.378 -9.114 0.987 1.00 0.00 C ATOM 302 NE2 HIS A 17 19.568 -8.543 0.985 1.00 0.00 N ATOM 0 H HIS A 17 15.201 -5.438 1.383 1.00 0.00 H new ATOM 0 HA HIS A 17 18.060 -4.652 1.539 1.00 0.00 H new ATOM 0 HB2 HIS A 17 16.444 -6.100 -0.577 1.00 0.00 H new ATOM 0 HB3 HIS A 17 17.978 -5.331 -0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 17 20.231 -6.515 0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 17 18.168 -10.137 1.263 1.00 0.00 H new ATOM 0 HE2 HIS A 17 20.444 -8.997 1.244 1.00 0.00 H new ATOM 311 N VAL A 18 17.404 -3.040 -0.722 1.00 0.00 N ATOM 312 CA VAL A 18 17.094 -1.766 -1.364 1.00 0.00 C ATOM 313 C VAL A 18 16.213 -1.956 -2.594 1.00 0.00 C ATOM 314 O VAL A 18 16.571 -2.675 -3.527 1.00 0.00 O ATOM 315 CB VAL A 18 18.372 -1.008 -1.772 1.00 0.00 C ATOM 316 CG1 VAL A 18 18.024 0.364 -2.334 1.00 0.00 C ATOM 317 CG2 VAL A 18 19.320 -0.885 -0.590 1.00 0.00 C ATOM 0 H VAL A 18 18.147 -3.575 -1.171 1.00 0.00 H new ATOM 0 HA VAL A 18 16.552 -1.175 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 18 18.876 -1.577 -2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 18 18.939 0.884 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 18 17.387 0.247 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 18 17.496 0.944 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 18 20.217 -0.347 -0.897 1.00 0.00 H new ATOM 0 HG22 VAL A 18 18.828 -0.340 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 18 19.596 -1.880 -0.240 1.00 0.00 H new ATOM 327 N GLY A 19 15.057 -1.301 -2.579 1.00 0.00 N ATOM 328 CA GLY A 19 14.125 -1.388 -3.687 1.00 0.00 C ATOM 329 C GLY A 19 13.590 -2.785 -3.905 1.00 0.00 C ATOM 330 O GLY A 19 12.960 -3.055 -4.927 1.00 0.00 O ATOM 0 H GLY A 19 14.747 -0.706 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.291 -0.710 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.620 -1.049 -4.597 1.00 0.00 H new ATOM 334 N LYS A 20 13.849 -3.683 -2.957 1.00 0.00 N ATOM 335 CA LYS A 20 13.360 -5.049 -3.065 1.00 0.00 C ATOM 336 C LYS A 20 11.838 -5.044 -3.067 1.00 0.00 C ATOM 337 O LYS A 20 11.202 -5.208 -2.026 1.00 0.00 O ATOM 338 CB LYS A 20 13.891 -5.903 -1.914 1.00 0.00 C ATOM 339 CG LYS A 20 14.247 -7.317 -2.325 1.00 0.00 C ATOM 340 CD LYS A 20 15.671 -7.375 -2.834 1.00 0.00 C ATOM 341 CE LYS A 20 16.162 -8.807 -2.972 1.00 0.00 C ATOM 342 NZ LYS A 20 15.328 -9.592 -3.922 1.00 0.00 N ATOM 0 H LYS A 20 14.390 -3.489 -2.114 1.00 0.00 H new ATOM 0 HA LYS A 20 13.718 -5.483 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.774 -5.422 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.141 -5.941 -1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.130 -7.990 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.562 -7.660 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.732 -6.875 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.324 -6.831 -2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.197 -8.804 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.151 -9.290 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.754 -10.530 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.370 -9.703 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.276 -9.093 -4.833 1.00 0.00 H new ATOM 356 N THR A 21 11.267 -4.833 -4.249 1.00 0.00 N ATOM 357 CA THR A 21 9.821 -4.771 -4.414 1.00 0.00 C ATOM 358 C THR A 21 9.118 -5.899 -3.671 1.00 0.00 C ATOM 359 O THR A 21 9.070 -7.036 -4.141 1.00 0.00 O ATOM 360 CB THR A 21 9.428 -4.828 -5.901 1.00 0.00 C ATOM 361 OG1 THR A 21 10.258 -3.944 -6.662 1.00 0.00 O ATOM 362 CG2 THR A 21 7.969 -4.438 -6.085 1.00 0.00 C ATOM 0 H THR A 21 11.791 -4.701 -5.114 1.00 0.00 H new ATOM 0 HA THR A 21 9.501 -3.819 -3.990 1.00 0.00 H new ATOM 0 HB THR A 21 9.567 -5.850 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.002 -3.988 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.711 -4.484 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.335 -5.126 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.815 -3.423 -5.718 1.00 0.00 H new ATOM 370 N THR A 22 8.574 -5.573 -2.503 1.00 0.00 N ATOM 371 CA THR A 22 7.860 -6.549 -1.693 1.00 0.00 C ATOM 372 C THR A 22 6.378 -6.533 -2.033 1.00 0.00 C ATOM 373 O THR A 22 5.643 -5.631 -1.628 1.00 0.00 O ATOM 374 CB THR A 22 8.052 -6.283 -0.187 1.00 0.00 C ATOM 375 OG1 THR A 22 9.433 -6.432 0.165 1.00 0.00 O ATOM 376 CG2 THR A 22 7.207 -7.233 0.653 1.00 0.00 C ATOM 0 H THR A 22 8.615 -4.638 -2.097 1.00 0.00 H new ATOM 0 HA THR A 22 8.274 -7.532 -1.920 1.00 0.00 H new ATOM 0 HB THR A 22 7.729 -5.262 0.017 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.990 -5.959 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.364 -7.021 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.154 -7.097 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.498 -8.262 0.442 1.00 0.00 H new ATOM 384 N GLU A 23 5.959 -7.534 -2.800 1.00 0.00 N ATOM 385 CA GLU A 23 4.581 -7.667 -3.221 1.00 0.00 C ATOM 386 C GLU A 23 3.755 -8.412 -2.184 1.00 0.00 C ATOM 387 O GLU A 23 4.157 -9.466 -1.691 1.00 0.00 O ATOM 388 CB GLU A 23 4.535 -8.410 -4.549 1.00 0.00 C ATOM 389 CG GLU A 23 3.134 -8.559 -5.100 1.00 0.00 C ATOM 390 CD GLU A 23 3.116 -9.117 -6.510 1.00 0.00 C ATOM 391 OE1 GLU A 23 3.215 -10.353 -6.662 1.00 0.00 O ATOM 392 OE2 GLU A 23 3.002 -8.317 -7.463 1.00 0.00 O ATOM 0 H GLU A 23 6.571 -8.274 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 23 4.155 -6.670 -3.334 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.150 -7.880 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.975 -9.399 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.559 -9.215 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.639 -7.588 -5.092 1.00 0.00 H new ATOM 399 N ILE A 24 2.597 -7.853 -1.859 1.00 0.00 N ATOM 400 CA ILE A 24 1.704 -8.460 -0.888 1.00 0.00 C ATOM 401 C ILE A 24 0.252 -8.356 -1.328 1.00 0.00 C ATOM 402 O ILE A 24 -0.353 -7.286 -1.257 1.00 0.00 O ATOM 403 CB ILE A 24 1.843 -7.794 0.488 1.00 0.00 C ATOM 404 CG1 ILE A 24 3.305 -7.798 0.936 1.00 0.00 C ATOM 405 CG2 ILE A 24 0.957 -8.502 1.504 1.00 0.00 C ATOM 406 CD1 ILE A 24 3.528 -7.205 2.310 1.00 0.00 C ATOM 0 H ILE A 24 2.256 -6.978 -2.256 1.00 0.00 H new ATOM 0 HA ILE A 24 1.988 -9.510 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 24 1.517 -6.757 0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.674 -8.824 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.898 -7.242 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.063 -8.022 2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.083 -8.445 1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.256 -9.547 1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.589 -7.244 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.192 -6.168 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.964 -7.775 3.048 1.00 0.00 H new ATOM 418 N HIS A 25 -0.299 -9.469 -1.788 1.00 0.00 N ATOM 419 CA HIS A 25 -1.687 -9.509 -2.214 1.00 0.00 C ATOM 420 C HIS A 25 -2.596 -9.620 -0.998 1.00 0.00 C ATOM 421 O HIS A 25 -2.836 -10.714 -0.485 1.00 0.00 O ATOM 422 CB HIS A 25 -1.927 -10.687 -3.154 1.00 0.00 C ATOM 423 CG HIS A 25 -0.853 -10.868 -4.179 1.00 0.00 C ATOM 424 ND1 HIS A 25 -0.139 -12.040 -4.324 1.00 0.00 N ATOM 425 CD2 HIS A 25 -0.374 -10.021 -5.120 1.00 0.00 C ATOM 426 CE1 HIS A 25 0.732 -11.904 -5.308 1.00 0.00 C ATOM 427 NE2 HIS A 25 0.608 -10.688 -5.808 1.00 0.00 N ATOM 0 H HIS A 25 0.196 -10.357 -1.875 1.00 0.00 H new ATOM 0 HA HIS A 25 -1.914 -8.588 -2.751 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.011 -11.600 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -2.881 -10.547 -3.662 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.264 -12.880 -3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.704 -9.008 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.427 -12.659 -5.646 1.00 0.00 H new ATOM 436 N LEU A 26 -3.093 -8.480 -0.539 1.00 0.00 N ATOM 437 CA LEU A 26 -3.964 -8.441 0.627 1.00 0.00 C ATOM 438 C LEU A 26 -5.413 -8.613 0.212 1.00 0.00 C ATOM 439 O LEU A 26 -5.827 -8.117 -0.828 1.00 0.00 O ATOM 440 CB LEU A 26 -3.803 -7.116 1.364 1.00 0.00 C ATOM 441 CG LEU A 26 -2.379 -6.780 1.812 1.00 0.00 C ATOM 442 CD1 LEU A 26 -2.271 -5.309 2.182 1.00 0.00 C ATOM 443 CD2 LEU A 26 -1.966 -7.654 2.988 1.00 0.00 C ATOM 0 H LEU A 26 -2.907 -7.568 -0.957 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.682 -9.259 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.160 -6.315 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.448 -7.128 2.242 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.703 -6.980 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.252 -5.087 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.524 -4.697 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.960 -5.087 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.950 -7.400 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.647 -7.487 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.005 -8.703 2.693 1.00 0.00 H new ATOM 455 N LYS A 27 -6.183 -9.301 1.034 1.00 0.00 N ATOM 456 CA LYS A 27 -7.587 -9.528 0.733 1.00 0.00 C ATOM 457 C LYS A 27 -8.460 -8.510 1.450 1.00 0.00 C ATOM 458 O LYS A 27 -8.004 -7.815 2.359 1.00 0.00 O ATOM 459 CB LYS A 27 -7.998 -10.946 1.120 1.00 0.00 C ATOM 460 CG LYS A 27 -7.023 -12.008 0.638 1.00 0.00 C ATOM 461 CD LYS A 27 -7.583 -13.409 0.830 1.00 0.00 C ATOM 462 CE LYS A 27 -6.608 -14.469 0.345 1.00 0.00 C ATOM 463 NZ LYS A 27 -7.149 -15.845 0.523 1.00 0.00 N ATOM 0 H LYS A 27 -5.864 -9.711 1.912 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.728 -9.409 -0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.085 -11.008 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.985 -11.156 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.799 -11.846 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.083 -11.913 1.181 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.805 -13.572 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.524 -13.503 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.383 -14.301 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.669 -14.375 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.454 -16.538 0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.340 -16.015 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.032 -15.944 -0.018 1.00 0.00 H new ATOM 477 N GLY A 28 -9.717 -8.429 1.038 1.00 0.00 N ATOM 478 CA GLY A 28 -10.635 -7.485 1.643 1.00 0.00 C ATOM 479 C GLY A 28 -11.966 -7.427 0.921 1.00 0.00 C ATOM 480 O GLY A 28 -12.396 -8.412 0.322 1.00 0.00 O ATOM 0 H GLY A 28 -10.118 -9.001 0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.802 -7.761 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.183 -6.493 1.645 1.00 0.00 H new ATOM 484 N ASN A 29 -12.614 -6.267 0.975 1.00 0.00 N ATOM 485 CA ASN A 29 -13.905 -6.077 0.324 1.00 0.00 C ATOM 486 C ASN A 29 -14.367 -4.625 0.462 1.00 0.00 C ATOM 487 O ASN A 29 -14.946 -4.249 1.480 1.00 0.00 O ATOM 488 CB ASN A 29 -14.947 -7.019 0.932 1.00 0.00 C ATOM 489 CG ASN A 29 -16.261 -6.997 0.178 1.00 0.00 C ATOM 490 OD1 ASN A 29 -16.295 -6.751 -1.027 1.00 0.00 O ATOM 491 ND2 ASN A 29 -17.354 -7.259 0.887 1.00 0.00 N ATOM 0 H ASN A 29 -12.265 -5.443 1.464 1.00 0.00 H new ATOM 0 HA ASN A 29 -13.794 -6.308 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.553 -8.035 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.123 -6.739 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -18.268 -7.261 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.279 -7.458 1.885 1.00 0.00 H new ATOM 498 N PRO A 30 -14.111 -3.786 -0.562 1.00 0.00 N ATOM 499 CA PRO A 30 -14.497 -2.368 -0.544 1.00 0.00 C ATOM 500 C PRO A 30 -15.989 -2.156 -0.307 1.00 0.00 C ATOM 501 O PRO A 30 -16.418 -1.054 0.032 1.00 0.00 O ATOM 502 CB PRO A 30 -14.103 -1.860 -1.938 1.00 0.00 C ATOM 503 CG PRO A 30 -13.897 -3.084 -2.764 1.00 0.00 C ATOM 504 CD PRO A 30 -13.426 -4.145 -1.813 1.00 0.00 C ATOM 0 HA PRO A 30 -14.007 -1.839 0.273 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.884 -1.228 -2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.195 -1.258 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -14.822 -3.383 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.161 -2.907 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -13.700 -5.144 -2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.342 -4.134 -1.699 1.00 0.00 H new ATOM 512 N THR A 31 -16.779 -3.211 -0.487 1.00 0.00 N ATOM 513 CA THR A 31 -18.221 -3.119 -0.294 1.00 0.00 C ATOM 514 C THR A 31 -18.597 -3.266 1.177 1.00 0.00 C ATOM 515 O THR A 31 -19.776 -3.381 1.516 1.00 0.00 O ATOM 516 CB THR A 31 -18.968 -4.187 -1.114 1.00 0.00 C ATOM 517 OG1 THR A 31 -18.605 -5.496 -0.664 1.00 0.00 O ATOM 518 CG2 THR A 31 -18.651 -4.050 -2.597 1.00 0.00 C ATOM 0 H THR A 31 -16.446 -4.134 -0.765 1.00 0.00 H new ATOM 0 HA THR A 31 -18.520 -2.130 -0.641 1.00 0.00 H new ATOM 0 HB THR A 31 -20.038 -4.039 -0.971 1.00 0.00 H new ATOM 0 HG1 THR A 31 -17.828 -5.812 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.190 -4.815 -3.156 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.957 -3.063 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.579 -4.174 -2.753 1.00 0.00 H new ATOM 526 N THR A 32 -17.593 -3.260 2.050 1.00 0.00 N ATOM 527 CA THR A 32 -17.829 -3.388 3.484 1.00 0.00 C ATOM 528 C THR A 32 -17.829 -2.023 4.163 1.00 0.00 C ATOM 529 O THR A 32 -18.829 -1.614 4.754 1.00 0.00 O ATOM 530 CB THR A 32 -16.772 -4.282 4.161 1.00 0.00 C ATOM 531 OG1 THR A 32 -15.464 -3.736 3.960 1.00 0.00 O ATOM 532 CG2 THR A 32 -16.829 -5.698 3.608 1.00 0.00 C ATOM 0 H THR A 32 -16.611 -3.168 1.790 1.00 0.00 H new ATOM 0 HA THR A 32 -18.808 -3.853 3.597 1.00 0.00 H new ATOM 0 HB THR A 32 -16.987 -4.317 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.087 -4.089 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.074 -6.311 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.817 -6.121 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.637 -5.678 2.535 1.00 0.00 H new ATOM 540 N GLY A 33 -16.704 -1.321 4.075 1.00 0.00 N ATOM 541 CA GLY A 33 -16.601 -0.010 4.684 1.00 0.00 C ATOM 542 C GLY A 33 -15.165 0.431 4.898 1.00 0.00 C ATOM 543 O GLY A 33 -14.875 1.627 4.913 1.00 0.00 O ATOM 0 H GLY A 33 -15.863 -1.637 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.109 0.719 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.120 -0.019 5.643 1.00 0.00 H new ATOM 547 N TYR A 34 -14.262 -0.534 5.063 1.00 0.00 N ATOM 548 CA TYR A 34 -12.853 -0.224 5.281 1.00 0.00 C ATOM 549 C TYR A 34 -12.027 -0.437 4.014 1.00 0.00 C ATOM 550 O TYR A 34 -12.533 -0.911 2.997 1.00 0.00 O ATOM 551 CB TYR A 34 -12.285 -1.072 6.420 1.00 0.00 C ATOM 552 CG TYR A 34 -12.851 -0.735 7.782 1.00 0.00 C ATOM 553 CD1 TYR A 34 -14.053 -1.287 8.209 1.00 0.00 C ATOM 554 CD2 TYR A 34 -12.184 0.131 8.645 1.00 0.00 C ATOM 555 CE1 TYR A 34 -14.574 -0.989 9.454 1.00 0.00 C ATOM 556 CE2 TYR A 34 -12.701 0.433 9.891 1.00 0.00 C ATOM 557 CZ TYR A 34 -13.894 -0.130 10.290 1.00 0.00 C ATOM 558 OH TYR A 34 -14.410 0.169 11.530 1.00 0.00 O ATOM 0 H TYR A 34 -14.480 -1.530 5.050 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.791 0.830 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -12.479 -2.123 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.203 -0.947 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.589 -1.960 7.557 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.248 0.573 8.336 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -15.509 -1.427 9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.172 1.107 10.549 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.808 0.788 11.994 1.00 0.00 H new ATOM 568 N MET A 35 -10.748 -0.078 4.096 1.00 0.00 N ATOM 569 CA MET A 35 -9.826 -0.203 2.990 1.00 0.00 C ATOM 570 C MET A 35 -8.431 -0.501 3.508 1.00 0.00 C ATOM 571 O MET A 35 -8.057 -0.063 4.595 1.00 0.00 O ATOM 572 CB MET A 35 -9.795 1.104 2.202 1.00 0.00 C ATOM 573 CG MET A 35 -8.470 1.366 1.510 1.00 0.00 C ATOM 574 SD MET A 35 -8.362 3.022 0.791 1.00 0.00 S ATOM 575 CE MET A 35 -9.795 3.053 -0.284 1.00 0.00 C ATOM 0 H MET A 35 -10.328 0.309 4.941 1.00 0.00 H new ATOM 0 HA MET A 35 -10.155 -1.018 2.345 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.588 1.087 1.455 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.012 1.931 2.878 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.660 1.234 2.227 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.324 0.625 0.724 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.219 4.057 -0.296 1.00 0.00 H new ATOM 0 HE2 MET A 35 -9.498 2.773 -1.295 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.541 2.348 0.084 1.00 0.00 H new ATOM 585 N TRP A 36 -7.664 -1.235 2.727 1.00 0.00 N ATOM 586 CA TRP A 36 -6.298 -1.552 3.100 1.00 0.00 C ATOM 587 C TRP A 36 -5.365 -0.524 2.485 1.00 0.00 C ATOM 588 O TRP A 36 -4.760 -0.752 1.436 1.00 0.00 O ATOM 589 CB TRP A 36 -5.926 -2.957 2.653 1.00 0.00 C ATOM 590 CG TRP A 36 -6.114 -3.981 3.730 1.00 0.00 C ATOM 591 CD1 TRP A 36 -6.977 -5.040 3.718 1.00 0.00 C ATOM 592 CD2 TRP A 36 -5.435 -4.030 4.986 1.00 0.00 C ATOM 593 NE1 TRP A 36 -6.869 -5.748 4.890 1.00 0.00 N ATOM 594 CE2 TRP A 36 -5.929 -5.148 5.684 1.00 0.00 C ATOM 595 CE3 TRP A 36 -4.453 -3.240 5.586 1.00 0.00 C ATOM 596 CZ2 TRP A 36 -5.475 -5.491 6.954 1.00 0.00 C ATOM 597 CZ3 TRP A 36 -4.003 -3.581 6.846 1.00 0.00 C ATOM 598 CH2 TRP A 36 -4.513 -4.699 7.518 1.00 0.00 C ATOM 0 H TRP A 36 -7.961 -1.623 1.832 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.205 -1.520 4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.532 -3.230 1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.886 -2.966 2.328 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.646 -5.285 2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.402 -6.584 5.130 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.052 -2.378 5.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.868 -6.351 7.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.245 -2.976 7.321 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.139 -4.941 8.502 1.00 0.00 H new ATOM 609 N THR A 37 -5.267 0.615 3.153 1.00 0.00 N ATOM 610 CA THR A 37 -4.455 1.725 2.680 1.00 0.00 C ATOM 611 C THR A 37 -3.447 2.176 3.741 1.00 0.00 C ATOM 612 O THR A 37 -3.724 2.100 4.938 1.00 0.00 O ATOM 613 CB THR A 37 -5.382 2.901 2.311 1.00 0.00 C ATOM 614 OG1 THR A 37 -4.622 4.090 2.101 1.00 0.00 O ATOM 615 CG2 THR A 37 -6.390 3.151 3.418 1.00 0.00 C ATOM 0 H THR A 37 -5.746 0.796 4.035 1.00 0.00 H new ATOM 0 HA THR A 37 -3.893 1.395 1.806 1.00 0.00 H new ATOM 0 HB THR A 37 -5.907 2.638 1.393 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.263 4.092 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.036 3.984 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.995 2.257 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.864 3.392 4.342 1.00 0.00 H new ATOM 623 N ARG A 38 -2.272 2.635 3.295 1.00 0.00 N ATOM 624 CA ARG A 38 -1.233 3.106 4.206 1.00 0.00 C ATOM 625 C ARG A 38 -1.788 4.165 5.152 1.00 0.00 C ATOM 626 O ARG A 38 -2.949 4.562 5.048 1.00 0.00 O ATOM 627 CB ARG A 38 -0.045 3.691 3.428 1.00 0.00 C ATOM 628 CG ARG A 38 0.779 2.674 2.652 1.00 0.00 C ATOM 629 CD ARG A 38 1.989 3.333 1.995 1.00 0.00 C ATOM 630 NE ARG A 38 1.983 4.783 2.171 1.00 0.00 N ATOM 631 CZ ARG A 38 2.664 5.409 3.129 1.00 0.00 C ATOM 632 NH1 ARG A 38 3.431 4.717 3.960 1.00 0.00 N ATOM 633 NH2 ARG A 38 2.578 6.725 3.257 1.00 0.00 N ATOM 0 H ARG A 38 -2.021 2.689 2.308 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.889 2.250 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.420 4.440 2.731 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.610 4.208 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.112 1.883 3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.158 2.204 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.903 2.920 2.421 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.998 3.097 0.931 1.00 0.00 H new ATOM 0 HE ARG A 38 1.428 5.346 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.500 3.704 3.866 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.952 5.198 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.989 7.262 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.101 7.201 3.992 1.00 0.00 H new ATOM 647 N VAL A 39 -0.948 4.631 6.066 1.00 0.00 N ATOM 648 CA VAL A 39 -1.360 5.642 7.031 1.00 0.00 C ATOM 649 C VAL A 39 -1.300 7.039 6.435 1.00 0.00 C ATOM 650 O VAL A 39 -0.227 7.629 6.309 1.00 0.00 O ATOM 651 CB VAL A 39 -0.487 5.600 8.295 1.00 0.00 C ATOM 652 CG1 VAL A 39 -0.993 6.589 9.333 1.00 0.00 C ATOM 653 CG2 VAL A 39 -0.456 4.193 8.856 1.00 0.00 C ATOM 0 H VAL A 39 0.021 4.326 6.160 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.391 5.413 7.300 1.00 0.00 H new ATOM 0 HB VAL A 39 0.530 5.890 8.029 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.360 6.542 10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.964 7.597 8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.018 6.338 9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.165 4.172 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.469 3.880 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.042 3.513 8.111 1.00 0.00 H new ATOM 663 N GLY A 40 -2.462 7.559 6.065 1.00 0.00 N ATOM 664 CA GLY A 40 -2.529 8.892 5.499 1.00 0.00 C ATOM 665 C GLY A 40 -2.692 8.902 3.991 1.00 0.00 C ATOM 666 O GLY A 40 -2.998 9.944 3.411 1.00 0.00 O ATOM 0 H GLY A 40 -3.360 7.082 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.364 9.428 5.950 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.622 9.436 5.762 1.00 0.00 H new ATOM 670 N PHE A 41 -2.491 7.755 3.344 1.00 0.00 N ATOM 671 CA PHE A 41 -2.624 7.690 1.897 1.00 0.00 C ATOM 672 C PHE A 41 -4.087 7.741 1.492 1.00 0.00 C ATOM 673 O PHE A 41 -4.431 8.441 0.547 1.00 0.00 O ATOM 674 CB PHE A 41 -1.861 6.463 1.336 1.00 0.00 C ATOM 675 CG PHE A 41 -2.633 5.378 0.596 1.00 0.00 C ATOM 676 CD1 PHE A 41 -3.697 5.649 -0.259 1.00 0.00 C ATOM 677 CD2 PHE A 41 -2.233 4.061 0.736 1.00 0.00 C ATOM 678 CE1 PHE A 41 -4.340 4.634 -0.942 1.00 0.00 C ATOM 679 CE2 PHE A 41 -2.876 3.040 0.059 1.00 0.00 C ATOM 680 CZ PHE A 41 -3.930 3.328 -0.782 1.00 0.00 C ATOM 0 H PHE A 41 -2.240 6.874 3.793 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.158 8.566 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.092 6.837 0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.347 5.987 2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.026 6.669 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.403 3.825 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.164 4.864 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.552 2.018 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.432 2.533 -1.313 1.00 0.00 H new ATOM 690 N VAL A 42 -4.946 7.021 2.219 1.00 0.00 N ATOM 691 CA VAL A 42 -6.380 7.000 1.918 1.00 0.00 C ATOM 692 C VAL A 42 -6.816 8.296 1.215 1.00 0.00 C ATOM 693 O VAL A 42 -7.182 9.279 1.861 1.00 0.00 O ATOM 694 CB VAL A 42 -7.212 6.792 3.204 1.00 0.00 C ATOM 695 CG1 VAL A 42 -6.799 7.782 4.284 1.00 0.00 C ATOM 696 CG2 VAL A 42 -8.699 6.900 2.906 1.00 0.00 C ATOM 0 H VAL A 42 -4.675 6.447 3.017 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.562 6.162 1.245 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.014 5.787 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.399 7.615 5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.745 7.641 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.957 8.799 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.266 6.750 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.918 7.888 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.980 6.139 2.178 1.00 0.00 H new ATOM 706 N GLY A 43 -6.759 8.287 -0.119 1.00 0.00 N ATOM 707 CA GLY A 43 -7.115 9.466 -0.894 1.00 0.00 C ATOM 708 C GLY A 43 -5.910 10.365 -1.133 1.00 0.00 C ATOM 709 O GLY A 43 -5.966 11.571 -0.898 1.00 0.00 O ATOM 0 H GLY A 43 -6.472 7.482 -0.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.536 9.159 -1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.889 10.026 -0.370 1.00 0.00 H new ATOM 713 N LYS A 44 -4.818 9.763 -1.606 1.00 0.00 N ATOM 714 CA LYS A 44 -3.571 10.478 -1.859 1.00 0.00 C ATOM 715 C LYS A 44 -3.242 10.561 -3.350 1.00 0.00 C ATOM 716 O LYS A 44 -4.098 10.362 -4.211 1.00 0.00 O ATOM 717 CB LYS A 44 -2.435 9.728 -1.157 1.00 0.00 C ATOM 718 CG LYS A 44 -2.406 8.242 -1.485 1.00 0.00 C ATOM 719 CD LYS A 44 -1.867 7.948 -2.874 1.00 0.00 C ATOM 720 CE LYS A 44 -2.825 7.076 -3.674 1.00 0.00 C ATOM 721 NZ LYS A 44 -4.149 7.727 -3.869 1.00 0.00 N ATOM 0 H LYS A 44 -4.775 8.767 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.684 11.494 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.483 10.175 -1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.537 9.854 -0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.792 7.725 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.415 7.838 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.697 8.885 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.902 7.449 -2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.385 6.853 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.962 6.124 -3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.707 7.180 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.655 7.763 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.011 8.694 -4.227 1.00 0.00 H new ATOM 735 N ASP A 45 -1.977 10.881 -3.623 1.00 0.00 N ATOM 736 CA ASP A 45 -1.441 10.936 -4.969 1.00 0.00 C ATOM 737 C ASP A 45 -0.367 9.856 -5.094 1.00 0.00 C ATOM 738 O ASP A 45 -0.167 9.260 -6.153 1.00 0.00 O ATOM 739 CB ASP A 45 -0.840 12.312 -5.239 1.00 0.00 C ATOM 740 CG ASP A 45 -1.898 13.380 -5.440 1.00 0.00 C ATOM 741 OD1 ASP A 45 -2.319 13.587 -6.597 1.00 0.00 O ATOM 742 OD2 ASP A 45 -2.304 14.008 -4.439 1.00 0.00 O ATOM 0 H ASP A 45 -1.293 11.111 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.233 10.765 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.198 12.594 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.207 12.261 -6.125 1.00 0.00 H new ATOM 747 N VAL A 46 0.312 9.624 -3.968 1.00 0.00 N ATOM 748 CA VAL A 46 1.363 8.619 -3.846 1.00 0.00 C ATOM 749 C VAL A 46 1.494 8.187 -2.395 1.00 0.00 C ATOM 750 O VAL A 46 1.784 9.002 -1.517 1.00 0.00 O ATOM 751 CB VAL A 46 2.717 9.148 -4.355 1.00 0.00 C ATOM 752 CG1 VAL A 46 3.881 8.524 -3.596 1.00 0.00 C ATOM 753 CG2 VAL A 46 2.848 8.882 -5.839 1.00 0.00 C ATOM 0 H VAL A 46 0.142 10.139 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 46 1.083 7.765 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 46 2.750 10.223 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.821 8.920 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.794 8.763 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.862 7.442 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.808 9.259 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.789 7.809 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.042 9.386 -6.372 1.00 0.00 H new ATOM 763 N LEU A 47 1.266 6.905 -2.149 1.00 0.00 N ATOM 764 CA LEU A 47 1.355 6.363 -0.802 1.00 0.00 C ATOM 765 C LEU A 47 2.681 6.754 -0.167 1.00 0.00 C ATOM 766 O LEU A 47 2.724 7.470 0.830 1.00 0.00 O ATOM 767 CB LEU A 47 1.229 4.838 -0.822 1.00 0.00 C ATOM 768 CG LEU A 47 0.386 4.248 -1.956 1.00 0.00 C ATOM 769 CD1 LEU A 47 0.166 2.764 -1.718 1.00 0.00 C ATOM 770 CD2 LEU A 47 -0.951 4.951 -2.081 1.00 0.00 C ATOM 0 H LEU A 47 1.018 6.222 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 47 0.535 6.776 -0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.230 4.411 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.801 4.516 0.127 1.00 0.00 H new ATOM 0 HG LEU A 47 0.931 4.394 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.434 2.351 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.129 2.254 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.355 2.621 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.522 4.505 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.506 4.845 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.788 6.009 -2.288 1.00 0.00 H new ATOM 782 N SER A 48 3.758 6.283 -0.775 1.00 0.00 N ATOM 783 CA SER A 48 5.105 6.556 -0.297 1.00 0.00 C ATOM 784 C SER A 48 5.443 8.041 -0.375 1.00 0.00 C ATOM 785 O SER A 48 4.561 8.888 -0.522 1.00 0.00 O ATOM 786 CB SER A 48 6.105 5.759 -1.125 1.00 0.00 C ATOM 787 OG SER A 48 6.035 6.119 -2.494 1.00 0.00 O ATOM 0 H SER A 48 3.724 5.702 -1.612 1.00 0.00 H new ATOM 0 HA SER A 48 5.159 6.258 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.114 5.934 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.905 4.693 -1.015 1.00 0.00 H new ATOM 0 HG SER A 48 6.940 6.158 -2.869 1.00 0.00 H new ATOM 793 N ASP A 49 6.734 8.346 -0.272 1.00 0.00 N ATOM 794 CA ASP A 49 7.208 9.724 -0.332 1.00 0.00 C ATOM 795 C ASP A 49 8.637 9.787 -0.859 1.00 0.00 C ATOM 796 O ASP A 49 8.864 10.069 -2.035 1.00 0.00 O ATOM 797 CB ASP A 49 7.142 10.376 1.050 1.00 0.00 C ATOM 798 CG ASP A 49 5.721 10.668 1.489 1.00 0.00 C ATOM 799 OD1 ASP A 49 5.223 11.774 1.190 1.00 0.00 O ATOM 800 OD2 ASP A 49 5.106 9.792 2.132 1.00 0.00 O ATOM 0 H ASP A 49 7.472 7.654 -0.146 1.00 0.00 H new ATOM 0 HA ASP A 49 6.558 10.269 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.616 9.720 1.780 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.713 11.305 1.037 1.00 0.00 H new ATOM 805 N GLU A 50 9.594 9.521 0.023 1.00 0.00 N ATOM 806 CA GLU A 50 11.001 9.555 -0.342 1.00 0.00 C ATOM 807 C GLU A 50 11.775 8.408 0.304 1.00 0.00 C ATOM 808 O GLU A 50 12.749 7.907 -0.260 1.00 0.00 O ATOM 809 CB GLU A 50 11.593 10.892 0.090 1.00 0.00 C ATOM 810 CG GLU A 50 11.657 11.068 1.599 1.00 0.00 C ATOM 811 CD GLU A 50 12.272 12.393 2.007 1.00 0.00 C ATOM 812 OE1 GLU A 50 13.508 12.447 2.177 1.00 0.00 O ATOM 813 OE2 GLU A 50 11.515 13.376 2.157 1.00 0.00 O ATOM 0 H GLU A 50 9.418 9.279 0.998 1.00 0.00 H new ATOM 0 HA GLU A 50 11.083 9.439 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 50 12.598 10.985 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.997 11.699 -0.337 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.651 10.996 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.238 10.254 2.032 1.00 0.00 H new ATOM 820 N ILE A 51 11.335 7.997 1.489 1.00 0.00 N ATOM 821 CA ILE A 51 11.987 6.919 2.222 1.00 0.00 C ATOM 822 C ILE A 51 11.685 5.563 1.609 1.00 0.00 C ATOM 823 O ILE A 51 12.455 5.050 0.801 1.00 0.00 O ATOM 824 CB ILE A 51 11.535 6.908 3.692 1.00 0.00 C ATOM 825 CG1 ILE A 51 11.662 8.305 4.292 1.00 0.00 C ATOM 826 CG2 ILE A 51 12.340 5.898 4.494 1.00 0.00 C ATOM 827 CD1 ILE A 51 13.094 8.770 4.458 1.00 0.00 C ATOM 0 H ILE A 51 10.526 8.397 1.964 1.00 0.00 H new ATOM 0 HA ILE A 51 13.060 7.102 2.166 1.00 0.00 H new ATOM 0 HB ILE A 51 10.487 6.609 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.131 9.013 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.170 8.319 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.004 5.906 5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.196 4.902 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.397 6.160 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.104 9.771 4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 51 13.625 8.085 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.585 8.790 3.485 1.00 0.00 H new ATOM 839 N LEU A 52 10.569 4.979 2.016 1.00 0.00 N ATOM 840 CA LEU A 52 10.161 3.682 1.505 1.00 0.00 C ATOM 841 C LEU A 52 9.139 3.826 0.386 1.00 0.00 C ATOM 842 O LEU A 52 7.993 4.200 0.632 1.00 0.00 O ATOM 843 CB LEU A 52 9.565 2.839 2.629 1.00 0.00 C ATOM 844 CG LEU A 52 10.121 1.422 2.731 1.00 0.00 C ATOM 845 CD1 LEU A 52 9.431 0.658 3.851 1.00 0.00 C ATOM 846 CD2 LEU A 52 9.968 0.691 1.406 1.00 0.00 C ATOM 0 H LEU A 52 9.930 5.384 2.700 1.00 0.00 H new ATOM 0 HA LEU A 52 11.047 3.189 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.735 3.350 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.486 2.781 2.488 1.00 0.00 H new ATOM 0 HG LEU A 52 11.184 1.484 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.840 -0.351 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.597 1.172 4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.361 0.604 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.370 -0.318 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.912 0.638 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.512 1.228 0.629 1.00 0.00 H new ATOM 858 N GLU A 53 9.554 3.531 -0.844 1.00 0.00 N ATOM 859 CA GLU A 53 8.648 3.617 -1.978 1.00 0.00 C ATOM 860 C GLU A 53 7.505 2.633 -1.789 1.00 0.00 C ATOM 861 O GLU A 53 7.686 1.571 -1.194 1.00 0.00 O ATOM 862 CB GLU A 53 9.384 3.316 -3.284 1.00 0.00 C ATOM 863 CG GLU A 53 8.846 4.089 -4.475 1.00 0.00 C ATOM 864 CD GLU A 53 7.510 3.565 -4.959 1.00 0.00 C ATOM 865 OE1 GLU A 53 7.490 2.483 -5.579 1.00 0.00 O ATOM 866 OE2 GLU A 53 6.486 4.240 -4.722 1.00 0.00 O ATOM 0 H GLU A 53 10.502 3.234 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 53 8.252 4.631 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.441 3.549 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.315 2.248 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.743 5.140 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.568 4.040 -5.290 1.00 0.00 H new ATOM 873 N VAL A 54 6.327 2.985 -2.281 1.00 0.00 N ATOM 874 CA VAL A 54 5.167 2.114 -2.142 1.00 0.00 C ATOM 875 C VAL A 54 4.242 2.218 -3.344 1.00 0.00 C ATOM 876 O VAL A 54 3.923 3.312 -3.810 1.00 0.00 O ATOM 877 CB VAL A 54 4.349 2.430 -0.870 1.00 0.00 C ATOM 878 CG1 VAL A 54 3.336 1.326 -0.612 1.00 0.00 C ATOM 879 CG2 VAL A 54 5.254 2.618 0.338 1.00 0.00 C ATOM 0 H VAL A 54 6.148 3.859 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 54 5.565 1.102 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 54 3.817 3.367 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.765 1.559 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.658 1.248 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.857 0.379 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.647 2.839 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.824 1.705 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.940 3.445 0.154 1.00 0.00 H new ATOM 889 N VAL A 55 3.818 1.064 -3.838 1.00 0.00 N ATOM 890 CA VAL A 55 2.910 0.997 -4.970 1.00 0.00 C ATOM 891 C VAL A 55 1.857 -0.065 -4.721 1.00 0.00 C ATOM 892 O VAL A 55 2.009 -1.220 -5.121 1.00 0.00 O ATOM 893 CB VAL A 55 3.634 0.671 -6.282 1.00 0.00 C ATOM 894 CG1 VAL A 55 2.658 0.729 -7.446 1.00 0.00 C ATOM 895 CG2 VAL A 55 4.802 1.616 -6.504 1.00 0.00 C ATOM 0 H VAL A 55 4.092 0.154 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 55 2.453 1.981 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 55 4.034 -0.341 -6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.183 0.496 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.860 0.003 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.231 1.729 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.300 1.365 -7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.436 2.642 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.509 1.520 -5.680 1.00 0.00 H new ATOM 905 N CYS A 56 0.797 0.335 -4.050 1.00 0.00 N ATOM 906 CA CYS A 56 -0.287 -0.578 -3.726 1.00 0.00 C ATOM 907 C CYS A 56 -1.377 -0.511 -4.774 1.00 0.00 C ATOM 908 O CYS A 56 -2.227 0.378 -4.748 1.00 0.00 O ATOM 909 CB CYS A 56 -0.883 -0.259 -2.361 1.00 0.00 C ATOM 910 SG CYS A 56 -2.170 -1.413 -1.831 1.00 0.00 S ATOM 0 H CYS A 56 0.660 1.289 -3.716 1.00 0.00 H new ATOM 0 HA CYS A 56 0.131 -1.585 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -0.084 -0.256 -1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.300 0.748 -2.385 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.829 -2.624 -2.160 1.00 0.00 H new ATOM 916 N LYS A 57 -1.334 -1.447 -5.702 1.00 0.00 N ATOM 917 CA LYS A 57 -2.327 -1.521 -6.753 1.00 0.00 C ATOM 918 C LYS A 57 -3.638 -2.017 -6.172 1.00 0.00 C ATOM 919 O LYS A 57 -4.020 -3.173 -6.358 1.00 0.00 O ATOM 920 CB LYS A 57 -1.868 -2.458 -7.857 1.00 0.00 C ATOM 921 CG LYS A 57 -0.437 -2.218 -8.312 1.00 0.00 C ATOM 922 CD LYS A 57 -0.036 -3.177 -9.421 1.00 0.00 C ATOM 923 CE LYS A 57 1.391 -2.930 -9.883 1.00 0.00 C ATOM 924 NZ LYS A 57 1.793 -3.863 -10.972 1.00 0.00 N ATOM 0 H LYS A 57 -0.617 -2.171 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.465 -0.527 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.961 -3.487 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.534 -2.350 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.333 -1.191 -8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.240 -2.336 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.133 -4.204 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.717 -3.065 -10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.486 -1.902 -10.232 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.071 -3.044 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.772 -3.661 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.727 -4.843 -10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.161 -3.737 -11.788 1.00 0.00 H new ATOM 938 N TYR A 58 -4.297 -1.144 -5.435 1.00 0.00 N ATOM 939 CA TYR A 58 -5.568 -1.476 -4.818 1.00 0.00 C ATOM 940 C TYR A 58 -6.602 -1.744 -5.900 1.00 0.00 C ATOM 941 O TYR A 58 -7.121 -0.821 -6.531 1.00 0.00 O ATOM 942 CB TYR A 58 -6.032 -0.344 -3.875 1.00 0.00 C ATOM 943 CG TYR A 58 -7.378 -0.563 -3.194 1.00 0.00 C ATOM 944 CD1 TYR A 58 -8.274 -1.547 -3.620 1.00 0.00 C ATOM 945 CD2 TYR A 58 -7.758 0.242 -2.122 1.00 0.00 C ATOM 946 CE1 TYR A 58 -9.497 -1.723 -3.012 1.00 0.00 C ATOM 947 CE2 TYR A 58 -8.985 0.065 -1.508 1.00 0.00 C ATOM 948 CZ TYR A 58 -9.850 -0.913 -1.957 1.00 0.00 C ATOM 949 OH TYR A 58 -11.070 -1.082 -1.343 1.00 0.00 O ATOM 0 H TYR A 58 -3.972 -0.195 -5.248 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.448 -2.376 -4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -5.274 -0.204 -3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.081 0.583 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.000 -2.186 -4.447 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.088 1.011 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.173 -2.490 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.267 0.693 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.163 -0.431 -0.616 1.00 0.00 H new ATOM 959 N THR A 59 -6.891 -3.022 -6.107 1.00 0.00 N ATOM 960 CA THR A 59 -7.879 -3.437 -7.086 1.00 0.00 C ATOM 961 C THR A 59 -9.121 -3.950 -6.367 1.00 0.00 C ATOM 962 O THR A 59 -9.031 -4.840 -5.524 1.00 0.00 O ATOM 963 CB THR A 59 -7.326 -4.537 -8.011 1.00 0.00 C ATOM 964 OG1 THR A 59 -5.930 -4.319 -8.247 1.00 0.00 O ATOM 965 CG2 THR A 59 -8.068 -4.548 -9.339 1.00 0.00 C ATOM 0 H THR A 59 -6.450 -3.792 -5.604 1.00 0.00 H new ATOM 0 HA THR A 59 -8.133 -2.574 -7.702 1.00 0.00 H new ATOM 0 HB THR A 59 -7.469 -5.500 -7.521 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.584 -5.023 -8.835 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.661 -5.333 -9.977 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.127 -4.737 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.948 -3.583 -9.831 1.00 0.00 H new ATOM 973 N PRO A 60 -10.297 -3.386 -6.680 1.00 0.00 N ATOM 974 CA PRO A 60 -11.549 -3.764 -6.049 1.00 0.00 C ATOM 975 C PRO A 60 -12.315 -4.826 -6.831 1.00 0.00 C ATOM 976 O PRO A 60 -11.777 -5.451 -7.745 1.00 0.00 O ATOM 977 CB PRO A 60 -12.304 -2.441 -6.048 1.00 0.00 C ATOM 978 CG PRO A 60 -11.829 -1.720 -7.274 1.00 0.00 C ATOM 979 CD PRO A 60 -10.509 -2.327 -7.675 1.00 0.00 C ATOM 0 HA PRO A 60 -11.408 -4.213 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -13.382 -2.602 -6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.092 -1.867 -5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.556 -1.816 -8.081 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.715 -0.655 -7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.544 -2.730 -8.687 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.706 -1.590 -7.653 1.00 0.00 H new ATOM 987 N THR A 61 -13.577 -5.021 -6.460 1.00 0.00 N ATOM 988 CA THR A 61 -14.428 -6.007 -7.114 1.00 0.00 C ATOM 989 C THR A 61 -14.573 -5.710 -8.605 1.00 0.00 C ATOM 990 O THR A 61 -14.788 -4.563 -8.999 1.00 0.00 O ATOM 991 CB THR A 61 -15.827 -6.049 -6.475 1.00 0.00 C ATOM 992 OG1 THR A 61 -15.734 -5.795 -5.069 1.00 0.00 O ATOM 993 CG2 THR A 61 -16.491 -7.400 -6.701 1.00 0.00 C ATOM 0 H THR A 61 -14.033 -4.506 -5.707 1.00 0.00 H new ATOM 0 HA THR A 61 -13.945 -6.976 -6.985 1.00 0.00 H new ATOM 0 HB THR A 61 -16.435 -5.277 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 61 -15.826 -4.833 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.478 -7.402 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 61 -16.591 -7.582 -7.771 1.00 0.00 H new ATOM 0 HG23 THR A 61 -15.880 -8.185 -6.255 1.00 0.00 H new ATOM 1001 N PRO A 62 -14.455 -6.747 -9.452 1.00 0.00 N ATOM 1002 CA PRO A 62 -14.579 -6.610 -10.907 1.00 0.00 C ATOM 1003 C PRO A 62 -15.875 -5.919 -11.318 1.00 0.00 C ATOM 1004 O PRO A 62 -16.813 -5.816 -10.527 1.00 0.00 O ATOM 1005 CB PRO A 62 -14.568 -8.062 -11.413 1.00 0.00 C ATOM 1006 CG PRO A 62 -14.790 -8.903 -10.200 1.00 0.00 C ATOM 1007 CD PRO A 62 -14.193 -8.138 -9.063 1.00 0.00 C ATOM 0 HA PRO A 62 -13.781 -5.994 -11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -15.350 -8.226 -12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.619 -8.305 -11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -15.853 -9.082 -10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.316 -9.878 -10.308 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -14.662 -8.390 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -13.127 -8.336 -8.954 1.00 0.00 H new ATOM 1015 N SER A 63 -15.919 -5.447 -12.560 1.00 0.00 N ATOM 1016 CA SER A 63 -17.098 -4.767 -13.080 1.00 0.00 C ATOM 1017 C SER A 63 -18.108 -5.776 -13.622 1.00 0.00 C ATOM 1018 O SER A 63 -18.001 -6.974 -13.362 1.00 0.00 O ATOM 1019 CB SER A 63 -16.695 -3.784 -14.181 1.00 0.00 C ATOM 1020 OG SER A 63 -15.764 -2.831 -13.699 1.00 0.00 O ATOM 0 H SER A 63 -15.150 -5.524 -13.225 1.00 0.00 H new ATOM 0 HA SER A 63 -17.565 -4.216 -12.264 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.261 -4.330 -15.019 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.581 -3.273 -14.558 1.00 0.00 H new ATOM 0 HG SER A 63 -15.521 -2.216 -14.422 1.00 0.00 H new ATOM 1026 N SER A 64 -19.088 -5.283 -14.376 1.00 0.00 N ATOM 1027 CA SER A 64 -20.115 -6.143 -14.955 1.00 0.00 C ATOM 1028 C SER A 64 -19.579 -6.892 -16.172 1.00 0.00 C ATOM 1029 O SER A 64 -20.341 -7.502 -16.921 1.00 0.00 O ATOM 1030 CB SER A 64 -21.338 -5.315 -15.349 1.00 0.00 C ATOM 1031 OG SER A 64 -20.997 -4.319 -16.298 1.00 0.00 O ATOM 0 H SER A 64 -19.192 -4.293 -14.600 1.00 0.00 H new ATOM 0 HA SER A 64 -20.406 -6.875 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.105 -5.969 -15.764 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.764 -4.846 -14.462 1.00 0.00 H new ATOM 0 HG SER A 64 -21.797 -3.805 -16.534 1.00 0.00 H new ATOM 1037 N THR A 65 -18.263 -6.841 -16.361 1.00 0.00 N ATOM 1038 CA THR A 65 -17.621 -7.512 -17.485 1.00 0.00 C ATOM 1039 C THR A 65 -17.942 -9.006 -17.491 1.00 0.00 C ATOM 1040 O THR A 65 -18.272 -9.580 -16.453 1.00 0.00 O ATOM 1041 CB THR A 65 -16.093 -7.327 -17.446 1.00 0.00 C ATOM 1042 OG1 THR A 65 -15.563 -7.872 -16.232 1.00 0.00 O ATOM 1043 CG2 THR A 65 -15.723 -5.855 -17.551 1.00 0.00 C ATOM 0 H THR A 65 -17.620 -6.340 -15.748 1.00 0.00 H new ATOM 0 HA THR A 65 -18.013 -7.056 -18.394 1.00 0.00 H new ATOM 0 HB THR A 65 -15.664 -7.855 -18.298 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.591 -7.752 -16.216 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.639 -5.749 -17.521 1.00 0.00 H new ATOM 0 HG22 THR A 65 -16.101 -5.451 -18.490 1.00 0.00 H new ATOM 0 HG23 THR A 65 -16.164 -5.309 -16.717 1.00 0.00 H new ATOM 1051 N PRO A 66 -17.850 -9.658 -18.666 1.00 0.00 N ATOM 1052 CA PRO A 66 -18.132 -11.094 -18.802 1.00 0.00 C ATOM 1053 C PRO A 66 -17.012 -11.960 -18.248 1.00 0.00 C ATOM 1054 O PRO A 66 -16.964 -13.168 -18.482 1.00 0.00 O ATOM 1055 CB PRO A 66 -18.245 -11.276 -20.313 1.00 0.00 C ATOM 1056 CG PRO A 66 -17.319 -10.248 -20.860 1.00 0.00 C ATOM 1057 CD PRO A 66 -17.471 -9.054 -19.959 1.00 0.00 C ATOM 0 HA PRO A 66 -19.021 -11.394 -18.247 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.954 -12.281 -20.619 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.266 -11.121 -20.660 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.290 -10.608 -20.864 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.574 -9.998 -21.890 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.544 -8.486 -19.882 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.236 -8.368 -20.324 1.00 0.00 H new ATOM 1065 N MET A 67 -16.118 -11.327 -17.512 1.00 0.00 N ATOM 1066 CA MET A 67 -14.986 -12.018 -16.908 1.00 0.00 C ATOM 1067 C MET A 67 -14.849 -11.645 -15.435 1.00 0.00 C ATOM 1068 O MET A 67 -14.113 -10.723 -15.082 1.00 0.00 O ATOM 1069 CB MET A 67 -13.694 -11.681 -17.657 1.00 0.00 C ATOM 1070 CG MET A 67 -12.473 -12.417 -17.129 1.00 0.00 C ATOM 1071 SD MET A 67 -10.966 -11.999 -18.028 1.00 0.00 S ATOM 1072 CE MET A 67 -10.842 -10.246 -17.687 1.00 0.00 C ATOM 0 H MET A 67 -16.152 -10.327 -17.315 1.00 0.00 H new ATOM 0 HA MET A 67 -15.165 -13.091 -16.979 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.823 -11.920 -18.713 1.00 0.00 H new ATOM 0 HB3 MET A 67 -13.516 -10.607 -17.593 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.339 -12.180 -16.074 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.645 -13.491 -17.195 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.818 -9.914 -17.856 1.00 0.00 H new ATOM 0 HE2 MET A 67 -11.515 -9.698 -18.347 1.00 0.00 H new ATOM 0 HE3 MET A 67 -11.118 -10.057 -16.650 1.00 0.00 H new ATOM 1082 N VAL A 68 -15.572 -12.361 -14.582 1.00 0.00 N ATOM 1083 CA VAL A 68 -15.536 -12.111 -13.147 1.00 0.00 C ATOM 1084 C VAL A 68 -14.154 -12.408 -12.572 1.00 0.00 C ATOM 1085 O VAL A 68 -13.647 -13.524 -12.693 1.00 0.00 O ATOM 1086 CB VAL A 68 -16.583 -12.961 -12.402 1.00 0.00 C ATOM 1087 CG1 VAL A 68 -16.608 -12.608 -10.922 1.00 0.00 C ATOM 1088 CG2 VAL A 68 -17.959 -12.777 -13.024 1.00 0.00 C ATOM 0 H VAL A 68 -16.192 -13.121 -14.861 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.768 -11.056 -13.004 1.00 0.00 H new ATOM 0 HB VAL A 68 -16.303 -14.010 -12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -17.354 -13.220 -10.415 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.627 -12.797 -10.486 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.861 -11.554 -10.803 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -18.686 -13.385 -12.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -18.248 -11.728 -12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.930 -13.087 -14.069 1.00 0.00 H new ATOM 1098 N GLY A 69 -13.551 -11.401 -11.947 1.00 0.00 N ATOM 1099 CA GLY A 69 -12.234 -11.572 -11.362 1.00 0.00 C ATOM 1100 C GLY A 69 -11.227 -10.576 -11.902 1.00 0.00 C ATOM 1101 O GLY A 69 -10.295 -10.951 -12.616 1.00 0.00 O ATOM 0 H GLY A 69 -13.951 -10.470 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.304 -11.463 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.881 -12.584 -11.559 1.00 0.00 H new ATOM 1105 N VAL A 70 -11.412 -9.304 -11.562 1.00 0.00 N ATOM 1106 CA VAL A 70 -10.513 -8.251 -12.018 1.00 0.00 C ATOM 1107 C VAL A 70 -9.655 -7.731 -10.874 1.00 0.00 C ATOM 1108 O VAL A 70 -8.565 -7.199 -11.087 1.00 0.00 O ATOM 1109 CB VAL A 70 -11.296 -7.080 -12.649 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -10.362 -5.933 -13.011 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -12.068 -7.552 -13.870 1.00 0.00 C ATOM 0 H VAL A 70 -12.177 -8.978 -10.972 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.865 -8.689 -12.777 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.010 -6.712 -11.912 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.938 -5.121 -13.454 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.861 -5.574 -12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.618 -6.282 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.614 -6.713 -14.302 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.373 -7.951 -14.608 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.772 -8.331 -13.577 1.00 0.00 H new ATOM 1121 N GLY A 71 -10.152 -7.900 -9.661 1.00 0.00 N ATOM 1122 CA GLY A 71 -9.430 -7.441 -8.494 1.00 0.00 C ATOM 1123 C GLY A 71 -9.946 -8.044 -7.204 1.00 0.00 C ATOM 1124 O GLY A 71 -10.133 -9.256 -7.105 1.00 0.00 O ATOM 0 H GLY A 71 -11.046 -8.349 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.374 -7.687 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.500 -6.355 -8.434 1.00 0.00 H new ATOM 1128 N GLY A 72 -10.174 -7.188 -6.212 1.00 0.00 N ATOM 1129 CA GLY A 72 -10.664 -7.651 -4.930 1.00 0.00 C ATOM 1130 C GLY A 72 -9.564 -7.761 -3.894 1.00 0.00 C ATOM 1131 O GLY A 72 -9.746 -8.395 -2.855 1.00 0.00 O ATOM 0 H GLY A 72 -10.027 -6.181 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.431 -6.966 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.139 -8.624 -5.056 1.00 0.00 H new ATOM 1135 N ILE A 73 -8.419 -7.141 -4.173 1.00 0.00 N ATOM 1136 CA ILE A 73 -7.294 -7.176 -3.255 1.00 0.00 C ATOM 1137 C ILE A 73 -6.487 -5.886 -3.310 1.00 0.00 C ATOM 1138 O ILE A 73 -6.912 -4.893 -3.900 1.00 0.00 O ATOM 1139 CB ILE A 73 -6.341 -8.351 -3.542 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -5.819 -8.305 -4.973 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -7.007 -9.684 -3.252 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -4.463 -8.961 -5.113 1.00 0.00 C ATOM 0 H ILE A 73 -8.251 -6.610 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.728 -7.302 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.487 -8.250 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.530 -8.802 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.753 -7.267 -5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.309 -10.493 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.300 -9.724 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.891 -9.793 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.136 -8.902 -6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.743 -8.448 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.532 -10.007 -4.814 1.00 0.00 H new ATOM 1154 N TYR A 74 -5.314 -5.916 -2.682 1.00 0.00 N ATOM 1155 CA TYR A 74 -4.427 -4.765 -2.643 1.00 0.00 C ATOM 1156 C TYR A 74 -2.988 -5.203 -2.901 1.00 0.00 C ATOM 1157 O TYR A 74 -2.322 -5.722 -2.005 1.00 0.00 O ATOM 1158 CB TYR A 74 -4.525 -4.076 -1.276 1.00 0.00 C ATOM 1159 CG TYR A 74 -5.924 -4.076 -0.688 1.00 0.00 C ATOM 1160 CD1 TYR A 74 -6.461 -5.226 -0.118 1.00 0.00 C ATOM 1161 CD2 TYR A 74 -6.705 -2.930 -0.703 1.00 0.00 C ATOM 1162 CE1 TYR A 74 -7.734 -5.232 0.416 1.00 0.00 C ATOM 1163 CE2 TYR A 74 -7.980 -2.930 -0.168 1.00 0.00 C ATOM 1164 CZ TYR A 74 -8.489 -4.082 0.388 1.00 0.00 C ATOM 1165 OH TYR A 74 -9.758 -4.083 0.921 1.00 0.00 O ATOM 0 H TYR A 74 -4.957 -6.735 -2.190 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.727 -4.062 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.849 -4.573 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.182 -3.046 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.871 -6.130 -0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.311 -2.024 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.135 -6.134 0.853 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.575 -2.029 -0.186 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.155 -3.193 0.822 1.00 0.00 H new ATOM 1175 N VAL A 75 -2.512 -5.005 -4.132 1.00 0.00 N ATOM 1176 CA VAL A 75 -1.149 -5.392 -4.488 1.00 0.00 C ATOM 1177 C VAL A 75 -0.144 -4.357 -3.996 1.00 0.00 C ATOM 1178 O VAL A 75 0.193 -3.417 -4.712 1.00 0.00 O ATOM 1179 CB VAL A 75 -0.987 -5.575 -6.008 1.00 0.00 C ATOM 1180 CG1 VAL A 75 0.431 -6.013 -6.345 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -2.001 -6.578 -6.537 1.00 0.00 C ATOM 0 H VAL A 75 -3.046 -4.583 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.954 -6.347 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.172 -4.616 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.527 -6.137 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.137 -5.256 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.647 -6.960 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.871 -6.694 -7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.850 -7.540 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.009 -6.220 -6.330 1.00 0.00 H new ATOM 1191 N VAL A 76 0.344 -4.548 -2.776 1.00 0.00 N ATOM 1192 CA VAL A 76 1.292 -3.615 -2.175 1.00 0.00 C ATOM 1193 C VAL A 76 2.730 -3.888 -2.612 1.00 0.00 C ATOM 1194 O VAL A 76 3.254 -4.980 -2.401 1.00 0.00 O ATOM 1195 CB VAL A 76 1.232 -3.674 -0.637 1.00 0.00 C ATOM 1196 CG1 VAL A 76 2.072 -2.564 -0.027 1.00 0.00 C ATOM 1197 CG2 VAL A 76 -0.206 -3.595 -0.147 1.00 0.00 C ATOM 0 H VAL A 76 0.099 -5.341 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 76 0.999 -2.624 -2.523 1.00 0.00 H new ATOM 0 HB VAL A 76 1.644 -4.631 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.017 -2.622 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.109 -2.676 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.693 -1.597 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.222 -3.639 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.653 -2.658 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.775 -4.432 -0.552 1.00 0.00 H new ATOM 1207 N LEU A 77 3.359 -2.883 -3.224 1.00 0.00 N ATOM 1208 CA LEU A 77 4.747 -2.995 -3.661 1.00 0.00 C ATOM 1209 C LEU A 77 5.608 -1.990 -2.922 1.00 0.00 C ATOM 1210 O LEU A 77 5.671 -0.819 -3.292 1.00 0.00 O ATOM 1211 CB LEU A 77 4.871 -2.766 -5.166 1.00 0.00 C ATOM 1212 CG LEU A 77 4.192 -3.823 -6.038 1.00 0.00 C ATOM 1213 CD1 LEU A 77 4.405 -3.516 -7.513 1.00 0.00 C ATOM 1214 CD2 LEU A 77 4.714 -5.213 -5.701 1.00 0.00 C ATOM 0 H LEU A 77 2.926 -1.982 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 77 5.090 -4.005 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.447 -1.791 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.929 -2.726 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 77 3.122 -3.800 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.915 -4.279 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.980 -2.540 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.473 -3.509 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.218 -5.951 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.789 -5.250 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.508 -5.435 -4.654 1.00 0.00 H new ATOM 1226 N VAL A 78 6.277 -2.453 -1.881 1.00 0.00 N ATOM 1227 CA VAL A 78 7.121 -1.579 -1.083 1.00 0.00 C ATOM 1228 C VAL A 78 8.574 -1.667 -1.536 1.00 0.00 C ATOM 1229 O VAL A 78 9.235 -2.688 -1.347 1.00 0.00 O ATOM 1230 CB VAL A 78 7.018 -1.915 0.416 1.00 0.00 C ATOM 1231 CG1 VAL A 78 6.634 -0.672 1.214 1.00 0.00 C ATOM 1232 CG2 VAL A 78 6.016 -3.035 0.652 1.00 0.00 C ATOM 0 H VAL A 78 6.253 -3.424 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 78 6.766 -0.559 -1.231 1.00 0.00 H new ATOM 0 HB VAL A 78 7.994 -2.258 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.565 -0.926 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.392 0.099 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.670 -0.300 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.960 -3.255 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.034 -2.726 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.335 -3.928 0.114 1.00 0.00 H new ATOM 1242 N LYS A 79 9.061 -0.586 -2.139 1.00 0.00 N ATOM 1243 CA LYS A 79 10.428 -0.535 -2.644 1.00 0.00 C ATOM 1244 C LYS A 79 11.301 0.425 -1.835 1.00 0.00 C ATOM 1245 O LYS A 79 11.218 1.639 -2.005 1.00 0.00 O ATOM 1246 CB LYS A 79 10.418 -0.113 -4.113 1.00 0.00 C ATOM 1247 CG LYS A 79 10.269 -1.279 -5.075 1.00 0.00 C ATOM 1248 CD LYS A 79 10.385 -0.828 -6.523 1.00 0.00 C ATOM 1249 CE LYS A 79 9.241 0.094 -6.918 1.00 0.00 C ATOM 1250 NZ LYS A 79 9.345 0.530 -8.339 1.00 0.00 N ATOM 0 H LYS A 79 8.526 0.269 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 79 10.856 -1.532 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.601 0.589 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.344 0.417 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.034 -2.026 -4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.303 -1.759 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.335 -0.313 -6.669 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.392 -1.700 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.292 -0.419 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.239 0.969 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.547 1.157 -8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.239 1.042 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.321 -0.304 -8.961 1.00 0.00 H new ATOM 1264 N PRO A 80 12.155 -0.108 -0.945 1.00 0.00 N ATOM 1265 CA PRO A 80 13.050 0.716 -0.125 1.00 0.00 C ATOM 1266 C PRO A 80 13.916 1.647 -0.969 1.00 0.00 C ATOM 1267 O PRO A 80 14.923 1.224 -1.536 1.00 0.00 O ATOM 1268 CB PRO A 80 13.925 -0.310 0.599 1.00 0.00 C ATOM 1269 CG PRO A 80 13.137 -1.573 0.589 1.00 0.00 C ATOM 1270 CD PRO A 80 12.305 -1.545 -0.661 1.00 0.00 C ATOM 0 HA PRO A 80 12.494 1.370 0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.881 -0.439 0.092 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.144 0.009 1.618 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.796 -2.441 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.505 -1.643 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.797 -2.067 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.339 -2.027 -0.511 1.00 0.00 H new ATOM 1278 N ARG A 81 13.521 2.915 -1.055 1.00 0.00 N ATOM 1279 CA ARG A 81 14.272 3.893 -1.831 1.00 0.00 C ATOM 1280 C ARG A 81 15.605 4.210 -1.163 1.00 0.00 C ATOM 1281 O ARG A 81 16.636 4.314 -1.828 1.00 0.00 O ATOM 1282 CB ARG A 81 13.464 5.175 -2.008 1.00 0.00 C ATOM 1283 CG ARG A 81 12.612 5.187 -3.264 1.00 0.00 C ATOM 1284 CD ARG A 81 11.735 6.423 -3.318 1.00 0.00 C ATOM 1285 NE ARG A 81 10.863 6.429 -4.489 1.00 0.00 N ATOM 1286 CZ ARG A 81 10.073 7.447 -4.815 1.00 0.00 C ATOM 1287 NH1 ARG A 81 10.047 8.539 -4.062 1.00 0.00 N ATOM 1288 NH2 ARG A 81 9.308 7.374 -5.897 1.00 0.00 N ATOM 0 H ARG A 81 12.688 3.286 -0.598 1.00 0.00 H new ATOM 0 HA ARG A 81 14.468 3.460 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.819 5.311 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.147 6.024 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.255 5.155 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 81 11.988 4.293 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.128 6.475 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.364 7.313 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 81 10.860 5.606 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.634 8.599 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.440 9.319 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.326 6.536 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.702 8.155 -6.147 1.00 0.00 H new ATOM 1302 N LYS A 82 15.574 4.361 0.157 1.00 0.00 N ATOM 1303 CA LYS A 82 16.777 4.666 0.923 1.00 0.00 C ATOM 1304 C LYS A 82 17.160 3.489 1.814 1.00 0.00 C ATOM 1305 O LYS A 82 16.512 2.441 1.785 1.00 0.00 O ATOM 1306 CB LYS A 82 16.558 5.916 1.780 1.00 0.00 C ATOM 1307 CG LYS A 82 16.127 7.137 0.983 1.00 0.00 C ATOM 1308 CD LYS A 82 16.026 8.371 1.866 1.00 0.00 C ATOM 1309 CE LYS A 82 15.596 9.592 1.070 1.00 0.00 C ATOM 1310 NZ LYS A 82 16.558 9.913 -0.020 1.00 0.00 N ATOM 0 H LYS A 82 14.727 4.277 0.719 1.00 0.00 H new ATOM 0 HA LYS A 82 17.590 4.853 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.801 5.700 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.481 6.147 2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.842 7.320 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.162 6.944 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.311 8.188 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.990 8.563 2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.609 9.417 0.643 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.507 10.448 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.366 10.869 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.529 9.872 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 16.452 9.223 -0.791 1.00 0.00 H new ATOM 1324 N ARG A 83 18.215 3.665 2.602 1.00 0.00 N ATOM 1325 CA ARG A 83 18.677 2.618 3.504 1.00 0.00 C ATOM 1326 C ARG A 83 18.582 3.075 4.956 1.00 0.00 C ATOM 1327 O ARG A 83 18.831 4.239 5.267 1.00 0.00 O ATOM 1328 CB ARG A 83 20.119 2.239 3.175 1.00 0.00 C ATOM 1329 CG ARG A 83 20.354 1.959 1.700 1.00 0.00 C ATOM 1330 CD ARG A 83 21.836 1.902 1.375 1.00 0.00 C ATOM 1331 NE ARG A 83 22.077 1.617 -0.036 1.00 0.00 N ATOM 1332 CZ ARG A 83 23.285 1.606 -0.591 1.00 0.00 C ATOM 1333 NH1 ARG A 83 24.359 1.863 0.144 1.00 0.00 N ATOM 1334 NH2 ARG A 83 23.421 1.337 -1.883 1.00 0.00 N ATOM 0 H ARG A 83 18.766 4.523 2.634 1.00 0.00 H new ATOM 0 HA ARG A 83 18.037 1.746 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 83 20.779 3.046 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 83 20.394 1.356 3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 83 19.884 1.014 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 83 19.878 2.735 1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 83 22.301 2.852 1.637 1.00 0.00 H new ATOM 0 HD3 ARG A 83 22.312 1.135 1.986 1.00 0.00 H new ATOM 0 HE ARG A 83 21.273 1.415 -0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 83 24.259 2.070 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 83 25.284 1.854 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 83 22.598 1.138 -2.452 1.00 0.00 H new ATOM 0 HH22 ARG A 83 24.348 1.329 -2.307 1.00 0.00 H new ATOM 1348 N GLY A 84 18.220 2.150 5.839 1.00 0.00 N ATOM 1349 CA GLY A 84 18.101 2.479 7.248 1.00 0.00 C ATOM 1350 C GLY A 84 16.877 1.856 7.887 1.00 0.00 C ATOM 1351 O GLY A 84 16.587 0.680 7.668 1.00 0.00 O ATOM 0 H GLY A 84 18.007 1.180 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.994 2.140 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.055 3.562 7.362 1.00 0.00 H new ATOM 1355 N HIS A 85 16.159 2.643 8.680 1.00 0.00 N ATOM 1356 CA HIS A 85 14.961 2.158 9.351 1.00 0.00 C ATOM 1357 C HIS A 85 13.703 2.623 8.628 1.00 0.00 C ATOM 1358 O HIS A 85 13.176 3.701 8.903 1.00 0.00 O ATOM 1359 CB HIS A 85 14.929 2.631 10.804 1.00 0.00 C ATOM 1360 CG HIS A 85 16.104 2.170 11.609 1.00 0.00 C ATOM 1361 ND1 HIS A 85 17.188 2.977 11.888 1.00 0.00 N ATOM 1362 CD2 HIS A 85 16.361 0.981 12.202 1.00 0.00 C ATOM 1363 CE1 HIS A 85 18.061 2.301 12.615 1.00 0.00 C ATOM 1364 NE2 HIS A 85 17.582 1.089 12.820 1.00 0.00 N ATOM 0 H HIS A 85 16.386 3.618 8.873 1.00 0.00 H new ATOM 0 HA HIS A 85 14.989 1.068 9.333 1.00 0.00 H new ATOM 0 HB2 HIS A 85 14.891 3.720 10.822 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.013 2.272 11.274 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.724 0.109 12.191 1.00 0.00 H new ATOM 0 HE1 HIS A 85 19.006 2.677 12.979 1.00 0.00 H new ATOM 0 HE2 HIS A 85 18.044 0.351 13.352 1.00 0.00 H new ATOM 1373 N HIS A 86 13.232 1.803 7.696 1.00 0.00 N ATOM 1374 CA HIS A 86 12.032 2.119 6.929 1.00 0.00 C ATOM 1375 C HIS A 86 10.874 1.237 7.377 1.00 0.00 C ATOM 1376 O HIS A 86 11.084 0.220 8.037 1.00 0.00 O ATOM 1377 CB HIS A 86 12.285 1.928 5.434 1.00 0.00 C ATOM 1378 CG HIS A 86 13.434 2.731 4.910 1.00 0.00 C ATOM 1379 ND1 HIS A 86 14.305 3.424 5.723 1.00 0.00 N ATOM 1380 CD2 HIS A 86 13.854 2.950 3.641 1.00 0.00 C ATOM 1381 CE1 HIS A 86 15.207 4.037 4.979 1.00 0.00 C ATOM 1382 NE2 HIS A 86 14.957 3.764 3.712 1.00 0.00 N ATOM 0 H HIS A 86 13.664 0.912 7.452 1.00 0.00 H new ATOM 0 HA HIS A 86 11.774 3.163 7.108 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.472 0.872 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.383 2.199 4.885 1.00 0.00 H new ATOM 0 HD1 HIS A 86 14.260 3.458 6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 86 13.405 2.557 2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.012 4.657 5.345 1.00 0.00 H new ATOM 1391 N THR A 87 9.654 1.621 7.014 1.00 0.00 N ATOM 1392 CA THR A 87 8.481 0.850 7.401 1.00 0.00 C ATOM 1393 C THR A 87 7.270 1.168 6.529 1.00 0.00 C ATOM 1394 O THR A 87 7.168 2.251 5.951 1.00 0.00 O ATOM 1395 CB THR A 87 8.113 1.113 8.873 1.00 0.00 C ATOM 1396 OG1 THR A 87 9.214 0.777 9.725 1.00 0.00 O ATOM 1397 CG2 THR A 87 6.893 0.303 9.277 1.00 0.00 C ATOM 0 H THR A 87 9.454 2.453 6.458 1.00 0.00 H new ATOM 0 HA THR A 87 8.743 -0.199 7.264 1.00 0.00 H new ATOM 0 HB THR A 87 7.882 2.173 8.980 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.992 -0.022 10.247 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.652 0.505 10.321 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.047 0.581 8.648 1.00 0.00 H new ATOM 0 HG23 THR A 87 7.104 -0.759 9.152 1.00 0.00 H new ATOM 1405 N LEU A 88 6.353 0.206 6.445 1.00 0.00 N ATOM 1406 CA LEU A 88 5.130 0.361 5.672 1.00 0.00 C ATOM 1407 C LEU A 88 3.922 0.077 6.554 1.00 0.00 C ATOM 1408 O LEU A 88 3.535 -1.074 6.736 1.00 0.00 O ATOM 1409 CB LEU A 88 5.129 -0.592 4.480 1.00 0.00 C ATOM 1410 CG LEU A 88 3.808 -0.667 3.718 1.00 0.00 C ATOM 1411 CD1 LEU A 88 3.652 0.544 2.812 1.00 0.00 C ATOM 1412 CD2 LEU A 88 3.729 -1.949 2.913 1.00 0.00 C ATOM 0 H LEU A 88 6.439 -0.698 6.910 1.00 0.00 H new ATOM 0 HA LEU A 88 5.078 1.386 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.914 -0.286 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.386 -1.591 4.832 1.00 0.00 H new ATOM 0 HG LEU A 88 2.991 -0.667 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.706 0.477 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.664 1.453 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.474 0.572 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.781 -1.984 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.551 -1.981 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.798 -2.805 3.584 1.00 0.00 H new ATOM 1424 N GLU A 89 3.327 1.127 7.099 1.00 0.00 N ATOM 1425 CA GLU A 89 2.178 0.965 7.978 1.00 0.00 C ATOM 1426 C GLU A 89 0.876 0.852 7.195 1.00 0.00 C ATOM 1427 O GLU A 89 0.313 1.857 6.760 1.00 0.00 O ATOM 1428 CB GLU A 89 2.088 2.135 8.955 1.00 0.00 C ATOM 1429 CG GLU A 89 3.436 2.683 9.383 1.00 0.00 C ATOM 1430 CD GLU A 89 3.325 3.697 10.503 1.00 0.00 C ATOM 1431 OE1 GLU A 89 3.369 3.288 11.682 1.00 0.00 O ATOM 1432 OE2 GLU A 89 3.195 4.902 10.203 1.00 0.00 O ATOM 0 H GLU A 89 3.617 2.093 6.950 1.00 0.00 H new ATOM 0 HA GLU A 89 2.322 0.036 8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.510 2.937 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.539 1.815 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.073 1.859 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.924 3.146 8.526 1.00 0.00 H new ATOM 1439 N LEU A 90 0.406 -0.376 7.014 1.00 0.00 N ATOM 1440 CA LEU A 90 -0.849 -0.614 6.312 1.00 0.00 C ATOM 1441 C LEU A 90 -1.975 -0.752 7.328 1.00 0.00 C ATOM 1442 O LEU A 90 -1.864 -1.520 8.284 1.00 0.00 O ATOM 1443 CB LEU A 90 -0.764 -1.872 5.441 1.00 0.00 C ATOM 1444 CG LEU A 90 0.411 -1.912 4.458 1.00 0.00 C ATOM 1445 CD1 LEU A 90 0.285 -3.113 3.533 1.00 0.00 C ATOM 1446 CD2 LEU A 90 0.488 -0.625 3.650 1.00 0.00 C ATOM 0 H LEU A 90 0.874 -1.221 7.343 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.049 0.233 5.655 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.699 -2.742 6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.692 -1.966 4.876 1.00 0.00 H new ATOM 0 HG LEU A 90 1.333 -2.007 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.126 -3.129 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.285 -4.029 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.646 -3.043 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.330 -0.678 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.436 -0.494 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.625 0.220 4.324 1.00 0.00 H new ATOM 1458 N VAL A 91 -3.054 -0.008 7.127 1.00 0.00 N ATOM 1459 CA VAL A 91 -4.175 -0.041 8.055 1.00 0.00 C ATOM 1460 C VAL A 91 -5.510 -0.230 7.337 1.00 0.00 C ATOM 1461 O VAL A 91 -5.642 0.073 6.150 1.00 0.00 O ATOM 1462 CB VAL A 91 -4.238 1.265 8.873 1.00 0.00 C ATOM 1463 CG1 VAL A 91 -4.580 2.442 7.966 1.00 0.00 C ATOM 1464 CG2 VAL A 91 -5.234 1.147 10.018 1.00 0.00 C ATOM 0 H VAL A 91 -3.176 0.622 6.334 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.010 -0.893 8.714 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.256 1.444 9.310 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.621 3.357 8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.815 2.542 7.195 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.548 2.270 7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.258 2.082 10.578 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.226 0.939 9.617 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.933 0.335 10.680 1.00 0.00 H new ATOM 1474 N TYR A 92 -6.496 -0.734 8.075 1.00 0.00 N ATOM 1475 CA TYR A 92 -7.836 -0.944 7.539 1.00 0.00 C ATOM 1476 C TYR A 92 -8.740 0.197 8.004 1.00 0.00 C ATOM 1477 O TYR A 92 -9.289 0.151 9.102 1.00 0.00 O ATOM 1478 CB TYR A 92 -8.382 -2.295 8.014 1.00 0.00 C ATOM 1479 CG TYR A 92 -9.323 -2.976 7.041 1.00 0.00 C ATOM 1480 CD1 TYR A 92 -9.115 -2.909 5.667 1.00 0.00 C ATOM 1481 CD2 TYR A 92 -10.417 -3.698 7.502 1.00 0.00 C ATOM 1482 CE1 TYR A 92 -9.971 -3.537 4.783 1.00 0.00 C ATOM 1483 CE2 TYR A 92 -11.277 -4.331 6.624 1.00 0.00 C ATOM 1484 CZ TYR A 92 -11.050 -4.247 5.267 1.00 0.00 C ATOM 1485 OH TYR A 92 -11.904 -4.876 4.390 1.00 0.00 O ATOM 0 H TYR A 92 -6.389 -1.006 9.052 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.804 -0.954 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.542 -2.961 8.213 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.903 -2.148 8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.270 -2.356 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.599 -3.766 8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.796 -3.472 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.122 -4.888 6.999 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.611 -5.333 4.892 1.00 0.00 H new ATOM 1495 N THR A 93 -8.883 1.222 7.167 1.00 0.00 N ATOM 1496 CA THR A 93 -9.684 2.396 7.521 1.00 0.00 C ATOM 1497 C THR A 93 -10.885 2.598 6.609 1.00 0.00 C ATOM 1498 O THR A 93 -10.988 1.984 5.557 1.00 0.00 O ATOM 1499 CB THR A 93 -8.829 3.665 7.444 1.00 0.00 C ATOM 1500 OG1 THR A 93 -9.639 4.818 7.697 1.00 0.00 O ATOM 1501 CG2 THR A 93 -8.180 3.790 6.074 1.00 0.00 C ATOM 0 H THR A 93 -8.457 1.266 6.241 1.00 0.00 H new ATOM 0 HA THR A 93 -10.043 2.215 8.534 1.00 0.00 H new ATOM 0 HB THR A 93 -8.047 3.598 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 93 -9.612 5.414 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.577 4.697 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.544 2.924 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 93 -8.954 3.839 5.308 1.00 0.00 H new ATOM 1509 N ARG A 94 -11.785 3.485 7.028 1.00 0.00 N ATOM 1510 CA ARG A 94 -12.972 3.810 6.248 1.00 0.00 C ATOM 1511 C ARG A 94 -12.783 5.158 5.556 1.00 0.00 C ATOM 1512 O ARG A 94 -13.044 6.203 6.150 1.00 0.00 O ATOM 1513 CB ARG A 94 -14.214 3.863 7.143 1.00 0.00 C ATOM 1514 CG ARG A 94 -14.470 2.578 7.910 1.00 0.00 C ATOM 1515 CD ARG A 94 -15.715 2.684 8.774 1.00 0.00 C ATOM 1516 NE ARG A 94 -16.912 2.953 7.981 1.00 0.00 N ATOM 1517 CZ ARG A 94 -18.118 3.142 8.506 1.00 0.00 C ATOM 1518 NH1 ARG A 94 -18.289 3.089 9.821 1.00 0.00 N ATOM 1519 NH2 ARG A 94 -19.156 3.382 7.717 1.00 0.00 N ATOM 0 H ARG A 94 -11.712 3.993 7.909 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.115 3.030 5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.105 4.683 7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.085 4.088 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.582 1.751 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.609 2.350 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.850 1.756 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.580 3.479 9.508 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.817 2.998 6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.493 2.903 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.216 3.235 10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.029 3.422 6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.081 3.527 8.121 1.00 0.00 H new ATOM 1533 N PRO A 95 -12.306 5.155 4.299 1.00 0.00 N ATOM 1534 CA PRO A 95 -12.073 6.387 3.531 1.00 0.00 C ATOM 1535 C PRO A 95 -13.263 7.341 3.561 1.00 0.00 C ATOM 1536 O PRO A 95 -13.098 8.557 3.474 1.00 0.00 O ATOM 1537 CB PRO A 95 -11.835 5.865 2.115 1.00 0.00 C ATOM 1538 CG PRO A 95 -11.237 4.517 2.325 1.00 0.00 C ATOM 1539 CD PRO A 95 -11.941 3.952 3.523 1.00 0.00 C ATOM 0 HA PRO A 95 -11.247 6.972 3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.765 5.806 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.164 6.517 1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.380 3.883 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.163 4.586 2.497 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.820 3.375 3.238 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.294 3.286 4.093 1.00 0.00 H new ATOM 1547 N PHE A 96 -14.461 6.782 3.683 1.00 0.00 N ATOM 1548 CA PHE A 96 -15.678 7.569 3.723 1.00 0.00 C ATOM 1549 C PHE A 96 -15.882 8.210 5.097 1.00 0.00 C ATOM 1550 O PHE A 96 -16.944 8.762 5.381 1.00 0.00 O ATOM 1551 CB PHE A 96 -16.859 6.671 3.381 1.00 0.00 C ATOM 1552 CG PHE A 96 -16.805 6.113 1.987 1.00 0.00 C ATOM 1553 CD1 PHE A 96 -15.980 5.040 1.688 1.00 0.00 C ATOM 1554 CD2 PHE A 96 -17.577 6.663 0.975 1.00 0.00 C ATOM 1555 CE1 PHE A 96 -15.925 4.525 0.407 1.00 0.00 C ATOM 1556 CE2 PHE A 96 -17.526 6.152 -0.309 1.00 0.00 C ATOM 1557 CZ PHE A 96 -16.699 5.082 -0.592 1.00 0.00 C ATOM 0 H PHE A 96 -14.611 5.776 3.756 1.00 0.00 H new ATOM 0 HA PHE A 96 -15.599 8.375 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -16.896 5.846 4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -17.782 7.237 3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -15.373 4.601 2.466 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.225 7.499 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -15.278 3.689 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.132 6.589 -1.089 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.658 4.681 -1.594 1.00 0.00 H new ATOM 1567 N GLU A 97 -14.854 8.138 5.939 1.00 0.00 N ATOM 1568 CA GLU A 97 -14.916 8.702 7.287 1.00 0.00 C ATOM 1569 C GLU A 97 -13.534 9.145 7.758 1.00 0.00 C ATOM 1570 O GLU A 97 -13.241 10.339 7.836 1.00 0.00 O ATOM 1571 CB GLU A 97 -15.482 7.674 8.272 1.00 0.00 C ATOM 1572 CG GLU A 97 -16.965 7.398 8.092 1.00 0.00 C ATOM 1573 CD GLU A 97 -17.831 8.576 8.495 1.00 0.00 C ATOM 1574 OE1 GLU A 97 -18.201 8.662 9.685 1.00 0.00 O ATOM 1575 OE2 GLU A 97 -18.140 9.414 7.622 1.00 0.00 O ATOM 0 H GLU A 97 -13.965 7.693 5.711 1.00 0.00 H new ATOM 0 HA GLU A 97 -15.573 9.571 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -14.933 6.739 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -15.309 8.027 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.160 7.148 7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -17.243 6.527 8.686 1.00 0.00 H new ATOM 1582 N GLY A 98 -12.692 8.166 8.069 1.00 0.00 N ATOM 1583 CA GLY A 98 -11.348 8.445 8.541 1.00 0.00 C ATOM 1584 C GLY A 98 -10.701 7.215 9.130 1.00 0.00 C ATOM 1585 O GLY A 98 -11.337 6.168 9.248 1.00 0.00 O ATOM 0 H GLY A 98 -12.919 7.174 8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.741 8.816 7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.382 9.234 9.292 1.00 0.00 H new ATOM 1589 N ILE A 99 -9.439 7.338 9.503 1.00 0.00 N ATOM 1590 CA ILE A 99 -8.708 6.217 10.065 1.00 0.00 C ATOM 1591 C ILE A 99 -8.760 6.220 11.583 1.00 0.00 C ATOM 1592 O ILE A 99 -8.861 7.272 12.213 1.00 0.00 O ATOM 1593 CB ILE A 99 -7.251 6.221 9.600 1.00 0.00 C ATOM 1594 CG1 ILE A 99 -7.178 6.626 8.126 1.00 0.00 C ATOM 1595 CG2 ILE A 99 -6.637 4.844 9.818 1.00 0.00 C ATOM 1596 CD1 ILE A 99 -5.776 6.940 7.657 1.00 0.00 C ATOM 0 H ILE A 99 -8.901 8.201 9.427 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.193 5.309 9.705 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.684 6.946 10.183 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.585 5.820 7.515 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.811 7.499 7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.599 4.852 9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.677 4.592 10.878 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.195 4.102 9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -5.799 7.219 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -5.373 7.766 8.243 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.144 6.061 7.786 1.00 0.00 H new ATOM 1608 N LYS A 100 -8.685 5.028 12.161 1.00 0.00 N ATOM 1609 CA LYS A 100 -8.748 4.873 13.606 1.00 0.00 C ATOM 1610 C LYS A 100 -7.715 3.857 14.093 1.00 0.00 C ATOM 1611 O LYS A 100 -7.138 3.117 13.297 1.00 0.00 O ATOM 1612 CB LYS A 100 -10.156 4.433 14.003 1.00 0.00 C ATOM 1613 CG LYS A 100 -11.236 4.987 13.094 1.00 0.00 C ATOM 1614 CD LYS A 100 -11.543 6.439 13.416 1.00 0.00 C ATOM 1615 CE LYS A 100 -13.039 6.681 13.490 1.00 0.00 C ATOM 1616 NZ LYS A 100 -13.359 8.077 13.891 1.00 0.00 N ATOM 0 H LYS A 100 -8.580 4.153 11.648 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.519 5.830 14.075 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.205 3.344 13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.354 4.751 15.027 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.917 4.903 12.055 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -12.142 4.390 13.198 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.081 6.709 14.366 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.105 7.084 12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.489 6.471 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -13.483 5.988 14.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.391 8.199 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.952 8.271 14.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -12.958 8.738 13.196 1.00 0.00 H new ATOM 1630 N PRO A 101 -7.474 3.812 15.414 1.00 0.00 N ATOM 1631 CA PRO A 101 -6.507 2.898 16.025 1.00 0.00 C ATOM 1632 C PRO A 101 -7.049 1.480 16.159 1.00 0.00 C ATOM 1633 O PRO A 101 -6.383 0.511 15.793 1.00 0.00 O ATOM 1634 CB PRO A 101 -6.266 3.508 17.419 1.00 0.00 C ATOM 1635 CG PRO A 101 -7.016 4.805 17.433 1.00 0.00 C ATOM 1636 CD PRO A 101 -8.114 4.651 16.428 1.00 0.00 C ATOM 0 HA PRO A 101 -5.605 2.804 15.421 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.623 2.842 18.204 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -5.203 3.669 17.597 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.419 5.013 18.424 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -6.362 5.638 17.174 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.996 4.175 16.856 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.435 5.610 16.022 1.00 0.00 H new ATOM 1644 N GLU A 102 -8.263 1.369 16.688 1.00 0.00 N ATOM 1645 CA GLU A 102 -8.906 0.072 16.881 1.00 0.00 C ATOM 1646 C GLU A 102 -9.001 -0.711 15.573 1.00 0.00 C ATOM 1647 O GLU A 102 -9.198 -1.925 15.581 1.00 0.00 O ATOM 1648 CB GLU A 102 -10.298 0.260 17.474 1.00 0.00 C ATOM 1649 CG GLU A 102 -11.151 1.213 16.669 1.00 0.00 C ATOM 1650 CD GLU A 102 -12.533 1.409 17.261 1.00 0.00 C ATOM 1651 OE1 GLU A 102 -13.449 0.642 16.896 1.00 0.00 O ATOM 1652 OE2 GLU A 102 -12.700 2.329 18.089 1.00 0.00 O ATOM 0 H GLU A 102 -8.824 2.165 16.992 1.00 0.00 H new ATOM 0 HA GLU A 102 -8.289 -0.503 17.572 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.797 -0.707 17.532 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.207 0.634 18.494 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.648 2.178 16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -11.247 0.836 15.651 1.00 0.00 H new ATOM 1659 N ASN A 103 -8.860 -0.008 14.454 1.00 0.00 N ATOM 1660 CA ASN A 103 -8.935 -0.639 13.140 1.00 0.00 C ATOM 1661 C ASN A 103 -7.821 -1.664 12.956 1.00 0.00 C ATOM 1662 O ASN A 103 -6.834 -1.662 13.692 1.00 0.00 O ATOM 1663 CB ASN A 103 -8.848 0.418 12.041 1.00 0.00 C ATOM 1664 CG ASN A 103 -9.999 1.406 12.083 1.00 0.00 C ATOM 1665 OD1 ASN A 103 -9.858 2.555 11.663 1.00 0.00 O ATOM 1666 ND2 ASN A 103 -11.146 0.967 12.590 1.00 0.00 N ATOM 0 H ASN A 103 -8.693 0.998 14.430 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.893 -1.155 13.071 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.907 0.959 12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.834 -0.075 11.069 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -11.952 1.590 12.642 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -11.220 0.007 12.927 1.00 0.00 H new ATOM 1673 N GLU A 104 -7.987 -2.543 11.967 1.00 0.00 N ATOM 1674 CA GLU A 104 -7.000 -3.566 11.681 1.00 0.00 C ATOM 1675 C GLU A 104 -5.653 -2.940 11.347 1.00 0.00 C ATOM 1676 O GLU A 104 -5.574 -1.762 10.994 1.00 0.00 O ATOM 1677 CB GLU A 104 -7.481 -4.436 10.529 1.00 0.00 C ATOM 1678 CG GLU A 104 -8.006 -5.785 10.981 1.00 0.00 C ATOM 1679 CD GLU A 104 -9.417 -5.708 11.532 1.00 0.00 C ATOM 1680 OE1 GLU A 104 -10.371 -5.856 10.741 1.00 0.00 O ATOM 1681 OE2 GLU A 104 -9.566 -5.501 12.754 1.00 0.00 O ATOM 0 H GLU A 104 -8.801 -2.561 11.353 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.872 -4.186 12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.267 -3.910 9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.659 -4.589 9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.986 -6.479 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.343 -6.191 11.745 1.00 0.00 H new ATOM 1688 N ARG A 105 -4.597 -3.738 11.445 1.00 0.00 N ATOM 1689 CA ARG A 105 -3.248 -3.254 11.182 1.00 0.00 C ATOM 1690 C ARG A 105 -2.460 -4.232 10.312 1.00 0.00 C ATOM 1691 O ARG A 105 -2.862 -5.379 10.124 1.00 0.00 O ATOM 1692 CB ARG A 105 -2.517 -3.043 12.517 1.00 0.00 C ATOM 1693 CG ARG A 105 -1.123 -2.449 12.390 1.00 0.00 C ATOM 1694 CD ARG A 105 -1.180 -0.935 12.400 1.00 0.00 C ATOM 1695 NE ARG A 105 -1.628 -0.429 13.692 1.00 0.00 N ATOM 1696 CZ ARG A 105 -1.744 0.864 13.982 1.00 0.00 C ATOM 1697 NH1 ARG A 105 -1.442 1.781 13.071 1.00 0.00 N ATOM 1698 NH2 ARG A 105 -2.162 1.241 15.182 1.00 0.00 N ATOM 0 H ARG A 105 -4.649 -4.723 11.705 1.00 0.00 H new ATOM 0 HA ARG A 105 -3.322 -2.311 10.640 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.120 -2.389 13.147 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -2.444 -4.001 13.031 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.497 -2.799 13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -0.659 -2.794 11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.194 -0.531 12.171 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.856 -0.589 11.618 1.00 0.00 H new ATOM 0 HE ARG A 105 -1.867 -1.107 14.416 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -1.120 1.495 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -1.532 2.772 13.296 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -2.395 0.539 15.885 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -2.250 2.233 15.403 1.00 0.00 H new ATOM 1712 N TYR A 106 -1.358 -3.738 9.757 1.00 0.00 N ATOM 1713 CA TYR A 106 -0.445 -4.531 8.943 1.00 0.00 C ATOM 1714 C TYR A 106 0.767 -3.675 8.600 1.00 0.00 C ATOM 1715 O TYR A 106 0.974 -3.284 7.453 1.00 0.00 O ATOM 1716 CB TYR A 106 -1.124 -5.062 7.679 1.00 0.00 C ATOM 1717 CG TYR A 106 -0.303 -6.085 6.930 1.00 0.00 C ATOM 1718 CD1 TYR A 106 0.656 -5.704 6.001 1.00 0.00 C ATOM 1719 CD2 TYR A 106 -0.490 -7.440 7.159 1.00 0.00 C ATOM 1720 CE1 TYR A 106 1.404 -6.644 5.321 1.00 0.00 C ATOM 1721 CE2 TYR A 106 0.252 -8.386 6.485 1.00 0.00 C ATOM 1722 CZ TYR A 106 1.199 -7.985 5.567 1.00 0.00 C ATOM 1723 OH TYR A 106 1.942 -8.927 4.893 1.00 0.00 O ATOM 0 H TYR A 106 -1.071 -2.765 9.861 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.129 -5.406 9.511 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.081 -5.507 7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -1.339 -4.225 7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.820 -4.654 5.807 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -1.230 -7.759 7.878 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.145 -6.331 4.601 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.092 -9.437 6.675 1.00 0.00 H new ATOM 0 HH TYR A 106 1.674 -9.824 5.184 1.00 0.00 H new ATOM 1733 N THR A 107 1.550 -3.365 9.627 1.00 0.00 N ATOM 1734 CA THR A 107 2.733 -2.534 9.472 1.00 0.00 C ATOM 1735 C THR A 107 3.957 -3.365 9.102 1.00 0.00 C ATOM 1736 O THR A 107 4.608 -3.954 9.964 1.00 0.00 O ATOM 1737 CB THR A 107 3.022 -1.750 10.764 1.00 0.00 C ATOM 1738 OG1 THR A 107 1.820 -1.133 11.241 1.00 0.00 O ATOM 1739 CG2 THR A 107 4.075 -0.685 10.527 1.00 0.00 C ATOM 0 H THR A 107 1.383 -3.681 10.582 1.00 0.00 H new ATOM 0 HA THR A 107 2.529 -1.835 8.661 1.00 0.00 H new ATOM 0 HB THR A 107 3.396 -2.451 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.534 -1.571 12.069 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.261 -0.145 11.455 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.998 -1.155 10.189 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.723 0.012 9.766 1.00 0.00 H new ATOM 1747 N LEU A 108 4.261 -3.403 7.811 1.00 0.00 N ATOM 1748 CA LEU A 108 5.403 -4.155 7.310 1.00 0.00 C ATOM 1749 C LEU A 108 6.711 -3.417 7.586 1.00 0.00 C ATOM 1750 O LEU A 108 7.182 -2.639 6.758 1.00 0.00 O ATOM 1751 CB LEU A 108 5.248 -4.398 5.806 1.00 0.00 C ATOM 1752 CG LEU A 108 6.411 -5.138 5.140 1.00 0.00 C ATOM 1753 CD1 LEU A 108 6.526 -6.555 5.682 1.00 0.00 C ATOM 1754 CD2 LEU A 108 6.231 -5.157 3.630 1.00 0.00 C ATOM 0 H LEU A 108 3.729 -2.918 7.088 1.00 0.00 H new ATOM 0 HA LEU A 108 5.436 -5.112 7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.333 -4.967 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.120 -3.436 5.310 1.00 0.00 H new ATOM 0 HG LEU A 108 7.335 -4.608 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.358 -7.064 5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.700 -6.520 6.757 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.602 -7.097 5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.066 -5.687 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.299 -5.664 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.199 -4.134 3.254 1.00 0.00 H new ATOM 1766 N HIS A 109 7.287 -3.661 8.760 1.00 0.00 N ATOM 1767 CA HIS A 109 8.545 -3.027 9.135 1.00 0.00 C ATOM 1768 C HIS A 109 9.707 -3.646 8.368 1.00 0.00 C ATOM 1769 O HIS A 109 9.744 -4.855 8.142 1.00 0.00 O ATOM 1770 CB HIS A 109 8.778 -3.138 10.635 1.00 0.00 C ATOM 1771 CG HIS A 109 8.150 -2.034 11.424 1.00 0.00 C ATOM 1772 ND1 HIS A 109 8.849 -0.928 11.859 1.00 0.00 N ATOM 1773 CD2 HIS A 109 6.879 -1.867 11.857 1.00 0.00 C ATOM 1774 CE1 HIS A 109 8.035 -0.129 12.526 1.00 0.00 C ATOM 1775 NE2 HIS A 109 6.833 -0.675 12.538 1.00 0.00 N ATOM 0 H HIS A 109 6.904 -4.291 9.465 1.00 0.00 H new ATOM 0 HA HIS A 109 8.484 -1.970 8.875 1.00 0.00 H new ATOM 0 HB2 HIS A 109 8.385 -4.092 10.985 1.00 0.00 H new ATOM 0 HB3 HIS A 109 9.851 -3.146 10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 109 6.054 -2.545 11.697 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.307 0.811 12.984 1.00 0.00 H new ATOM 0 HE2 HIS A 109 6.005 -0.277 12.981 1.00 0.00 H new ATOM 1784 N LEU A 110 10.664 -2.805 7.996 1.00 0.00 N ATOM 1785 CA LEU A 110 11.818 -3.241 7.220 1.00 0.00 C ATOM 1786 C LEU A 110 13.087 -2.502 7.633 1.00 0.00 C ATOM 1787 O LEU A 110 13.241 -1.313 7.350 1.00 0.00 O ATOM 1788 CB LEU A 110 11.562 -2.999 5.729 1.00 0.00 C ATOM 1789 CG LEU A 110 10.368 -3.755 5.134 1.00 0.00 C ATOM 1790 CD1 LEU A 110 10.139 -3.329 3.692 1.00 0.00 C ATOM 1791 CD2 LEU A 110 10.578 -5.259 5.222 1.00 0.00 C ATOM 0 H LEU A 110 10.663 -1.810 8.221 1.00 0.00 H new ATOM 0 HA LEU A 110 11.961 -4.304 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.408 -1.931 5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.458 -3.276 5.174 1.00 0.00 H new ATOM 0 HG LEU A 110 9.481 -3.505 5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.288 -3.874 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.936 -2.259 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 110 11.029 -3.549 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.717 -5.772 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.476 -5.534 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.691 -5.550 6.266 1.00 0.00 H new ATOM 1803 N ASN A 111 13.992 -3.207 8.302 1.00 0.00 N ATOM 1804 CA ASN A 111 15.258 -2.619 8.715 1.00 0.00 C ATOM 1805 C ASN A 111 16.218 -2.645 7.533 1.00 0.00 C ATOM 1806 O ASN A 111 17.167 -3.430 7.498 1.00 0.00 O ATOM 1807 CB ASN A 111 15.847 -3.382 9.904 1.00 0.00 C ATOM 1808 CG ASN A 111 17.076 -2.706 10.481 1.00 0.00 C ATOM 1809 OD1 ASN A 111 17.821 -2.030 9.772 1.00 0.00 O ATOM 1810 ND2 ASN A 111 17.295 -2.887 11.778 1.00 0.00 N ATOM 0 H ASN A 111 13.872 -4.184 8.569 1.00 0.00 H new ATOM 0 HA ASN A 111 15.095 -1.589 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.089 -3.475 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.107 -4.393 9.589 1.00 0.00 H new ATOM 0 HD21 ASN A 111 18.106 -2.458 12.223 1.00 0.00 H new ATOM 0 HD22 ASN A 111 16.652 -3.455 12.329 1.00 0.00 H new ATOM 1817 N VAL A 112 15.945 -1.783 6.562 1.00 0.00 N ATOM 1818 CA VAL A 112 16.740 -1.704 5.345 1.00 0.00 C ATOM 1819 C VAL A 112 18.224 -1.532 5.652 1.00 0.00 C ATOM 1820 O VAL A 112 18.623 -0.587 6.333 1.00 0.00 O ATOM 1821 CB VAL A 112 16.272 -0.543 4.447 1.00 0.00 C ATOM 1822 CG1 VAL A 112 16.595 -0.833 2.994 1.00 0.00 C ATOM 1823 CG2 VAL A 112 14.782 -0.292 4.620 1.00 0.00 C ATOM 0 H VAL A 112 15.169 -1.122 6.596 1.00 0.00 H new ATOM 0 HA VAL A 112 16.597 -2.647 4.817 1.00 0.00 H new ATOM 0 HB VAL A 112 16.807 0.358 4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 112 16.258 -0.003 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 112 17.672 -0.958 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 112 16.088 -1.747 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 112 14.475 0.532 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 112 14.228 -1.191 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 112 14.574 -0.037 5.659 1.00 0.00 H new ATOM 1833 N LYS A 113 19.038 -2.454 5.145 1.00 0.00 N ATOM 1834 CA LYS A 113 20.479 -2.407 5.357 1.00 0.00 C ATOM 1835 C LYS A 113 21.176 -1.660 4.224 1.00 0.00 C ATOM 1836 O LYS A 113 21.433 -2.286 3.174 1.00 0.00 O ATOM 1837 CB LYS A 113 21.036 -3.825 5.468 1.00 0.00 C ATOM 1838 CG LYS A 113 20.525 -4.581 6.683 1.00 0.00 C ATOM 1839 CD LYS A 113 21.199 -4.102 7.959 1.00 0.00 C ATOM 1840 CE LYS A 113 20.682 -4.849 9.178 1.00 0.00 C ATOM 1841 NZ LYS A 113 21.356 -4.403 10.429 1.00 0.00 N ATOM 1842 OXT LYS A 113 21.460 -0.457 4.397 1.00 0.00 O ATOM 0 H LYS A 113 18.722 -3.244 4.583 1.00 0.00 H new ATOM 0 HA LYS A 113 20.670 -1.870 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 113 20.776 -4.381 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 113 22.124 -3.778 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 113 19.446 -4.449 6.768 1.00 0.00 H new ATOM 0 HG3 LYS A 113 20.707 -5.648 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 113 22.277 -4.241 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 21.024 -3.034 8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 113 19.607 -4.694 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 113 20.840 -5.919 9.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.976 -4.936 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 22.379 -4.574 10.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 21.184 -3.387 10.573 1.00 0.00 H new TER 1856 LYS A 113