USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 599 hydrogens (27 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= 0 X(o=-0.068,f=0.18) USER MOD Set 1.2: A 52 THR OG1 : rot 124:sc= -0.0684 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -125:sc= -0.0255 (180deg=-0.29) USER MOD Set 2.2: A 44 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.36) USER MOD Set 3.1: A 34 GLN : amide:sc= -0.0664 K(o=-0.25,f=-2.2!) USER MOD Set 3.2: A 36 TYR OH : rot 43:sc= -0.188 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.65 K(o=-2.6,f=-10!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.43!) USER MOD Single : A 8 ASN : amide:sc= -2.86! K(o=-2.9!,f=-1.6) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 45:sc= 1.2 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0551 USER MOD Single : A 29 THR OG1 : rot -166:sc= -0.555 USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= -0.0708 (180deg=-0.592) USER MOD Single : A 37 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.83! C(o=-2.8!,f=-4.1!) USER MOD Single : A 51 THR OG1 : rot -88:sc= -0.581 USER MOD Single : A 57 ASN : amide:sc= -2.92 K(o=-2.9,f=-1.7) USER MOD Single : A 60 THR OG1 : rot 120:sc= -0.932 USER MOD Single : A 61 TYR OH : rot 150:sc= -0.995 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.36 (180deg=-1.03) USER MOD Single : A 70 ASN : amide:sc= -2.35 K(o=-2.4,f=-10!) USER MOD Single : A 72 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.5!) USER MOD Single : A 74 GLN : amide:sc= -5.32! K(o=-5.3!,f=-1.8) USER MOD Single : A 77 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.9!) USER MOD Single : A 78 NAG O3 : rot 176:sc= 0.857 USER MOD Single : A 78 NAG O6 : rot 150:sc= -1.07 USER MOD Single : A 79 NAG O3 : rot 148:sc= 0.01 USER MOD Single : A 79 NAG O4 : rot 160:sc= 0.00515 USER MOD Single : A 79 NAG O6 : rot 180:sc=-0.00525 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.433 -12.569 -7.650 1.00 0.00 N ATOM 2 CA LEU A 1 3.591 -11.185 -8.180 1.00 0.00 C ATOM 3 C LEU A 1 4.103 -10.267 -7.070 1.00 0.00 C ATOM 4 O LEU A 1 3.614 -10.287 -5.958 1.00 0.00 O ATOM 5 CB LEU A 1 2.241 -10.667 -8.679 1.00 0.00 C ATOM 6 CG LEU A 1 2.447 -9.337 -9.406 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.008 -9.603 -10.803 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.107 -8.609 -9.525 1.00 0.00 C ATOM 0 H1 LEU A 1 3.085 -13.193 -8.406 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.352 -12.917 -7.310 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.752 -12.564 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 1 4.304 -11.196 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.785 -11.395 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.557 -10.534 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 1 3.148 -8.719 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.155 -8.656 -11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.962 -10.123 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.307 -10.220 -11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.253 -7.661 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.406 -9.226 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.706 -8.420 -8.529 1.00 0.00 H new ATOM 22 N GLN A 2 5.083 -9.461 -7.365 1.00 0.00 N ATOM 23 CA GLN A 2 5.627 -8.538 -6.333 1.00 0.00 C ATOM 24 C GLN A 2 5.098 -7.128 -6.587 1.00 0.00 C ATOM 25 O GLN A 2 4.740 -6.779 -7.694 1.00 0.00 O ATOM 26 CB GLN A 2 7.155 -8.532 -6.407 1.00 0.00 C ATOM 27 CG GLN A 2 7.694 -9.856 -5.862 1.00 0.00 C ATOM 28 CD GLN A 2 8.235 -10.701 -7.016 1.00 0.00 C ATOM 29 OE1 GLN A 2 7.656 -10.738 -8.082 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.332 -11.388 -6.845 1.00 0.00 N ATOM 0 H GLN A 2 5.532 -9.402 -8.279 1.00 0.00 H new ATOM 0 HA GLN A 2 5.315 -8.872 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.480 -8.391 -7.438 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.555 -7.698 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.483 -9.667 -5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.903 -10.396 -5.342 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.819 -11.357 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.702 -11.956 -7.607 1.00 0.00 H new ATOM 39 N CYS A 3 5.043 -6.316 -5.571 1.00 0.00 N ATOM 40 CA CYS A 3 4.534 -4.929 -5.757 1.00 0.00 C ATOM 41 C CYS A 3 5.098 -4.025 -4.660 1.00 0.00 C ATOM 42 O CYS A 3 5.545 -4.487 -3.630 1.00 0.00 O ATOM 43 CB CYS A 3 3.010 -4.933 -5.685 1.00 0.00 C ATOM 44 SG CYS A 3 2.332 -5.504 -7.264 1.00 0.00 S ATOM 0 H CYS A 3 5.328 -6.551 -4.620 1.00 0.00 H new ATOM 0 HA CYS A 3 4.850 -4.554 -6.730 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.675 -5.583 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.643 -3.931 -5.461 1.00 0.00 H new ATOM 49 N TYR A 4 5.083 -2.740 -4.877 1.00 0.00 N ATOM 50 CA TYR A 4 5.623 -1.805 -3.850 1.00 0.00 C ATOM 51 C TYR A 4 4.517 -1.430 -2.860 1.00 0.00 C ATOM 52 O TYR A 4 3.367 -1.281 -3.223 1.00 0.00 O ATOM 53 CB TYR A 4 6.144 -0.543 -4.540 1.00 0.00 C ATOM 54 CG TYR A 4 7.400 -0.878 -5.309 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.638 -0.881 -4.657 1.00 0.00 C ATOM 56 CD2 TYR A 4 7.325 -1.187 -6.672 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.803 -1.192 -5.369 1.00 0.00 C ATOM 58 CE2 TYR A 4 8.489 -1.498 -7.385 1.00 0.00 C ATOM 59 CZ TYR A 4 9.728 -1.500 -6.734 1.00 0.00 C ATOM 60 OH TYR A 4 10.876 -1.807 -7.435 1.00 0.00 O ATOM 0 H TYR A 4 4.720 -2.296 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 4 6.437 -2.289 -3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.386 -0.144 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.352 0.230 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.695 -0.644 -3.605 1.00 0.00 H new ATOM 0 HD2 TYR A 4 6.369 -1.186 -7.174 1.00 0.00 H new ATOM 0 HE1 TYR A 4 10.759 -1.194 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.431 -1.736 -8.437 1.00 0.00 H new ATOM 0 HH TYR A 4 10.648 -1.997 -8.369 1.00 0.00 H new ATOM 70 N ASN A 5 4.859 -1.279 -1.609 1.00 0.00 N ATOM 71 CA ASN A 5 3.834 -0.915 -0.590 1.00 0.00 C ATOM 72 C ASN A 5 4.485 -0.059 0.497 1.00 0.00 C ATOM 73 O ASN A 5 5.075 -0.568 1.429 1.00 0.00 O ATOM 74 CB ASN A 5 3.266 -2.190 0.034 1.00 0.00 C ATOM 75 CG ASN A 5 2.241 -1.822 1.108 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.597 -1.330 2.161 1.00 0.00 O ATOM 77 ND2 ASN A 5 0.975 -2.043 0.885 1.00 0.00 N ATOM 0 H ASN A 5 5.806 -1.392 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 5 3.029 -0.352 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.798 -2.806 -0.734 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.070 -2.782 0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.283 -1.803 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.677 -2.456 0.001 1.00 0.00 H new ATOM 84 N CYS A 6 4.389 1.238 0.384 1.00 0.00 N ATOM 85 CA CYS A 6 5.008 2.122 1.410 1.00 0.00 C ATOM 86 C CYS A 6 3.979 2.456 2.493 1.00 0.00 C ATOM 87 O CYS A 6 2.800 2.211 2.325 1.00 0.00 O ATOM 88 CB CYS A 6 5.487 3.416 0.747 1.00 0.00 C ATOM 89 SG CYS A 6 7.281 3.345 0.513 1.00 0.00 S ATOM 0 H CYS A 6 3.909 1.723 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 6 5.856 1.608 1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.989 3.551 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.224 4.274 1.366 1.00 0.00 H new ATOM 94 N PRO A 7 4.461 3.010 3.577 1.00 0.00 N ATOM 95 CA PRO A 7 3.613 3.398 4.718 1.00 0.00 C ATOM 96 C PRO A 7 2.876 4.705 4.414 1.00 0.00 C ATOM 97 O PRO A 7 2.049 5.157 5.182 1.00 0.00 O ATOM 98 CB PRO A 7 4.613 3.588 5.861 1.00 0.00 C ATOM 99 CG PRO A 7 5.985 3.855 5.198 1.00 0.00 C ATOM 100 CD PRO A 7 5.898 3.300 3.765 1.00 0.00 C ATOM 0 HA PRO A 7 2.843 2.662 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.321 4.422 6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.653 2.702 6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.209 4.922 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.785 3.367 5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.257 4.025 3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.505 2.402 3.648 1.00 0.00 H new ATOM 108 N ASN A 8 3.169 5.317 3.300 1.00 0.00 N ATOM 109 CA ASN A 8 2.485 6.593 2.948 1.00 0.00 C ATOM 110 C ASN A 8 2.420 6.737 1.426 1.00 0.00 C ATOM 111 O ASN A 8 3.228 6.171 0.717 1.00 0.00 O ATOM 112 CB ASN A 8 3.262 7.771 3.539 1.00 0.00 C ATOM 113 CG ASN A 8 3.071 7.802 5.057 1.00 0.00 C ATOM 114 OD1 ASN A 8 4.022 7.950 5.798 1.00 0.00 O ATOM 115 ND2 ASN A 8 1.871 7.669 5.554 1.00 0.00 N ATOM 0 H ASN A 8 3.853 4.989 2.618 1.00 0.00 H new ATOM 0 HA ASN A 8 1.474 6.585 3.355 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.321 7.679 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.915 8.706 3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.732 7.689 6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.072 7.545 4.932 1.00 0.00 H new ATOM 122 N PRO A 9 1.456 7.496 0.972 1.00 0.00 N ATOM 123 CA PRO A 9 1.252 7.743 -0.465 1.00 0.00 C ATOM 124 C PRO A 9 2.271 8.759 -0.975 1.00 0.00 C ATOM 125 O PRO A 9 1.989 9.933 -1.104 1.00 0.00 O ATOM 126 CB PRO A 9 -0.172 8.297 -0.538 1.00 0.00 C ATOM 127 CG PRO A 9 -0.492 8.861 0.867 1.00 0.00 C ATOM 128 CD PRO A 9 0.483 8.181 1.847 1.00 0.00 C ATOM 0 HA PRO A 9 1.381 6.853 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.247 9.077 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.880 7.515 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.369 9.944 0.887 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.526 8.652 1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.972 8.910 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.034 7.475 2.498 1.00 0.00 H new ATOM 136 N THR A 10 3.456 8.305 -1.260 1.00 0.00 N ATOM 137 CA THR A 10 4.512 9.231 -1.761 1.00 0.00 C ATOM 138 C THR A 10 4.799 8.935 -3.234 1.00 0.00 C ATOM 139 O THR A 10 4.216 8.046 -3.825 1.00 0.00 O ATOM 140 CB THR A 10 5.793 9.032 -0.946 1.00 0.00 C ATOM 141 OG1 THR A 10 6.765 9.983 -1.356 1.00 0.00 O ATOM 142 CG2 THR A 10 6.332 7.619 -1.173 1.00 0.00 C ATOM 0 H THR A 10 3.742 7.330 -1.168 1.00 0.00 H new ATOM 0 HA THR A 10 4.168 10.260 -1.658 1.00 0.00 H new ATOM 0 HB THR A 10 5.574 9.168 0.113 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.585 9.858 -0.834 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.244 7.480 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.586 6.890 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.551 7.479 -2.231 1.00 0.00 H new ATOM 150 N ALA A 11 5.695 9.673 -3.831 1.00 0.00 N ATOM 151 CA ALA A 11 6.024 9.438 -5.265 1.00 0.00 C ATOM 152 C ALA A 11 7.501 9.057 -5.391 1.00 0.00 C ATOM 153 O ALA A 11 8.251 9.674 -6.120 1.00 0.00 O ATOM 154 CB ALA A 11 5.753 10.713 -6.066 1.00 0.00 C ATOM 0 H ALA A 11 6.214 10.430 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 11 5.406 8.629 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.994 10.542 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.701 10.984 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.371 11.524 -5.680 1.00 0.00 H new ATOM 160 N ASP A 12 7.922 8.045 -4.685 1.00 0.00 N ATOM 161 CA ASP A 12 9.349 7.623 -4.761 1.00 0.00 C ATOM 162 C ASP A 12 9.566 6.411 -3.854 1.00 0.00 C ATOM 163 O ASP A 12 10.615 6.244 -3.264 1.00 0.00 O ATOM 164 CB ASP A 12 10.250 8.771 -4.304 1.00 0.00 C ATOM 165 CG ASP A 12 11.555 8.746 -5.101 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.784 7.769 -5.795 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.304 9.705 -5.006 1.00 0.00 O ATOM 0 H ASP A 12 7.339 7.491 -4.058 1.00 0.00 H new ATOM 0 HA ASP A 12 9.596 7.360 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.742 9.725 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.461 8.680 -3.238 1.00 0.00 H new ATOM 172 N CYS A 13 8.579 5.567 -3.736 1.00 0.00 N ATOM 173 CA CYS A 13 8.722 4.366 -2.867 1.00 0.00 C ATOM 174 C CYS A 13 9.465 3.269 -3.631 1.00 0.00 C ATOM 175 O CYS A 13 9.384 3.176 -4.840 1.00 0.00 O ATOM 176 CB CYS A 13 7.336 3.858 -2.466 1.00 0.00 C ATOM 177 SG CYS A 13 7.511 2.486 -1.300 1.00 0.00 S ATOM 0 H CYS A 13 7.678 5.658 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 13 9.285 4.631 -1.972 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.759 4.664 -2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.787 3.531 -3.349 1.00 0.00 H new ATOM 182 N LYS A 14 10.188 2.435 -2.935 1.00 0.00 N ATOM 183 CA LYS A 14 10.936 1.345 -3.620 1.00 0.00 C ATOM 184 C LYS A 14 10.918 0.090 -2.747 1.00 0.00 C ATOM 185 O LYS A 14 11.639 -0.858 -2.988 1.00 0.00 O ATOM 186 CB LYS A 14 12.383 1.784 -3.854 1.00 0.00 C ATOM 187 CG LYS A 14 12.805 1.421 -5.279 1.00 0.00 C ATOM 188 CD LYS A 14 14.332 1.374 -5.364 1.00 0.00 C ATOM 189 CE LYS A 14 14.774 1.675 -6.797 1.00 0.00 C ATOM 190 NZ LYS A 14 15.250 0.419 -7.444 1.00 0.00 N ATOM 0 H LYS A 14 10.293 2.462 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 14 10.465 1.129 -4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.477 2.859 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.042 1.299 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.385 0.455 -5.559 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.414 2.155 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.767 2.101 -4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.693 0.392 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.944 2.097 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.570 2.420 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.551 0.623 -8.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.053 0.035 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.478 -0.278 -7.459 1.00 0.00 H new ATOM 204 N THR A 15 10.098 0.073 -1.730 1.00 0.00 N ATOM 205 CA THR A 15 10.038 -1.122 -0.844 1.00 0.00 C ATOM 206 C THR A 15 9.183 -2.207 -1.505 1.00 0.00 C ATOM 207 O THR A 15 7.970 -2.152 -1.492 1.00 0.00 O ATOM 208 CB THR A 15 9.423 -0.727 0.504 1.00 0.00 C ATOM 209 OG1 THR A 15 9.497 -1.830 1.397 1.00 0.00 O ATOM 210 CG2 THR A 15 7.961 -0.326 0.307 1.00 0.00 C ATOM 0 H THR A 15 9.469 0.835 -1.476 1.00 0.00 H new ATOM 0 HA THR A 15 11.045 -1.507 -0.682 1.00 0.00 H new ATOM 0 HB THR A 15 9.974 0.117 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.106 -1.579 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.528 -0.046 1.267 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.905 0.521 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.406 -1.166 -0.110 1.00 0.00 H new ATOM 218 N ALA A 16 9.809 -3.193 -2.088 1.00 0.00 N ATOM 219 CA ALA A 16 9.036 -4.278 -2.753 1.00 0.00 C ATOM 220 C ALA A 16 8.468 -5.226 -1.694 1.00 0.00 C ATOM 221 O ALA A 16 8.935 -5.272 -0.573 1.00 0.00 O ATOM 222 CB ALA A 16 9.957 -5.058 -3.692 1.00 0.00 C ATOM 0 H ALA A 16 10.823 -3.293 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 16 8.218 -3.841 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.392 -5.852 -4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.361 -4.384 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.776 -5.494 -3.119 1.00 0.00 H new ATOM 228 N VAL A 17 7.463 -5.983 -2.042 1.00 0.00 N ATOM 229 CA VAL A 17 6.864 -6.928 -1.056 1.00 0.00 C ATOM 230 C VAL A 17 5.795 -7.779 -1.747 1.00 0.00 C ATOM 231 O VAL A 17 5.036 -7.297 -2.563 1.00 0.00 O ATOM 232 CB VAL A 17 6.223 -6.135 0.084 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.273 -5.085 -0.495 1.00 0.00 C ATOM 234 CG2 VAL A 17 5.436 -7.087 0.988 1.00 0.00 C ATOM 0 H VAL A 17 7.031 -5.988 -2.966 1.00 0.00 H new ATOM 0 HA VAL A 17 7.643 -7.577 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 17 7.002 -5.641 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.816 -4.520 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.831 -4.406 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.494 -5.580 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.979 -6.522 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.657 -7.581 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.110 -7.837 1.402 1.00 0.00 H new ATOM 244 N ASN A 18 5.730 -9.043 -1.425 1.00 0.00 N ATOM 245 CA ASN A 18 4.708 -9.923 -2.062 1.00 0.00 C ATOM 246 C ASN A 18 3.335 -9.254 -1.974 1.00 0.00 C ATOM 247 O ASN A 18 2.944 -8.754 -0.939 1.00 0.00 O ATOM 248 CB ASN A 18 4.663 -11.267 -1.332 1.00 0.00 C ATOM 249 CG ASN A 18 5.716 -12.206 -1.919 1.00 0.00 C ATOM 250 OD1 ASN A 18 5.408 -13.283 -2.390 1.00 0.00 O ATOM 251 ND2 ASN A 18 6.957 -11.807 -1.895 1.00 0.00 N ATOM 0 H ASN A 18 6.340 -9.504 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 18 4.971 -10.085 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.845 -11.120 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.672 -11.711 -1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.193 -10.899 -1.495 1.00 0.00 H new ATOM 257 N CYS A 19 2.599 -9.243 -3.051 1.00 0.00 N ATOM 258 CA CYS A 19 1.251 -8.607 -3.020 1.00 0.00 C ATOM 259 C CYS A 19 0.463 -9.135 -1.817 1.00 0.00 C ATOM 260 O CYS A 19 0.567 -8.623 -0.721 1.00 0.00 O ATOM 261 CB CYS A 19 0.499 -8.940 -4.309 1.00 0.00 C ATOM 262 SG CYS A 19 0.845 -7.675 -5.553 1.00 0.00 S ATOM 0 H CYS A 19 2.871 -9.645 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 19 1.362 -7.526 -2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.803 -9.920 -4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.572 -8.991 -4.115 1.00 0.00 H new ATOM 267 N SER A 20 -0.328 -10.156 -2.016 1.00 0.00 N ATOM 268 CA SER A 20 -1.124 -10.715 -0.889 1.00 0.00 C ATOM 269 C SER A 20 -1.919 -11.923 -1.385 1.00 0.00 C ATOM 270 O SER A 20 -1.742 -12.381 -2.497 1.00 0.00 O ATOM 271 CB SER A 20 -2.092 -9.650 -0.370 1.00 0.00 C ATOM 272 OG SER A 20 -1.538 -9.033 0.785 1.00 0.00 O ATOM 0 H SER A 20 -0.456 -10.626 -2.912 1.00 0.00 H new ATOM 0 HA SER A 20 -0.454 -11.020 -0.085 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.277 -8.903 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.053 -10.103 -0.128 1.00 0.00 H new ATOM 0 HG SER A 20 -0.593 -8.828 0.625 1.00 0.00 H new ATOM 278 N SER A 21 -2.798 -12.442 -0.574 1.00 0.00 N ATOM 279 CA SER A 21 -3.602 -13.618 -1.008 1.00 0.00 C ATOM 280 C SER A 21 -4.547 -13.194 -2.135 1.00 0.00 C ATOM 281 O SER A 21 -4.504 -13.728 -3.227 1.00 0.00 O ATOM 282 CB SER A 21 -4.418 -14.141 0.175 1.00 0.00 C ATOM 283 OG SER A 21 -3.730 -13.847 1.384 1.00 0.00 O ATOM 0 H SER A 21 -2.994 -12.104 0.368 1.00 0.00 H new ATOM 0 HA SER A 21 -2.938 -14.405 -1.365 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.406 -13.680 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.569 -15.216 0.081 1.00 0.00 H new ATOM 0 HG SER A 21 -4.250 -14.179 2.145 1.00 0.00 H new ATOM 289 N ASP A 22 -5.395 -12.235 -1.884 1.00 0.00 N ATOM 290 CA ASP A 22 -6.337 -11.776 -2.942 1.00 0.00 C ATOM 291 C ASP A 22 -5.710 -10.605 -3.703 1.00 0.00 C ATOM 292 O ASP A 22 -6.227 -9.505 -3.705 1.00 0.00 O ATOM 293 CB ASP A 22 -7.648 -11.322 -2.295 1.00 0.00 C ATOM 294 CG ASP A 22 -8.188 -12.439 -1.401 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.611 -12.659 -0.348 1.00 0.00 O ATOM 296 OD2 ASP A 22 -9.168 -13.057 -1.783 1.00 0.00 O ATOM 0 H ASP A 22 -5.476 -11.749 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.539 -12.594 -3.633 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.482 -10.419 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.378 -11.072 -3.064 1.00 0.00 H new ATOM 301 N PHE A 23 -4.597 -10.833 -4.344 1.00 0.00 N ATOM 302 CA PHE A 23 -3.932 -9.736 -5.101 1.00 0.00 C ATOM 303 C PHE A 23 -3.121 -10.330 -6.255 1.00 0.00 C ATOM 304 O PHE A 23 -2.311 -11.216 -6.064 1.00 0.00 O ATOM 305 CB PHE A 23 -2.998 -8.972 -4.161 1.00 0.00 C ATOM 306 CG PHE A 23 -3.809 -8.051 -3.284 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.422 -8.547 -2.126 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.951 -6.701 -3.627 1.00 0.00 C ATOM 309 CE1 PHE A 23 -5.176 -7.692 -1.313 1.00 0.00 C ATOM 310 CE2 PHE A 23 -4.703 -5.847 -2.812 1.00 0.00 C ATOM 311 CZ PHE A 23 -5.316 -6.343 -1.655 1.00 0.00 C ATOM 0 H PHE A 23 -4.119 -11.733 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.685 -9.057 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.432 -9.672 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.274 -8.397 -4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.313 -9.588 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.480 -6.319 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.650 -8.074 -0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.810 -4.805 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 23 -5.897 -5.684 -1.027 1.00 0.00 H new ATOM 321 N ASP A 24 -3.330 -9.854 -7.452 1.00 0.00 N ATOM 322 CA ASP A 24 -2.567 -10.397 -8.611 1.00 0.00 C ATOM 323 C ASP A 24 -2.457 -9.328 -9.701 1.00 0.00 C ATOM 324 O ASP A 24 -2.256 -9.630 -10.861 1.00 0.00 O ATOM 325 CB ASP A 24 -3.294 -11.623 -9.171 1.00 0.00 C ATOM 326 CG ASP A 24 -2.342 -12.411 -10.074 1.00 0.00 C ATOM 327 OD1 ASP A 24 -1.154 -12.405 -9.798 1.00 0.00 O ATOM 328 OD2 ASP A 24 -2.819 -13.009 -11.025 1.00 0.00 O ATOM 0 H ASP A 24 -3.995 -9.114 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.568 -10.683 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.645 -12.255 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.173 -11.312 -9.735 1.00 0.00 H new ATOM 333 N ALA A 25 -2.588 -8.082 -9.339 1.00 0.00 N ATOM 334 CA ALA A 25 -2.492 -6.996 -10.355 1.00 0.00 C ATOM 335 C ALA A 25 -1.816 -5.776 -9.728 1.00 0.00 C ATOM 336 O ALA A 25 -2.436 -5.012 -9.018 1.00 0.00 O ATOM 337 CB ALA A 25 -3.898 -6.614 -10.824 1.00 0.00 C ATOM 0 H ALA A 25 -2.757 -7.768 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.906 -7.341 -11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.830 -5.820 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.383 -7.484 -11.266 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.483 -6.266 -9.973 1.00 0.00 H new ATOM 343 N CYS A 26 -0.554 -5.574 -9.985 1.00 0.00 N ATOM 344 CA CYS A 26 0.129 -4.391 -9.393 1.00 0.00 C ATOM 345 C CYS A 26 -0.655 -3.143 -9.784 1.00 0.00 C ATOM 346 O CYS A 26 -1.124 -3.022 -10.896 1.00 0.00 O ATOM 347 CB CYS A 26 1.560 -4.289 -9.923 1.00 0.00 C ATOM 348 SG CYS A 26 2.696 -3.988 -8.547 1.00 0.00 S ATOM 0 H CYS A 26 0.029 -6.170 -10.573 1.00 0.00 H new ATOM 0 HA CYS A 26 0.169 -4.489 -8.308 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.834 -5.209 -10.439 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.632 -3.481 -10.651 1.00 0.00 H new ATOM 353 N LEU A 27 -0.823 -2.224 -8.879 1.00 0.00 N ATOM 354 CA LEU A 27 -1.603 -1.005 -9.212 1.00 0.00 C ATOM 355 C LEU A 27 -0.707 0.231 -9.177 1.00 0.00 C ATOM 356 O LEU A 27 -0.014 0.488 -8.213 1.00 0.00 O ATOM 357 CB LEU A 27 -2.736 -0.854 -8.199 1.00 0.00 C ATOM 358 CG LEU A 27 -3.451 0.478 -8.405 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.588 0.290 -9.409 1.00 0.00 C ATOM 360 CD2 LEU A 27 -4.021 0.951 -7.066 1.00 0.00 C ATOM 0 H LEU A 27 -0.456 -2.264 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.012 -1.102 -10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.444 -1.676 -8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.338 -0.909 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.751 1.221 -8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.102 1.240 -9.559 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.181 -0.056 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.293 -0.447 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.534 1.903 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.726 0.210 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.209 1.077 -6.349 1.00 0.00 H new ATOM 372 N ILE A 28 -0.736 1.007 -10.225 1.00 0.00 N ATOM 373 CA ILE A 28 0.087 2.244 -10.271 1.00 0.00 C ATOM 374 C ILE A 28 -0.848 3.442 -10.431 1.00 0.00 C ATOM 375 O ILE A 28 -1.381 3.691 -11.495 1.00 0.00 O ATOM 376 CB ILE A 28 1.050 2.178 -11.458 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.678 3.557 -11.682 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.284 1.758 -12.713 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.150 3.390 -12.066 1.00 0.00 C ATOM 0 H ILE A 28 -1.300 0.834 -11.057 1.00 0.00 H new ATOM 0 HA ILE A 28 0.666 2.343 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 28 1.834 1.450 -11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.144 4.088 -12.469 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.593 4.159 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.970 1.711 -13.559 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.165 0.777 -12.554 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.500 2.486 -12.921 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.598 4.371 -12.226 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.679 2.876 -11.264 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.223 2.804 -12.982 1.00 0.00 H new ATOM 391 N THR A 29 -1.070 4.168 -9.373 1.00 0.00 N ATOM 392 CA THR A 29 -1.985 5.339 -9.441 1.00 0.00 C ATOM 393 C THR A 29 -1.173 6.620 -9.645 1.00 0.00 C ATOM 394 O THR A 29 -0.026 6.710 -9.255 1.00 0.00 O ATOM 395 CB THR A 29 -2.757 5.434 -8.125 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.109 4.129 -7.687 1.00 0.00 O ATOM 397 CG2 THR A 29 -4.022 6.260 -8.328 1.00 0.00 C ATOM 0 H THR A 29 -0.654 3.999 -8.457 1.00 0.00 H new ATOM 0 HA THR A 29 -2.676 5.218 -10.275 1.00 0.00 H new ATOM 0 HB THR A 29 -2.130 5.914 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.782 4.192 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.569 6.325 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.753 7.262 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.650 5.784 -9.081 1.00 0.00 H new ATOM 405 N LYS A 30 -1.765 7.614 -10.247 1.00 0.00 N ATOM 406 CA LYS A 30 -1.033 8.893 -10.468 1.00 0.00 C ATOM 407 C LYS A 30 -2.015 10.062 -10.371 1.00 0.00 C ATOM 408 O LYS A 30 -2.571 10.504 -11.357 1.00 0.00 O ATOM 409 CB LYS A 30 -0.385 8.884 -11.854 1.00 0.00 C ATOM 410 CG LYS A 30 0.639 10.017 -11.943 1.00 0.00 C ATOM 411 CD LYS A 30 2.032 9.432 -12.185 1.00 0.00 C ATOM 412 CE LYS A 30 3.036 10.569 -12.383 1.00 0.00 C ATOM 413 NZ LYS A 30 2.696 11.319 -13.625 1.00 0.00 N ATOM 0 H LYS A 30 -2.723 7.596 -10.595 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.258 9.002 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.101 7.925 -12.034 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.146 9.006 -12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.374 10.698 -12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.633 10.599 -11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.330 8.813 -11.339 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.019 8.787 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.017 11.239 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.047 10.168 -12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.543 11.405 -14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.955 10.809 -14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.352 12.268 -13.374 1.00 0.00 H new ATOM 427 N ALA A 31 -2.231 10.567 -9.186 1.00 0.00 N ATOM 428 CA ALA A 31 -3.175 11.707 -9.021 1.00 0.00 C ATOM 429 C ALA A 31 -2.419 13.027 -9.189 1.00 0.00 C ATOM 430 O ALA A 31 -1.380 13.081 -9.816 1.00 0.00 O ATOM 431 CB ALA A 31 -3.801 11.653 -7.625 1.00 0.00 C ATOM 0 H ALA A 31 -1.794 10.238 -8.325 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.959 11.640 -9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.492 12.487 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.341 10.714 -7.505 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.016 11.719 -6.872 1.00 0.00 H new ATOM 437 N GLY A 32 -2.933 14.092 -8.637 1.00 0.00 N ATOM 438 CA GLY A 32 -2.243 15.406 -8.768 1.00 0.00 C ATOM 439 C GLY A 32 -0.743 15.224 -8.533 1.00 0.00 C ATOM 440 O GLY A 32 0.034 15.128 -9.461 1.00 0.00 O ATOM 0 H GLY A 32 -3.801 14.109 -8.101 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.418 15.823 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.651 16.115 -8.048 1.00 0.00 H new ATOM 444 N LEU A 33 -0.329 15.174 -7.295 1.00 0.00 N ATOM 445 CA LEU A 33 1.120 14.996 -7.000 1.00 0.00 C ATOM 446 C LEU A 33 1.293 13.886 -5.961 1.00 0.00 C ATOM 447 O LEU A 33 2.191 13.921 -5.144 1.00 0.00 O ATOM 448 CB LEU A 33 1.693 16.305 -6.453 1.00 0.00 C ATOM 449 CG LEU A 33 1.035 16.631 -5.112 1.00 0.00 C ATOM 450 CD1 LEU A 33 2.117 16.899 -4.064 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.158 17.875 -5.268 1.00 0.00 C ATOM 0 H LEU A 33 -0.933 15.249 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 33 1.649 14.724 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.772 16.217 -6.328 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.519 17.115 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 33 0.422 15.789 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.648 17.131 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.745 16.015 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.730 17.742 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.313 18.110 -4.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.773 18.716 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.612 17.686 -6.016 1.00 0.00 H new ATOM 463 N GLN A 34 0.439 12.899 -5.988 1.00 0.00 N ATOM 464 CA GLN A 34 0.555 11.785 -5.005 1.00 0.00 C ATOM 465 C GLN A 34 0.449 10.447 -5.739 1.00 0.00 C ATOM 466 O GLN A 34 -0.527 10.171 -6.410 1.00 0.00 O ATOM 467 CB GLN A 34 -0.569 11.890 -3.970 1.00 0.00 C ATOM 468 CG GLN A 34 -1.809 12.514 -4.615 1.00 0.00 C ATOM 469 CD GLN A 34 -2.829 12.857 -3.528 1.00 0.00 C ATOM 470 OE1 GLN A 34 -2.667 12.481 -2.385 1.00 0.00 O ATOM 471 NE2 GLN A 34 -3.881 13.564 -3.840 1.00 0.00 N ATOM 0 H GLN A 34 -0.334 12.816 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 34 1.518 11.849 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.809 10.901 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.243 12.496 -3.125 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.532 13.413 -5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.246 11.821 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.017 13.880 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.567 13.801 -3.123 1.00 0.00 H new ATOM 480 N VAL A 35 1.448 9.618 -5.622 1.00 0.00 N ATOM 481 CA VAL A 35 1.406 8.300 -6.316 1.00 0.00 C ATOM 482 C VAL A 35 1.008 7.208 -5.323 1.00 0.00 C ATOM 483 O VAL A 35 1.596 7.069 -4.269 1.00 0.00 O ATOM 484 CB VAL A 35 2.785 7.985 -6.896 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.717 6.682 -7.695 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.224 9.125 -7.818 1.00 0.00 C ATOM 0 H VAL A 35 2.291 9.795 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 35 0.673 8.339 -7.122 1.00 0.00 H new ATOM 0 HB VAL A 35 3.504 7.877 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.700 6.457 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.405 5.869 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.998 6.790 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.207 8.900 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.505 9.234 -8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.273 10.054 -7.250 1.00 0.00 H new ATOM 496 N TYR A 36 0.013 6.433 -5.651 1.00 0.00 N ATOM 497 CA TYR A 36 -0.422 5.350 -4.727 1.00 0.00 C ATOM 498 C TYR A 36 0.208 4.029 -5.160 1.00 0.00 C ATOM 499 O TYR A 36 -0.396 3.232 -5.850 1.00 0.00 O ATOM 500 CB TYR A 36 -1.946 5.238 -4.764 1.00 0.00 C ATOM 501 CG TYR A 36 -2.543 6.550 -4.319 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.705 7.592 -5.239 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.929 6.726 -2.986 1.00 0.00 C ATOM 504 CE1 TYR A 36 -3.254 8.811 -4.826 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.479 7.944 -2.572 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.641 8.987 -3.492 1.00 0.00 C ATOM 507 OH TYR A 36 -4.183 10.189 -3.084 1.00 0.00 O ATOM 0 H TYR A 36 -0.518 6.503 -6.519 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.102 5.581 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.282 4.994 -5.772 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.281 4.431 -4.112 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.406 7.455 -6.268 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.802 5.922 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.379 9.615 -5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.778 8.080 -1.543 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.831 10.499 -3.751 1.00 0.00 H new ATOM 517 N ASN A 37 1.424 3.795 -4.756 1.00 0.00 N ATOM 518 CA ASN A 37 2.110 2.530 -5.137 1.00 0.00 C ATOM 519 C ASN A 37 1.602 1.393 -4.251 1.00 0.00 C ATOM 520 O ASN A 37 2.123 1.146 -3.182 1.00 0.00 O ATOM 521 CB ASN A 37 3.619 2.687 -4.943 1.00 0.00 C ATOM 522 CG ASN A 37 4.301 2.792 -6.309 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.642 2.893 -7.325 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.605 2.773 -6.378 1.00 0.00 N ATOM 0 H ASN A 37 1.975 4.428 -4.176 1.00 0.00 H new ATOM 0 HA ASN A 37 1.900 2.304 -6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.830 3.577 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.016 1.835 -4.391 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.069 2.843 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.160 2.688 -5.526 1.00 0.00 H new ATOM 531 N LYS A 38 0.587 0.699 -4.684 1.00 0.00 N ATOM 532 CA LYS A 38 0.049 -0.418 -3.860 1.00 0.00 C ATOM 533 C LYS A 38 -0.426 -1.546 -4.773 1.00 0.00 C ATOM 534 O LYS A 38 -0.750 -1.335 -5.924 1.00 0.00 O ATOM 535 CB LYS A 38 -1.129 0.087 -3.025 1.00 0.00 C ATOM 536 CG LYS A 38 -0.957 -0.370 -1.576 1.00 0.00 C ATOM 537 CD LYS A 38 -2.181 0.049 -0.758 1.00 0.00 C ATOM 538 CE LYS A 38 -2.153 1.563 -0.537 1.00 0.00 C ATOM 539 NZ LYS A 38 -3.110 1.922 0.547 1.00 0.00 N ATOM 0 H LYS A 38 0.108 0.857 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 38 0.833 -0.790 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.182 1.175 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.066 -0.295 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.834 -1.452 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.055 0.069 -1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.095 -0.236 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.186 -0.469 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.146 1.884 -0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.419 2.081 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.093 2.951 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.070 1.629 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.837 1.438 1.426 1.00 0.00 H new ATOM 553 N CYS A 39 -0.477 -2.742 -4.264 1.00 0.00 N ATOM 554 CA CYS A 39 -0.940 -3.884 -5.098 1.00 0.00 C ATOM 555 C CYS A 39 -2.464 -3.836 -5.197 1.00 0.00 C ATOM 556 O CYS A 39 -3.132 -3.301 -4.334 1.00 0.00 O ATOM 557 CB CYS A 39 -0.511 -5.203 -4.457 1.00 0.00 C ATOM 558 SG CYS A 39 -0.837 -6.559 -5.609 1.00 0.00 S ATOM 0 H CYS A 39 -0.218 -2.979 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.499 -3.814 -6.093 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.549 -5.171 -4.205 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.055 -5.362 -3.526 1.00 0.00 H new ATOM 563 N TRP A 40 -3.021 -4.368 -6.246 1.00 0.00 N ATOM 564 CA TRP A 40 -4.494 -4.323 -6.396 1.00 0.00 C ATOM 565 C TRP A 40 -4.962 -5.486 -7.276 1.00 0.00 C ATOM 566 O TRP A 40 -4.186 -6.094 -7.984 1.00 0.00 O ATOM 567 CB TRP A 40 -4.857 -2.999 -7.060 1.00 0.00 C ATOM 568 CG TRP A 40 -6.225 -2.585 -6.656 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.363 -3.080 -7.175 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.613 -1.596 -5.667 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.439 -2.454 -6.568 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.024 -1.527 -5.627 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.881 -0.761 -4.808 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.689 -0.654 -4.765 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.544 0.120 -3.938 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.946 0.173 -3.917 1.00 0.00 C ATOM 0 H TRP A 40 -2.519 -4.831 -7.004 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.977 -4.407 -5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.137 -2.231 -6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.804 -3.100 -8.144 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.427 -3.840 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.416 -2.651 -6.787 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.802 -0.796 -4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.768 -0.617 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.972 0.760 -3.282 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.451 0.852 -3.246 1.00 0.00 H new ATOM 587 N LYS A 41 -6.227 -5.798 -7.242 1.00 0.00 N ATOM 588 CA LYS A 41 -6.736 -6.914 -8.085 1.00 0.00 C ATOM 589 C LYS A 41 -6.976 -6.395 -9.503 1.00 0.00 C ATOM 590 O LYS A 41 -7.201 -5.220 -9.711 1.00 0.00 O ATOM 591 CB LYS A 41 -8.051 -7.436 -7.505 1.00 0.00 C ATOM 592 CG LYS A 41 -8.061 -8.965 -7.554 1.00 0.00 C ATOM 593 CD LYS A 41 -9.315 -9.489 -6.857 1.00 0.00 C ATOM 594 CE LYS A 41 -8.969 -9.895 -5.423 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.267 -8.763 -4.500 1.00 0.00 N ATOM 0 H LYS A 41 -6.929 -5.330 -6.668 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.006 -7.723 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.168 -7.094 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.893 -7.038 -8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.038 -9.306 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.169 -9.361 -7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.089 -8.722 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.717 -10.344 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.544 -10.775 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.915 -10.166 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.415 -8.530 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.561 -7.932 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.033 -9.036 -3.852 1.00 0.00 H new ATOM 609 N PHE A 42 -6.932 -7.256 -10.480 1.00 0.00 N ATOM 610 CA PHE A 42 -7.165 -6.800 -11.877 1.00 0.00 C ATOM 611 C PHE A 42 -8.667 -6.667 -12.110 1.00 0.00 C ATOM 612 O PHE A 42 -9.110 -6.007 -13.028 1.00 0.00 O ATOM 613 CB PHE A 42 -6.579 -7.817 -12.858 1.00 0.00 C ATOM 614 CG PHE A 42 -6.876 -7.378 -14.272 1.00 0.00 C ATOM 615 CD1 PHE A 42 -8.086 -7.739 -14.875 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.942 -6.612 -14.979 1.00 0.00 C ATOM 617 CE1 PHE A 42 -8.363 -7.331 -16.186 1.00 0.00 C ATOM 618 CE2 PHE A 42 -6.219 -6.205 -16.289 1.00 0.00 C ATOM 619 CZ PHE A 42 -7.430 -6.566 -16.893 1.00 0.00 C ATOM 0 H PHE A 42 -6.745 -8.253 -10.372 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.680 -5.837 -12.035 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.502 -7.903 -12.711 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.005 -8.803 -12.674 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.806 -8.332 -14.330 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.008 -6.335 -14.514 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.298 -7.607 -16.651 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.499 -5.613 -16.834 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.643 -6.254 -17.905 1.00 0.00 H new ATOM 629 N GLU A 43 -9.456 -7.286 -11.276 1.00 0.00 N ATOM 630 CA GLU A 43 -10.929 -7.193 -11.441 1.00 0.00 C ATOM 631 C GLU A 43 -11.429 -5.921 -10.757 1.00 0.00 C ATOM 632 O GLU A 43 -12.447 -5.367 -11.119 1.00 0.00 O ATOM 633 CB GLU A 43 -11.596 -8.413 -10.803 1.00 0.00 C ATOM 634 CG GLU A 43 -13.076 -8.444 -11.187 1.00 0.00 C ATOM 635 CD GLU A 43 -13.385 -9.743 -11.934 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.562 -10.642 -11.886 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.442 -9.818 -12.540 1.00 0.00 O ATOM 0 H GLU A 43 -9.142 -7.852 -10.488 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.178 -7.163 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.103 -9.326 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.491 -8.373 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.696 -8.370 -10.293 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.318 -7.586 -11.814 1.00 0.00 H new ATOM 644 N HIS A 44 -10.716 -5.453 -9.770 1.00 0.00 N ATOM 645 CA HIS A 44 -11.145 -4.215 -9.064 1.00 0.00 C ATOM 646 C HIS A 44 -10.436 -3.009 -9.681 1.00 0.00 C ATOM 647 O HIS A 44 -10.484 -1.914 -9.155 1.00 0.00 O ATOM 648 CB HIS A 44 -10.779 -4.317 -7.582 1.00 0.00 C ATOM 649 CG HIS A 44 -11.481 -5.497 -6.968 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.510 -5.707 -5.597 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.186 -6.537 -7.520 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.210 -6.834 -5.374 1.00 0.00 C ATOM 653 NE2 HIS A 44 -12.645 -7.381 -6.513 1.00 0.00 N ATOM 0 H HIS A 44 -9.855 -5.875 -9.422 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.224 -4.096 -9.163 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.700 -4.425 -7.470 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.063 -3.402 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.359 -6.679 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.398 -7.247 -4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.195 -8.233 -6.621 1.00 0.00 H new ATOM 661 N CYS A 45 -9.774 -3.197 -10.790 1.00 0.00 N ATOM 662 CA CYS A 45 -9.062 -2.056 -11.430 1.00 0.00 C ATOM 663 C CYS A 45 -10.010 -1.320 -12.378 1.00 0.00 C ATOM 664 O CYS A 45 -10.029 -1.564 -13.568 1.00 0.00 O ATOM 665 CB CYS A 45 -7.861 -2.575 -12.218 1.00 0.00 C ATOM 666 SG CYS A 45 -6.381 -1.659 -11.721 1.00 0.00 S ATOM 0 H CYS A 45 -9.696 -4.089 -11.279 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.720 -1.370 -10.655 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.723 -3.640 -12.033 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.034 -2.457 -13.288 1.00 0.00 H new ATOM 671 N ASN A 46 -10.792 -0.416 -11.859 1.00 0.00 N ATOM 672 CA ASN A 46 -11.736 0.345 -12.724 1.00 0.00 C ATOM 673 C ASN A 46 -11.883 1.764 -12.172 1.00 0.00 C ATOM 674 O ASN A 46 -11.201 2.150 -11.244 1.00 0.00 O ATOM 675 CB ASN A 46 -13.102 -0.346 -12.727 1.00 0.00 C ATOM 676 CG ASN A 46 -12.918 -1.842 -12.987 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.241 -2.230 -13.919 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.497 -2.705 -12.198 1.00 0.00 N ATOM 0 H ASN A 46 -10.818 -0.170 -10.869 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.351 0.383 -13.743 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.601 -0.191 -11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.741 0.091 -13.495 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.381 -3.705 -12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.065 -2.380 -11.416 1.00 0.00 H new ATOM 685 N PHE A 47 -12.770 2.543 -12.728 1.00 0.00 N ATOM 686 CA PHE A 47 -12.954 3.931 -12.220 1.00 0.00 C ATOM 687 C PHE A 47 -13.979 3.921 -11.085 1.00 0.00 C ATOM 688 O PHE A 47 -14.837 4.777 -10.997 1.00 0.00 O ATOM 689 CB PHE A 47 -13.444 4.835 -13.353 1.00 0.00 C ATOM 690 CG PHE A 47 -12.775 6.185 -13.238 1.00 0.00 C ATOM 691 CD1 PHE A 47 -12.843 6.898 -12.037 1.00 0.00 C ATOM 692 CD2 PHE A 47 -12.083 6.719 -14.332 1.00 0.00 C ATOM 693 CE1 PHE A 47 -12.220 8.148 -11.927 1.00 0.00 C ATOM 694 CE2 PHE A 47 -11.460 7.967 -14.223 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.529 8.682 -13.020 1.00 0.00 C ATOM 0 H PHE A 47 -13.372 2.280 -13.508 1.00 0.00 H new ATOM 0 HA PHE A 47 -12.003 4.312 -11.848 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.215 4.384 -14.319 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.527 4.947 -13.302 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.376 6.485 -11.194 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -12.030 6.168 -15.259 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.273 8.699 -11.000 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.926 8.379 -15.066 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.049 9.646 -12.936 1.00 0.00 H new ATOM 705 N ASN A 48 -13.890 2.953 -10.213 1.00 0.00 N ATOM 706 CA ASN A 48 -14.849 2.874 -9.075 1.00 0.00 C ATOM 707 C ASN A 48 -14.324 1.868 -8.049 1.00 0.00 C ATOM 708 O ASN A 48 -14.334 2.116 -6.860 1.00 0.00 O ATOM 709 CB ASN A 48 -16.218 2.417 -9.587 1.00 0.00 C ATOM 710 CG ASN A 48 -17.289 3.411 -9.134 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.434 4.470 -9.712 1.00 0.00 O ATOM 712 ND2 ASN A 48 -18.048 3.115 -8.116 1.00 0.00 N ATOM 0 H ASN A 48 -13.191 2.211 -10.241 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.950 3.855 -8.611 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.207 2.348 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.447 1.421 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.763 3.772 -7.805 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.927 2.226 -7.631 1.00 0.00 H new ATOM 719 N ASP A 49 -13.857 0.735 -8.500 1.00 0.00 N ATOM 720 CA ASP A 49 -13.325 -0.280 -7.549 1.00 0.00 C ATOM 721 C ASP A 49 -12.040 0.254 -6.915 1.00 0.00 C ATOM 722 O ASP A 49 -11.553 -0.269 -5.933 1.00 0.00 O ATOM 723 CB ASP A 49 -13.029 -1.582 -8.298 1.00 0.00 C ATOM 724 CG ASP A 49 -14.293 -2.443 -8.335 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.354 -1.913 -8.051 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.179 -3.616 -8.648 1.00 0.00 O ATOM 0 H ASP A 49 -13.821 0.470 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.063 -0.477 -6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.694 -1.364 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.221 -2.123 -7.805 1.00 0.00 H new ATOM 731 N VAL A 50 -11.491 1.301 -7.470 1.00 0.00 N ATOM 732 CA VAL A 50 -10.241 1.882 -6.904 1.00 0.00 C ATOM 733 C VAL A 50 -10.521 3.311 -6.432 1.00 0.00 C ATOM 734 O VAL A 50 -10.098 3.719 -5.370 1.00 0.00 O ATOM 735 CB VAL A 50 -9.151 1.898 -7.977 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.995 2.791 -7.523 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.634 0.476 -8.199 1.00 0.00 C ATOM 0 H VAL A 50 -11.856 1.780 -8.293 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.904 1.278 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.566 2.287 -8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.220 2.801 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.360 3.806 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.580 2.404 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.857 0.487 -8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.221 0.089 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.455 -0.163 -8.525 1.00 0.00 H new ATOM 747 N THR A 51 -11.234 4.074 -7.216 1.00 0.00 N ATOM 748 CA THR A 51 -11.543 5.474 -6.811 1.00 0.00 C ATOM 749 C THR A 51 -12.507 5.453 -5.623 1.00 0.00 C ATOM 750 O THR A 51 -12.655 6.428 -4.914 1.00 0.00 O ATOM 751 CB THR A 51 -12.193 6.217 -7.980 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.782 5.277 -8.868 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.133 7.031 -8.726 1.00 0.00 C ATOM 0 H THR A 51 -11.615 3.788 -8.118 1.00 0.00 H new ATOM 0 HA THR A 51 -10.621 5.983 -6.529 1.00 0.00 H new ATOM 0 HB THR A 51 -12.961 6.890 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.116 4.988 -9.526 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.599 7.559 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.682 7.753 -8.045 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.362 6.362 -9.107 1.00 0.00 H new ATOM 761 N THR A 52 -13.167 4.349 -5.404 1.00 0.00 N ATOM 762 CA THR A 52 -14.122 4.261 -4.270 1.00 0.00 C ATOM 763 C THR A 52 -13.432 3.599 -3.075 1.00 0.00 C ATOM 764 O THR A 52 -13.660 3.963 -1.938 1.00 0.00 O ATOM 765 CB THR A 52 -15.326 3.423 -4.691 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.716 3.786 -6.008 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.483 3.675 -3.729 1.00 0.00 C ATOM 0 H THR A 52 -13.084 3.502 -5.966 1.00 0.00 H new ATOM 0 HA THR A 52 -14.453 5.261 -3.990 1.00 0.00 H new ATOM 0 HB THR A 52 -15.060 2.366 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.712 2.991 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.343 3.077 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.183 3.397 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.751 4.731 -3.751 1.00 0.00 H new ATOM 775 N ARG A 53 -12.586 2.636 -3.321 1.00 0.00 N ATOM 776 CA ARG A 53 -11.883 1.967 -2.193 1.00 0.00 C ATOM 777 C ARG A 53 -10.969 2.986 -1.518 1.00 0.00 C ATOM 778 O ARG A 53 -10.817 3.003 -0.313 1.00 0.00 O ATOM 779 CB ARG A 53 -11.047 0.801 -2.727 1.00 0.00 C ATOM 780 CG ARG A 53 -11.843 -0.499 -2.594 1.00 0.00 C ATOM 781 CD ARG A 53 -10.891 -1.645 -2.246 1.00 0.00 C ATOM 782 NE ARG A 53 -11.679 -2.859 -1.890 1.00 0.00 N ATOM 783 CZ ARG A 53 -12.675 -3.238 -2.645 1.00 0.00 C ATOM 784 NH1 ARG A 53 -12.558 -3.211 -3.944 1.00 0.00 N ATOM 785 NH2 ARG A 53 -13.787 -3.648 -2.099 1.00 0.00 N ATOM 0 H ARG A 53 -12.353 2.286 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.609 1.583 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.785 0.975 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.112 0.726 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.603 -0.395 -1.820 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.365 -0.716 -3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.238 -1.858 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.250 -1.358 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.440 -3.395 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.688 -2.894 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.337 -3.507 -4.532 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.878 -3.672 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.565 -3.944 -2.688 1.00 0.00 H new ATOM 799 N LEU A 54 -10.368 3.844 -2.293 1.00 0.00 N ATOM 800 CA LEU A 54 -9.471 4.878 -1.717 1.00 0.00 C ATOM 801 C LEU A 54 -10.275 6.156 -1.464 1.00 0.00 C ATOM 802 O LEU A 54 -9.728 7.192 -1.147 1.00 0.00 O ATOM 803 CB LEU A 54 -8.351 5.169 -2.708 1.00 0.00 C ATOM 804 CG LEU A 54 -7.573 3.882 -2.981 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.597 4.108 -4.136 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.795 3.481 -1.726 1.00 0.00 C ATOM 0 H LEU A 54 -10.462 3.872 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.047 4.523 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.764 5.562 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.684 5.933 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.270 3.087 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.043 3.189 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.151 4.393 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.900 4.903 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.240 2.563 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.099 4.277 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.491 3.317 -0.903 1.00 0.00 H new ATOM 818 N ARG A 55 -11.571 6.087 -1.618 1.00 0.00 N ATOM 819 CA ARG A 55 -12.429 7.286 -1.400 1.00 0.00 C ATOM 820 C ARG A 55 -11.785 8.511 -2.051 1.00 0.00 C ATOM 821 O ARG A 55 -11.753 9.586 -1.484 1.00 0.00 O ATOM 822 CB ARG A 55 -12.618 7.530 0.101 1.00 0.00 C ATOM 823 CG ARG A 55 -11.281 7.897 0.748 1.00 0.00 C ATOM 824 CD ARG A 55 -11.523 8.363 2.185 1.00 0.00 C ATOM 825 NE ARG A 55 -11.671 9.845 2.209 1.00 0.00 N ATOM 826 CZ ARG A 55 -11.791 10.470 3.349 1.00 0.00 C ATOM 827 NH1 ARG A 55 -10.993 10.179 4.339 1.00 0.00 N ATOM 828 NH2 ARG A 55 -12.711 11.383 3.499 1.00 0.00 N ATOM 0 H ARG A 55 -12.075 5.243 -1.888 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.404 7.112 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.339 8.332 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.026 6.637 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.612 7.036 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.792 8.685 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.420 7.891 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.692 8.060 2.822 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.679 10.371 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.276 9.463 4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.086 10.667 5.230 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.337 11.609 2.726 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.805 11.871 4.390 1.00 0.00 H new ATOM 842 N GLU A 56 -11.283 8.359 -3.246 1.00 0.00 N ATOM 843 CA GLU A 56 -10.654 9.513 -3.949 1.00 0.00 C ATOM 844 C GLU A 56 -11.366 9.722 -5.288 1.00 0.00 C ATOM 845 O GLU A 56 -12.414 9.160 -5.535 1.00 0.00 O ATOM 846 CB GLU A 56 -9.173 9.218 -4.197 1.00 0.00 C ATOM 847 CG GLU A 56 -8.384 9.433 -2.904 1.00 0.00 C ATOM 848 CD GLU A 56 -6.894 9.558 -3.229 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.476 10.648 -3.586 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.197 8.563 -3.116 1.00 0.00 O ATOM 0 H GLU A 56 -11.281 7.482 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.741 10.411 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.049 8.192 -4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.789 9.869 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.733 10.333 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.549 8.599 -2.222 1.00 0.00 H new ATOM 857 N ASN A 57 -10.810 10.521 -6.157 1.00 0.00 N ATOM 858 CA ASN A 57 -11.466 10.751 -7.475 1.00 0.00 C ATOM 859 C ASN A 57 -10.420 11.196 -8.498 1.00 0.00 C ATOM 860 O ASN A 57 -10.039 10.447 -9.375 1.00 0.00 O ATOM 861 CB ASN A 57 -12.538 11.835 -7.331 1.00 0.00 C ATOM 862 CG ASN A 57 -13.798 11.230 -6.708 1.00 0.00 C ATOM 863 OD1 ASN A 57 -14.382 11.806 -5.813 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.246 10.085 -7.148 1.00 0.00 N ATOM 0 H ASN A 57 -9.934 11.023 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.931 9.825 -7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.166 12.648 -6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.771 12.262 -8.306 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.086 9.675 -6.740 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.756 9.601 -7.900 1.00 0.00 H new ATOM 871 N GLU A 58 -9.953 12.410 -8.394 1.00 0.00 N ATOM 872 CA GLU A 58 -8.931 12.897 -9.363 1.00 0.00 C ATOM 873 C GLU A 58 -7.675 12.030 -9.258 1.00 0.00 C ATOM 874 O GLU A 58 -6.780 12.307 -8.483 1.00 0.00 O ATOM 875 CB GLU A 58 -8.577 14.351 -9.040 1.00 0.00 C ATOM 876 CG GLU A 58 -8.047 14.442 -7.608 1.00 0.00 C ATOM 877 CD GLU A 58 -8.904 15.423 -6.806 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.589 16.602 -6.818 1.00 0.00 O ATOM 879 OE2 GLU A 58 -9.862 14.980 -6.194 1.00 0.00 O ATOM 0 H GLU A 58 -10.234 13.084 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.330 12.836 -10.376 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.827 14.718 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.457 14.984 -9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.067 13.458 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.008 14.772 -7.614 1.00 0.00 H new ATOM 886 N LEU A 59 -7.599 10.979 -10.029 1.00 0.00 N ATOM 887 CA LEU A 59 -6.398 10.097 -9.969 1.00 0.00 C ATOM 888 C LEU A 59 -6.504 9.007 -11.036 1.00 0.00 C ATOM 889 O LEU A 59 -7.581 8.560 -11.376 1.00 0.00 O ATOM 890 CB LEU A 59 -6.317 9.445 -8.588 1.00 0.00 C ATOM 891 CG LEU A 59 -7.578 8.614 -8.343 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.303 7.151 -8.692 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.979 8.720 -6.870 1.00 0.00 C ATOM 0 H LEU A 59 -8.315 10.693 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.503 10.693 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.433 8.811 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.217 10.210 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.387 8.990 -8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.202 6.560 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.017 7.075 -9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.494 6.774 -8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.877 8.128 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.169 8.345 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.177 9.763 -6.621 1.00 0.00 H new ATOM 905 N THR A 60 -5.391 8.570 -11.564 1.00 0.00 N ATOM 906 CA THR A 60 -5.427 7.505 -12.603 1.00 0.00 C ATOM 907 C THR A 60 -5.203 6.146 -11.936 1.00 0.00 C ATOM 908 O THR A 60 -5.049 6.054 -10.734 1.00 0.00 O ATOM 909 CB THR A 60 -4.324 7.757 -13.633 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.082 7.923 -12.964 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.649 9.021 -14.431 1.00 0.00 C ATOM 0 H THR A 60 -4.460 8.906 -11.319 1.00 0.00 H new ATOM 0 HA THR A 60 -6.395 7.513 -13.103 1.00 0.00 H new ATOM 0 HB THR A 60 -4.260 6.907 -14.313 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.453 7.235 -13.266 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.863 9.200 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.602 8.892 -14.944 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.714 9.872 -13.753 1.00 0.00 H new ATOM 919 N TYR A 61 -5.187 5.089 -12.700 1.00 0.00 N ATOM 920 CA TYR A 61 -4.977 3.744 -12.093 1.00 0.00 C ATOM 921 C TYR A 61 -4.701 2.713 -13.192 1.00 0.00 C ATOM 922 O TYR A 61 -5.495 2.525 -14.093 1.00 0.00 O ATOM 923 CB TYR A 61 -6.234 3.339 -11.317 1.00 0.00 C ATOM 924 CG TYR A 61 -7.339 2.980 -12.286 1.00 0.00 C ATOM 925 CD1 TYR A 61 -8.086 3.991 -12.905 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.616 1.635 -12.563 1.00 0.00 C ATOM 927 CE1 TYR A 61 -9.110 3.656 -13.801 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.639 1.301 -13.458 1.00 0.00 C ATOM 929 CZ TYR A 61 -9.386 2.311 -14.078 1.00 0.00 C ATOM 930 OH TYR A 61 -10.395 1.981 -14.959 1.00 0.00 O ATOM 0 H TYR A 61 -5.309 5.097 -13.713 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.123 3.782 -11.417 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.015 2.490 -10.669 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.554 4.157 -10.672 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.873 5.028 -12.692 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.040 0.856 -12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.686 4.435 -14.278 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.853 0.264 -13.671 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.177 1.136 -15.404 1.00 0.00 H new ATOM 940 N TYR A 62 -3.584 2.038 -13.124 1.00 0.00 N ATOM 941 CA TYR A 62 -3.268 1.015 -14.164 1.00 0.00 C ATOM 942 C TYR A 62 -2.849 -0.291 -13.482 1.00 0.00 C ATOM 943 O TYR A 62 -1.990 -0.306 -12.625 1.00 0.00 O ATOM 944 CB TYR A 62 -2.125 1.519 -15.048 1.00 0.00 C ATOM 945 CG TYR A 62 -1.612 0.387 -15.905 1.00 0.00 C ATOM 946 CD1 TYR A 62 -2.466 -0.239 -16.822 1.00 0.00 C ATOM 947 CD2 TYR A 62 -0.285 -0.039 -15.780 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.990 -1.290 -17.615 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.191 -1.091 -16.573 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.663 -1.717 -17.491 1.00 0.00 C ATOM 951 OH TYR A 62 -0.197 -2.753 -18.272 1.00 0.00 O ATOM 0 H TYR A 62 -2.879 2.150 -12.396 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.150 0.838 -14.779 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.473 2.337 -15.678 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.320 1.914 -14.429 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.491 0.089 -16.917 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.372 0.443 -15.072 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.648 -1.772 -18.323 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.215 -1.419 -16.477 1.00 0.00 H new ATOM 0 HH TYR A 62 0.745 -2.923 -18.062 1.00 0.00 H new ATOM 961 N CYS A 63 -3.451 -1.389 -13.852 1.00 0.00 N ATOM 962 CA CYS A 63 -3.083 -2.688 -13.216 1.00 0.00 C ATOM 963 C CYS A 63 -2.149 -3.472 -14.138 1.00 0.00 C ATOM 964 O CYS A 63 -2.218 -3.364 -15.346 1.00 0.00 O ATOM 965 CB CYS A 63 -4.347 -3.510 -12.963 1.00 0.00 C ATOM 966 SG CYS A 63 -5.018 -3.097 -11.335 1.00 0.00 S ATOM 0 H CYS A 63 -4.179 -1.444 -14.564 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.577 -2.491 -12.271 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.088 -3.305 -13.736 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.118 -4.574 -13.015 1.00 0.00 H new ATOM 971 N CYS A 64 -1.277 -4.270 -13.579 1.00 0.00 N ATOM 972 CA CYS A 64 -0.348 -5.065 -14.432 1.00 0.00 C ATOM 973 C CYS A 64 -0.042 -6.398 -13.746 1.00 0.00 C ATOM 974 O CYS A 64 -0.541 -6.684 -12.675 1.00 0.00 O ATOM 975 CB CYS A 64 0.951 -4.287 -14.652 1.00 0.00 C ATOM 976 SG CYS A 64 1.425 -3.443 -13.122 1.00 0.00 S ATOM 0 H CYS A 64 -1.169 -4.405 -12.574 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.817 -5.253 -15.398 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.744 -4.966 -14.965 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.819 -3.560 -15.454 1.00 0.00 H new ATOM 981 N LYS A 65 0.768 -7.220 -14.356 1.00 0.00 N ATOM 982 CA LYS A 65 1.095 -8.536 -13.737 1.00 0.00 C ATOM 983 C LYS A 65 2.608 -8.764 -13.770 1.00 0.00 C ATOM 984 O LYS A 65 3.076 -9.883 -13.691 1.00 0.00 O ATOM 985 CB LYS A 65 0.396 -9.652 -14.517 1.00 0.00 C ATOM 986 CG LYS A 65 -1.089 -9.318 -14.671 1.00 0.00 C ATOM 987 CD LYS A 65 -1.893 -10.614 -14.788 1.00 0.00 C ATOM 988 CE LYS A 65 -1.805 -11.143 -16.221 1.00 0.00 C ATOM 989 NZ LYS A 65 -2.691 -12.333 -16.366 1.00 0.00 N ATOM 0 H LYS A 65 1.216 -7.038 -15.254 1.00 0.00 H new ATOM 0 HA LYS A 65 0.753 -8.541 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.857 -9.767 -15.498 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.513 -10.602 -13.996 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.434 -8.740 -13.814 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.244 -8.700 -15.555 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.507 -11.358 -14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.934 -10.434 -14.519 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.103 -10.367 -16.926 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.776 -11.411 -16.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.632 -12.693 -17.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.387 -13.075 -15.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.673 -12.062 -16.156 1.00 0.00 H new ATOM 1003 N LYS A 66 3.378 -7.717 -13.884 1.00 0.00 N ATOM 1004 CA LYS A 66 4.859 -7.887 -13.918 1.00 0.00 C ATOM 1005 C LYS A 66 5.428 -7.670 -12.516 1.00 0.00 C ATOM 1006 O LYS A 66 5.066 -6.737 -11.826 1.00 0.00 O ATOM 1007 CB LYS A 66 5.470 -6.865 -14.878 1.00 0.00 C ATOM 1008 CG LYS A 66 6.196 -7.596 -16.007 1.00 0.00 C ATOM 1009 CD LYS A 66 7.363 -6.740 -16.501 1.00 0.00 C ATOM 1010 CE LYS A 66 8.095 -7.471 -17.628 1.00 0.00 C ATOM 1011 NZ LYS A 66 7.109 -8.220 -18.456 1.00 0.00 N ATOM 0 H LYS A 66 3.048 -6.754 -13.955 1.00 0.00 H new ATOM 0 HA LYS A 66 5.100 -8.894 -14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.690 -6.224 -15.288 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.165 -6.218 -14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.562 -8.560 -15.654 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.506 -7.798 -16.827 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.996 -5.777 -16.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.050 -6.536 -15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.638 -6.757 -18.247 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.833 -8.157 -17.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.553 -8.503 -19.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.796 -9.068 -17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.288 -7.612 -18.653 1.00 0.00 H new ATOM 1025 N ASP A 67 6.321 -8.521 -12.089 1.00 0.00 N ATOM 1026 CA ASP A 67 6.914 -8.357 -10.733 1.00 0.00 C ATOM 1027 C ASP A 67 7.418 -6.921 -10.574 1.00 0.00 C ATOM 1028 O ASP A 67 8.445 -6.550 -11.106 1.00 0.00 O ATOM 1029 CB ASP A 67 8.082 -9.332 -10.565 1.00 0.00 C ATOM 1030 CG ASP A 67 7.587 -10.764 -10.780 1.00 0.00 C ATOM 1031 OD1 ASP A 67 6.385 -10.969 -10.731 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.419 -11.631 -10.991 1.00 0.00 O ATOM 0 H ASP A 67 6.665 -9.321 -12.620 1.00 0.00 H new ATOM 0 HA ASP A 67 6.159 -8.565 -9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.871 -9.098 -11.280 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.514 -9.231 -9.569 1.00 0.00 H new ATOM 1037 N LEU A 68 6.697 -6.111 -9.845 1.00 0.00 N ATOM 1038 CA LEU A 68 7.122 -4.697 -9.647 1.00 0.00 C ATOM 1039 C LEU A 68 6.898 -3.901 -10.935 1.00 0.00 C ATOM 1040 O LEU A 68 7.826 -3.392 -11.530 1.00 0.00 O ATOM 1041 CB LEU A 68 8.603 -4.649 -9.266 1.00 0.00 C ATOM 1042 CG LEU A 68 8.883 -5.680 -8.172 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.393 -5.812 -7.971 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.235 -5.218 -6.864 1.00 0.00 C ATOM 0 H LEU A 68 5.829 -6.370 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 68 6.529 -4.257 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.221 -4.854 -10.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.867 -3.651 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 68 8.470 -6.645 -8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.593 -6.547 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.857 -6.136 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.806 -4.848 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.432 -5.951 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.652 -4.254 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.159 -5.120 -7.006 1.00 0.00 H new ATOM 1056 N CYS A 69 5.671 -3.782 -11.363 1.00 0.00 N ATOM 1057 CA CYS A 69 5.388 -3.005 -12.605 1.00 0.00 C ATOM 1058 C CYS A 69 4.770 -1.656 -12.226 1.00 0.00 C ATOM 1059 O CYS A 69 4.358 -0.890 -13.073 1.00 0.00 O ATOM 1060 CB CYS A 69 4.412 -3.783 -13.495 1.00 0.00 C ATOM 1061 SG CYS A 69 3.060 -4.446 -12.490 1.00 0.00 S ATOM 0 H CYS A 69 4.853 -4.188 -10.908 1.00 0.00 H new ATOM 0 HA CYS A 69 6.318 -2.844 -13.151 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.014 -3.130 -14.271 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.935 -4.596 -14.000 1.00 0.00 H new ATOM 1066 N ASN A 70 4.708 -1.361 -10.955 1.00 0.00 N ATOM 1067 CA ASN A 70 4.121 -0.064 -10.514 1.00 0.00 C ATOM 1068 C ASN A 70 5.208 0.781 -9.847 1.00 0.00 C ATOM 1069 O ASN A 70 5.018 1.323 -8.777 1.00 0.00 O ATOM 1070 CB ASN A 70 2.997 -0.333 -9.512 1.00 0.00 C ATOM 1071 CG ASN A 70 3.592 -0.886 -8.215 1.00 0.00 C ATOM 1072 OD1 ASN A 70 4.442 -1.754 -8.246 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.180 -0.418 -7.069 1.00 0.00 N ATOM 0 H ASN A 70 5.039 -1.964 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 70 3.721 0.471 -11.375 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.448 0.587 -9.310 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.285 -1.044 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.571 -0.781 -6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.467 0.311 -7.042 1.00 0.00 H new ATOM 1080 N PHE A 71 6.348 0.895 -10.472 1.00 0.00 N ATOM 1081 CA PHE A 71 7.450 1.702 -9.875 1.00 0.00 C ATOM 1082 C PHE A 71 7.447 3.102 -10.491 1.00 0.00 C ATOM 1083 O PHE A 71 8.479 3.643 -10.836 1.00 0.00 O ATOM 1084 CB PHE A 71 8.791 1.020 -10.155 1.00 0.00 C ATOM 1085 CG PHE A 71 8.999 0.900 -11.647 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.477 -0.198 -12.341 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.717 1.886 -12.334 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.672 -0.309 -13.724 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.911 1.775 -13.717 1.00 0.00 C ATOM 1090 CZ PHE A 71 9.388 0.678 -14.412 1.00 0.00 C ATOM 0 H PHE A 71 6.564 0.464 -11.371 1.00 0.00 H new ATOM 0 HA PHE A 71 7.302 1.780 -8.798 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.603 1.596 -9.710 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.811 0.032 -9.695 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.924 -0.959 -11.811 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.121 2.732 -11.798 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.270 -1.156 -14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.464 2.536 -14.247 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.537 0.593 -15.478 1.00 0.00 H new ATOM 1100 N ASN A 72 6.292 3.695 -10.630 1.00 0.00 N ATOM 1101 CA ASN A 72 6.220 5.060 -11.220 1.00 0.00 C ATOM 1102 C ASN A 72 6.837 5.048 -12.621 1.00 0.00 C ATOM 1103 O ASN A 72 7.841 5.683 -12.874 1.00 0.00 O ATOM 1104 CB ASN A 72 6.989 6.042 -10.334 1.00 0.00 C ATOM 1105 CG ASN A 72 6.022 7.083 -9.768 1.00 0.00 C ATOM 1106 OD1 ASN A 72 4.942 7.273 -10.293 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.365 7.770 -8.714 1.00 0.00 N ATOM 0 H ASN A 72 5.395 3.292 -10.360 1.00 0.00 H new ATOM 0 HA ASN A 72 5.177 5.369 -11.286 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.481 5.507 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.772 6.533 -10.912 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.727 8.467 -8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.271 7.610 -8.274 1.00 0.00 H new ATOM 1114 N GLU A 73 6.240 4.331 -13.534 1.00 0.00 N ATOM 1115 CA GLU A 73 6.788 4.278 -14.917 1.00 0.00 C ATOM 1116 C GLU A 73 5.929 3.343 -15.770 1.00 0.00 C ATOM 1117 O GLU A 73 6.434 2.529 -16.517 1.00 0.00 O ATOM 1118 CB GLU A 73 8.226 3.756 -14.878 1.00 0.00 C ATOM 1119 CG GLU A 73 9.136 4.715 -15.649 1.00 0.00 C ATOM 1120 CD GLU A 73 10.054 3.917 -16.577 1.00 0.00 C ATOM 1121 OE1 GLU A 73 9.926 2.705 -16.607 1.00 0.00 O ATOM 1122 OE2 GLU A 73 10.869 4.532 -17.242 1.00 0.00 O ATOM 0 H GLU A 73 5.396 3.780 -13.381 1.00 0.00 H new ATOM 0 HA GLU A 73 6.777 5.278 -15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.564 3.667 -13.846 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.275 2.759 -15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.535 5.415 -16.229 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.731 5.306 -14.953 1.00 0.00 H new ATOM 1129 N GLN A 74 4.633 3.450 -15.661 1.00 0.00 N ATOM 1130 CA GLN A 74 3.743 2.564 -16.463 1.00 0.00 C ATOM 1131 C GLN A 74 2.627 3.396 -17.099 1.00 0.00 C ATOM 1132 O GLN A 74 1.619 2.873 -17.528 1.00 0.00 O ATOM 1133 CB GLN A 74 3.127 1.500 -15.550 1.00 0.00 C ATOM 1134 CG GLN A 74 3.165 0.139 -16.249 1.00 0.00 C ATOM 1135 CD GLN A 74 4.616 -0.260 -16.537 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.867 -1.125 -17.353 1.00 0.00 O ATOM 1137 NE2 GLN A 74 5.589 0.333 -15.898 1.00 0.00 N ATOM 0 H GLN A 74 4.152 4.112 -15.052 1.00 0.00 H new ATOM 0 HA GLN A 74 4.326 2.080 -17.247 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.675 1.452 -14.609 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.098 1.766 -15.307 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.689 -0.615 -15.622 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.599 0.183 -17.180 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.381 1.059 -15.213 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.557 0.070 -16.084 1.00 0.00 H new ATOM 1146 N LEU A 75 2.798 4.689 -17.164 1.00 0.00 N ATOM 1147 CA LEU A 75 1.744 5.549 -17.773 1.00 0.00 C ATOM 1148 C LEU A 75 2.376 6.464 -18.824 1.00 0.00 C ATOM 1149 O LEU A 75 2.236 6.251 -20.013 1.00 0.00 O ATOM 1150 CB LEU A 75 1.089 6.403 -16.685 1.00 0.00 C ATOM 1151 CG LEU A 75 -0.423 6.176 -16.699 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.725 4.716 -16.357 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -1.082 7.089 -15.663 1.00 0.00 C ATOM 0 H LEU A 75 3.621 5.186 -16.822 1.00 0.00 H new ATOM 0 HA LEU A 75 0.990 4.918 -18.244 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.497 6.143 -15.709 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.311 7.457 -16.853 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.816 6.404 -17.690 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.803 4.555 -16.367 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.254 4.065 -17.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.333 4.486 -15.366 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.160 6.929 -15.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.688 6.859 -14.673 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.868 8.130 -15.906 1.00 0.00 H new ATOM 1165 N GLU A 76 3.069 7.484 -18.397 1.00 0.00 N ATOM 1166 CA GLU A 76 3.708 8.413 -19.370 1.00 0.00 C ATOM 1167 C GLU A 76 4.743 7.650 -20.201 1.00 0.00 C ATOM 1168 O GLU A 76 5.732 7.168 -19.686 1.00 0.00 O ATOM 1169 CB GLU A 76 4.400 9.548 -18.612 1.00 0.00 C ATOM 1170 CG GLU A 76 3.522 10.801 -18.653 1.00 0.00 C ATOM 1171 CD GLU A 76 3.477 11.438 -17.262 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.228 11.000 -16.407 1.00 0.00 O ATOM 1173 OE2 GLU A 76 2.691 12.353 -17.077 1.00 0.00 O ATOM 0 H GLU A 76 3.220 7.714 -17.415 1.00 0.00 H new ATOM 0 HA GLU A 76 2.946 8.828 -20.030 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.581 9.252 -17.579 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.372 9.758 -19.058 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.918 11.512 -19.378 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.515 10.542 -18.979 1.00 0.00 H new ATOM 1180 N ASN A 77 4.523 7.535 -21.482 1.00 0.00 N ATOM 1181 CA ASN A 77 5.497 6.802 -22.339 1.00 0.00 C ATOM 1182 C ASN A 77 6.031 7.743 -23.424 1.00 0.00 C ATOM 1183 O ASN A 77 5.243 8.503 -23.962 1.00 0.00 O ATOM 1184 CB ASN A 77 4.802 5.600 -22.990 1.00 0.00 C ATOM 1185 CG ASN A 77 3.923 6.071 -24.152 1.00 0.00 C ATOM 1186 OD1 ASN A 77 3.019 6.861 -23.964 1.00 0.00 O ATOM 1187 ND2 ASN A 77 4.153 5.615 -25.352 1.00 0.00 N ATOM 1188 OXT ASN A 77 7.218 7.685 -23.699 1.00 0.00 O ATOM 0 H ASN A 77 3.713 7.916 -21.971 1.00 0.00 H new ATOM 0 HA ASN A 77 6.328 6.449 -21.728 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.546 4.890 -23.351 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.194 5.077 -22.252 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.574 5.921 -26.134 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.912 4.952 -25.509 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 8.000 -12.656 -2.435 1.00 0.00 C HETATM 1197 C2 NAG A 78 9.361 -12.036 -2.150 1.00 0.00 C HETATM 1198 C3 NAG A 78 10.438 -12.929 -2.741 1.00 0.00 C HETATM 1199 C4 NAG A 78 10.315 -14.303 -2.106 1.00 0.00 C HETATM 1200 C5 NAG A 78 8.924 -14.859 -2.397 1.00 0.00 C HETATM 1201 C6 NAG A 78 8.693 -16.227 -1.787 1.00 0.00 C HETATM 1202 C7 NAG A 78 9.527 -9.663 -1.950 1.00 0.00 C HETATM 1203 C8 NAG A 78 9.600 -8.298 -2.615 1.00 0.00 C HETATM 1204 N2 NAG A 78 9.435 -10.707 -2.727 1.00 0.00 N HETATM 1205 O3 NAG A 78 11.722 -12.378 -2.485 1.00 0.00 O HETATM 1206 O4 NAG A 78 11.322 -15.184 -2.639 1.00 0.00 O HETATM 1207 O5 NAG A 78 7.917 -13.971 -1.862 1.00 0.00 O HETATM 1208 O6 NAG A 78 9.694 -16.539 -0.829 1.00 0.00 O HETATM 1209 O7 NAG A 78 9.553 -9.779 -0.740 1.00 0.00 O HETATM 0 HO6 NAG A 78 9.316 -17.125 -0.140 1.00 0.00 H new HETATM 0 HO3 NAG A 78 12.412 -12.989 -2.818 1.00 0.00 H new HETATM 0 HN2 NAG A 78 9.415 -10.589 -3.740 1.00 0.00 H new HETATM 0 H83 NAG A 78 10.477 -8.254 -3.261 1.00 0.00 H new HETATM 0 H82 NAG A 78 8.702 -8.135 -3.211 1.00 0.00 H new HETATM 0 H81 NAG A 78 9.673 -7.524 -1.851 1.00 0.00 H new HETATM 0 H62 NAG A 78 7.712 -16.256 -1.314 1.00 0.00 H new HETATM 0 H61 NAG A 78 8.690 -16.982 -2.573 1.00 0.00 H new HETATM 0 H5 NAG A 78 8.854 -14.945 -3.481 1.00 0.00 H new HETATM 0 H4 NAG A 78 10.460 -14.225 -1.028 1.00 0.00 H new HETATM 0 H3 NAG A 78 10.314 -13.007 -3.821 1.00 0.00 H new HETATM 0 H2 NAG A 78 9.509 -11.949 -1.074 1.00 0.00 H new HETATM 1223 C1 NAG A 79 12.512 -15.243 -1.932 1.00 0.00 C HETATM 1224 C2 NAG A 79 13.198 -16.580 -2.180 1.00 0.00 C HETATM 1225 C3 NAG A 79 14.513 -16.599 -1.421 1.00 0.00 C HETATM 1226 C4 NAG A 79 15.364 -15.442 -1.914 1.00 0.00 C HETATM 1227 C5 NAG A 79 14.612 -14.137 -1.668 1.00 0.00 C HETATM 1228 C6 NAG A 79 15.374 -12.916 -2.140 1.00 0.00 C HETATM 1229 C7 NAG A 79 11.368 -18.082 -2.497 1.00 0.00 C HETATM 1230 C8 NAG A 79 10.515 -19.228 -1.976 1.00 0.00 C HETATM 1231 N2 NAG A 79 12.348 -17.670 -1.739 1.00 0.00 N HETATM 1232 O3 NAG A 79 15.183 -17.834 -1.636 1.00 0.00 O HETATM 1233 O4 NAG A 79 16.607 -15.428 -1.227 1.00 0.00 O HETATM 1234 O5 NAG A 79 13.346 -14.157 -2.367 1.00 0.00 O HETATM 1235 O6 NAG A 79 15.881 -13.101 -3.453 1.00 0.00 O HETATM 1236 O7 NAG A 79 11.146 -17.567 -3.575 1.00 0.00 O HETATM 0 HO6 NAG A 79 16.367 -12.297 -3.732 1.00 0.00 H new HETATM 0 HO4 NAG A 79 17.261 -14.912 -1.744 1.00 0.00 H new HETATM 0 HO3 NAG A 79 16.152 -17.688 -1.616 1.00 0.00 H new HETATM 0 HN2 NAG A 79 12.516 -18.115 -0.837 1.00 0.00 H new HETATM 0 H83 NAG A 79 11.143 -20.104 -1.814 1.00 0.00 H new HETATM 0 H82 NAG A 79 10.049 -18.936 -1.035 1.00 0.00 H new HETATM 0 H81 NAG A 79 9.741 -19.466 -2.705 1.00 0.00 H new HETATM 0 H62 NAG A 79 14.719 -12.045 -2.120 1.00 0.00 H new HETATM 0 H61 NAG A 79 16.197 -12.711 -1.455 1.00 0.00 H new HETATM 0 H5 NAG A 79 14.476 -14.066 -0.589 1.00 0.00 H new HETATM 0 H4 NAG A 79 15.560 -15.555 -2.980 1.00 0.00 H new HETATM 0 H3 NAG A 79 14.331 -16.495 -0.351 1.00 0.00 H new HETATM 0 H2 NAG A 79 13.386 -16.706 -3.246 1.00 0.00 H new