USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 587 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 NoAdj-H: A 77 HIS HD1 : A 77 HIS ND1 : A 100 ZNZN :(H bumps) USER MOD Set 1.1: A 30 CYS SG : rot 139:sc= 0.234 USER MOD Set 1.2: A 70 HIS :FLIP no HD1:sc= 0.149 F(o=-1.4,f=0.38) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0531 X(o=-0.053,f=-0.053) USER MOD Single : A 58 LYS NZ :NH3+ 133:sc= 1.23 (180deg=0.225) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0261) USER MOD Single : A 61 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.11) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0.46 (180deg=0.46) USER MOD Single : A 67 SER OG : rot 98:sc= 1.23 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= -0.0218 (180deg=-0.742) USER MOD Single : A 79 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.53) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 72:sc= 1.26 USER MOD Single : A 86 ASN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= 1.32 (180deg=-0.284) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 0.658 (180deg=0.65) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 23 0.154 -3.910 -7.465 1.00 0.00 N ATOM 2 CA GLY A 23 1.036 -2.838 -6.960 1.00 0.00 C ATOM 3 C GLY A 23 0.192 -1.697 -6.432 1.00 0.00 C ATOM 4 O GLY A 23 -0.997 -1.674 -6.725 1.00 0.00 O ATOM 0 HA2 GLY A 23 1.680 -3.224 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.688 -2.483 -7.758 1.00 0.00 H new ATOM 8 N SER A 24 0.791 -0.791 -5.661 1.00 0.00 N ATOM 9 CA SER A 24 0.152 0.333 -4.951 1.00 0.00 C ATOM 10 C SER A 24 -0.391 1.463 -5.851 1.00 0.00 C ATOM 11 O SER A 24 -0.012 2.621 -5.692 1.00 0.00 O ATOM 12 CB SER A 24 1.152 0.896 -3.927 1.00 0.00 C ATOM 13 OG SER A 24 1.754 -0.164 -3.200 1.00 0.00 O ATOM 0 H SER A 24 1.798 -0.817 -5.501 1.00 0.00 H new ATOM 0 HA SER A 24 -0.736 -0.075 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.919 1.478 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.641 1.573 -3.242 1.00 0.00 H new ATOM 0 HG SER A 24 2.390 0.204 -2.552 1.00 0.00 H new ATOM 19 N TYR A 25 -1.232 1.143 -6.836 1.00 0.00 N ATOM 20 CA TYR A 25 -1.860 2.132 -7.716 1.00 0.00 C ATOM 21 C TYR A 25 -3.063 2.820 -7.053 1.00 0.00 C ATOM 22 O TYR A 25 -3.901 2.169 -6.434 1.00 0.00 O ATOM 23 CB TYR A 25 -2.300 1.454 -9.022 1.00 0.00 C ATOM 24 CG TYR A 25 -1.156 1.001 -9.912 1.00 0.00 C ATOM 25 CD1 TYR A 25 -0.234 1.950 -10.397 1.00 0.00 C ATOM 26 CD2 TYR A 25 -1.039 -0.351 -10.295 1.00 0.00 C ATOM 27 CE1 TYR A 25 0.802 1.551 -11.260 1.00 0.00 C ATOM 28 CE2 TYR A 25 -0.010 -0.751 -11.172 1.00 0.00 C ATOM 29 CZ TYR A 25 0.912 0.205 -11.658 1.00 0.00 C ATOM 30 OH TYR A 25 1.898 -0.160 -12.516 1.00 0.00 O ATOM 0 H TYR A 25 -1.499 0.182 -7.048 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.120 2.904 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.918 0.590 -8.778 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.928 2.147 -9.583 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.323 2.986 -10.105 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.739 -1.081 -9.916 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.515 2.279 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.074 -1.785 -11.472 1.00 0.00 H new ATOM 0 HH TYR A 25 1.839 -1.122 -12.691 1.00 0.00 H new ATOM 40 N GLY A 26 -3.161 4.135 -7.239 1.00 0.00 N ATOM 41 CA GLY A 26 -4.195 5.023 -6.743 1.00 0.00 C ATOM 42 C GLY A 26 -3.679 6.458 -6.873 1.00 0.00 C ATOM 43 O GLY A 26 -2.483 6.686 -7.061 1.00 0.00 O ATOM 0 H GLY A 26 -2.462 4.640 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.115 4.894 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.429 4.794 -5.703 1.00 0.00 H new ATOM 47 N GLN A 27 -4.584 7.424 -6.797 1.00 0.00 N ATOM 48 CA GLN A 27 -4.271 8.859 -6.777 1.00 0.00 C ATOM 49 C GLN A 27 -5.205 9.603 -5.819 1.00 0.00 C ATOM 50 O GLN A 27 -6.390 9.286 -5.693 1.00 0.00 O ATOM 51 CB GLN A 27 -4.361 9.494 -8.177 1.00 0.00 C ATOM 52 CG GLN A 27 -3.351 8.971 -9.209 1.00 0.00 C ATOM 53 CD GLN A 27 -1.873 9.133 -8.829 1.00 0.00 C ATOM 54 OE1 GLN A 27 -1.463 9.881 -7.944 1.00 0.00 O ATOM 55 NE2 GLN A 27 -0.992 8.421 -9.496 1.00 0.00 N ATOM 0 H GLN A 27 -5.585 7.233 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.242 8.951 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.367 9.333 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.227 10.571 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.550 7.913 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.524 9.486 -10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.301 7.791 -10.236 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.000 8.499 -9.273 1.00 0.00 H new ATOM 64 N SER A 28 -4.659 10.625 -5.174 1.00 0.00 N ATOM 65 CA SER A 28 -5.304 11.423 -4.132 1.00 0.00 C ATOM 66 C SER A 28 -4.770 12.854 -4.138 1.00 0.00 C ATOM 67 O SER A 28 -3.672 13.117 -4.653 1.00 0.00 O ATOM 68 CB SER A 28 -5.056 10.789 -2.757 1.00 0.00 C ATOM 69 OG SER A 28 -3.674 10.555 -2.534 1.00 0.00 O ATOM 0 H SER A 28 -3.708 10.938 -5.370 1.00 0.00 H new ATOM 0 HA SER A 28 -6.375 11.448 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.446 11.444 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.602 9.848 -2.685 1.00 0.00 H new ATOM 0 HG SER A 28 -3.549 10.152 -1.649 1.00 0.00 H new ATOM 75 N CYS A 29 -5.572 13.767 -3.581 1.00 0.00 N ATOM 76 CA CYS A 29 -5.265 15.184 -3.466 1.00 0.00 C ATOM 77 C CYS A 29 -3.914 15.454 -2.764 1.00 0.00 C ATOM 78 O CYS A 29 -3.373 14.649 -1.992 1.00 0.00 O ATOM 79 CB CYS A 29 -6.457 15.876 -2.775 1.00 0.00 C ATOM 80 SG CYS A 29 -6.548 17.651 -3.192 1.00 0.00 S ATOM 0 H CYS A 29 -6.481 13.525 -3.187 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.131 15.608 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.384 15.385 -3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.367 15.761 -1.695 1.00 0.00 H new ATOM 85 N CYS A 30 -3.346 16.619 -3.049 1.00 0.00 N ATOM 86 CA CYS A 30 -2.073 17.077 -2.488 1.00 0.00 C ATOM 87 C CYS A 30 -2.140 18.489 -1.901 1.00 0.00 C ATOM 88 O CYS A 30 -1.130 19.004 -1.414 1.00 0.00 O ATOM 89 CB CYS A 30 -0.986 16.945 -3.559 1.00 0.00 C ATOM 90 SG CYS A 30 0.578 16.569 -2.724 1.00 0.00 S ATOM 0 H CYS A 30 -3.765 17.291 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.826 16.440 -1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.241 16.155 -4.265 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.900 17.869 -4.131 1.00 0.00 H new ATOM 0 HG CYS A 30 1.227 15.671 -3.403 1.00 0.00 H new ATOM 96 N LEU A 31 -3.328 19.094 -1.962 1.00 0.00 N ATOM 97 CA LEU A 31 -3.606 20.379 -1.351 1.00 0.00 C ATOM 98 C LEU A 31 -3.789 20.215 0.165 1.00 0.00 C ATOM 99 O LEU A 31 -4.105 19.142 0.689 1.00 0.00 O ATOM 100 CB LEU A 31 -4.857 21.005 -2.011 1.00 0.00 C ATOM 101 CG LEU A 31 -4.626 21.430 -3.475 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.950 21.695 -4.186 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.807 22.709 -3.595 1.00 0.00 C ATOM 0 H LEU A 31 -4.131 18.692 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.764 21.052 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.677 20.287 -1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.168 21.875 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.086 20.600 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.756 21.993 -5.216 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.555 20.788 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.486 22.493 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.676 22.960 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.327 23.523 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.831 22.561 -3.133 1.00 0.00 H new ATOM 115 N ILE A 32 -3.619 21.329 0.850 1.00 0.00 N ATOM 116 CA ILE A 32 -3.843 21.522 2.273 1.00 0.00 C ATOM 117 C ILE A 32 -4.735 22.753 2.357 1.00 0.00 C ATOM 118 O ILE A 32 -4.514 23.708 1.609 1.00 0.00 O ATOM 119 CB ILE A 32 -2.488 21.719 2.992 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.746 20.364 3.050 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.655 22.338 4.392 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.400 20.403 3.783 1.00 0.00 C ATOM 0 H ILE A 32 -3.298 22.184 0.396 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.315 20.669 2.761 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.891 22.431 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.390 19.633 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.580 20.012 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.676 22.457 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.135 23.312 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.272 21.684 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.048 19.409 3.774 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.266 21.106 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.556 20.721 4.814 1.00 0.00 H new ATOM 134 N GLU A 33 -5.726 22.753 3.245 1.00 0.00 N ATOM 135 CA GLU A 33 -6.558 23.939 3.464 1.00 0.00 C ATOM 136 C GLU A 33 -6.801 24.172 4.954 1.00 0.00 C ATOM 137 O GLU A 33 -7.203 23.276 5.689 1.00 0.00 O ATOM 138 CB GLU A 33 -7.841 23.871 2.618 1.00 0.00 C ATOM 139 CG GLU A 33 -8.334 25.296 2.337 1.00 0.00 C ATOM 140 CD GLU A 33 -9.455 25.420 1.290 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.899 24.390 0.725 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.817 26.587 1.029 1.00 0.00 O ATOM 0 H GLU A 33 -5.974 21.950 3.823 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.022 24.822 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.646 23.349 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.609 23.305 3.145 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.686 25.730 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.486 25.896 2.007 1.00 0.00 H new ATOM 149 N ASP A 34 -6.459 25.382 5.405 1.00 0.00 N ATOM 150 CA ASP A 34 -6.436 25.830 6.815 1.00 0.00 C ATOM 151 C ASP A 34 -5.515 24.987 7.738 1.00 0.00 C ATOM 152 O ASP A 34 -5.386 25.262 8.930 1.00 0.00 O ATOM 153 CB ASP A 34 -7.872 26.005 7.370 1.00 0.00 C ATOM 154 CG ASP A 34 -8.184 27.435 7.829 1.00 0.00 C ATOM 155 OD1 ASP A 34 -7.283 28.181 8.283 1.00 0.00 O ATOM 156 OD2 ASP A 34 -9.327 27.909 7.629 1.00 0.00 O ATOM 0 H ASP A 34 -6.173 26.123 4.765 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.967 26.814 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.588 25.715 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.013 25.324 8.209 1.00 0.00 H new ATOM 161 N GLY A 35 -4.848 23.974 7.175 1.00 0.00 N ATOM 162 CA GLY A 35 -3.967 23.008 7.831 1.00 0.00 C ATOM 163 C GLY A 35 -4.450 21.559 7.700 1.00 0.00 C ATOM 164 O GLY A 35 -3.657 20.643 7.900 1.00 0.00 O ATOM 0 H GLY A 35 -4.917 23.797 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.967 23.090 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.884 23.262 8.888 1.00 0.00 H new ATOM 168 N GLU A 36 -5.725 21.345 7.356 1.00 0.00 N ATOM 169 CA GLU A 36 -6.268 20.014 7.077 1.00 0.00 C ATOM 170 C GLU A 36 -5.630 19.463 5.798 1.00 0.00 C ATOM 171 O GLU A 36 -5.488 20.180 4.797 1.00 0.00 O ATOM 172 CB GLU A 36 -7.800 20.095 6.927 1.00 0.00 C ATOM 173 CG GLU A 36 -8.486 18.761 6.557 1.00 0.00 C ATOM 174 CD GLU A 36 -8.250 17.642 7.588 1.00 0.00 C ATOM 175 OE1 GLU A 36 -7.086 17.187 7.702 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.236 17.227 8.238 1.00 0.00 O ATOM 0 H GLU A 36 -6.411 22.094 7.263 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.038 19.343 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.224 20.458 7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.038 20.834 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.558 18.929 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.120 18.431 5.585 1.00 0.00 H new ATOM 183 N ARG A 37 -5.279 18.173 5.794 1.00 0.00 N ATOM 184 CA ARG A 37 -4.726 17.502 4.621 1.00 0.00 C ATOM 185 C ARG A 37 -5.838 16.867 3.798 1.00 0.00 C ATOM 186 O ARG A 37 -6.367 15.812 4.140 1.00 0.00 O ATOM 187 CB ARG A 37 -3.653 16.486 5.032 1.00 0.00 C ATOM 188 CG ARG A 37 -3.119 15.670 3.843 1.00 0.00 C ATOM 189 CD ARG A 37 -2.741 16.529 2.624 1.00 0.00 C ATOM 190 NE ARG A 37 -2.233 15.722 1.506 1.00 0.00 N ATOM 191 CZ ARG A 37 -0.970 15.393 1.327 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.068 15.561 2.246 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.548 14.889 0.210 1.00 0.00 N ATOM 0 H ARG A 37 -5.372 17.566 6.608 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.237 18.242 3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.825 17.011 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.069 15.806 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.243 15.106 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.874 14.943 3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.614 17.092 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.984 17.257 2.916 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.909 15.392 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.327 15.961 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.899 15.293 2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.200 14.738 -0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.436 14.644 0.101 1.00 0.00 H new ATOM 207 N CYS A 38 -6.146 17.494 2.669 1.00 0.00 N ATOM 208 CA CYS A 38 -7.085 16.952 1.706 1.00 0.00 C ATOM 209 C CYS A 38 -6.581 15.588 1.182 1.00 0.00 C ATOM 210 O CYS A 38 -5.443 15.437 0.724 1.00 0.00 O ATOM 211 CB CYS A 38 -7.277 18.006 0.619 1.00 0.00 C ATOM 212 SG CYS A 38 -8.846 17.726 -0.255 1.00 0.00 S ATOM 0 H CYS A 38 -5.749 18.394 2.399 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.058 16.743 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.272 19.002 1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.447 17.967 -0.087 1.00 0.00 H new ATOM 217 N VAL A 39 -7.458 14.588 1.282 1.00 0.00 N ATOM 218 CA VAL A 39 -7.204 13.170 0.947 1.00 0.00 C ATOM 219 C VAL A 39 -8.266 12.586 0.010 1.00 0.00 C ATOM 220 O VAL A 39 -8.303 11.379 -0.225 1.00 0.00 O ATOM 221 CB VAL A 39 -7.051 12.294 2.213 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.722 12.560 2.919 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.196 12.469 3.220 1.00 0.00 C ATOM 0 H VAL A 39 -8.410 14.743 1.613 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.255 13.156 0.411 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.081 11.266 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.647 11.928 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.899 12.334 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.671 13.608 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.024 11.825 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.238 13.508 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.140 12.198 2.748 1.00 0.00 H new ATOM 233 N ARG A 40 -9.145 13.429 -0.540 1.00 0.00 N ATOM 234 CA ARG A 40 -10.143 13.027 -1.542 1.00 0.00 C ATOM 235 C ARG A 40 -9.471 12.431 -2.802 1.00 0.00 C ATOM 236 O ARG A 40 -8.346 12.828 -3.132 1.00 0.00 O ATOM 237 CB ARG A 40 -11.012 14.243 -1.894 1.00 0.00 C ATOM 238 CG ARG A 40 -12.043 14.593 -0.818 1.00 0.00 C ATOM 239 CD ARG A 40 -12.840 15.831 -1.256 1.00 0.00 C ATOM 240 NE ARG A 40 -13.873 16.197 -0.268 1.00 0.00 N ATOM 241 CZ ARG A 40 -13.696 16.912 0.831 1.00 0.00 C ATOM 242 NH1 ARG A 40 -12.540 17.404 1.190 1.00 0.00 N ATOM 243 NH2 ARG A 40 -14.711 17.169 1.601 1.00 0.00 N ATOM 0 H ARG A 40 -9.186 14.420 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.774 12.242 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.366 15.105 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.531 14.048 -2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.717 13.751 -0.658 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.543 14.786 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.159 16.670 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.311 15.637 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.820 15.865 -0.451 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.716 17.243 0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.462 17.949 2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.638 16.820 1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.581 17.720 2.450 1.00 0.00 H new ATOM 257 N PRO A 41 -10.136 11.490 -3.504 1.00 0.00 N ATOM 258 CA PRO A 41 -9.575 10.810 -4.671 1.00 0.00 C ATOM 259 C PRO A 41 -9.329 11.794 -5.819 1.00 0.00 C ATOM 260 O PRO A 41 -10.206 12.582 -6.174 1.00 0.00 O ATOM 261 CB PRO A 41 -10.593 9.727 -5.049 1.00 0.00 C ATOM 262 CG PRO A 41 -11.916 10.274 -4.515 1.00 0.00 C ATOM 263 CD PRO A 41 -11.492 11.019 -3.252 1.00 0.00 C ATOM 0 HA PRO A 41 -8.602 10.370 -4.454 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.630 9.571 -6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.344 8.767 -4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.398 10.938 -5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.624 9.475 -4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.163 11.853 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.523 10.363 -2.382 1.00 0.00 H new ATOM 271 N ALA A 42 -8.136 11.741 -6.409 1.00 0.00 N ATOM 272 CA ALA A 42 -7.760 12.642 -7.493 1.00 0.00 C ATOM 273 C ALA A 42 -8.182 12.070 -8.854 1.00 0.00 C ATOM 274 O ALA A 42 -7.460 11.274 -9.456 1.00 0.00 O ATOM 275 CB ALA A 42 -6.269 12.953 -7.417 1.00 0.00 C ATOM 0 H ALA A 42 -7.408 11.076 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.294 13.585 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.996 13.626 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.045 13.427 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.699 12.028 -7.505 1.00 0.00 H new ATOM 281 N GLY A 43 -9.364 12.469 -9.328 1.00 0.00 N ATOM 282 CA GLY A 43 -9.949 12.000 -10.583 1.00 0.00 C ATOM 283 C GLY A 43 -10.092 13.134 -11.597 1.00 0.00 C ATOM 284 O GLY A 43 -10.845 14.082 -11.373 1.00 0.00 O ATOM 0 H GLY A 43 -9.953 13.142 -8.838 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.325 11.212 -11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.927 11.561 -10.387 1.00 0.00 H new ATOM 288 N ASN A 44 -9.376 13.020 -12.722 1.00 0.00 N ATOM 289 CA ASN A 44 -9.359 14.010 -13.810 1.00 0.00 C ATOM 290 C ASN A 44 -9.078 15.455 -13.328 1.00 0.00 C ATOM 291 O ASN A 44 -9.751 16.407 -13.733 1.00 0.00 O ATOM 292 CB ASN A 44 -10.649 13.844 -14.639 1.00 0.00 C ATOM 293 CG ASN A 44 -10.585 14.524 -15.996 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.535 14.829 -16.531 1.00 0.00 O ATOM 295 ND2 ASN A 44 -11.718 14.737 -16.625 1.00 0.00 N ATOM 0 H ASN A 44 -8.776 12.216 -12.907 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.509 13.816 -14.464 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.846 12.782 -14.782 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.489 14.251 -14.076 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.714 15.155 -17.555 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.602 14.484 -16.183 1.00 0.00 H new ATOM 302 N ALA A 45 -8.119 15.612 -12.408 1.00 0.00 N ATOM 303 CA ALA A 45 -7.694 16.909 -11.882 1.00 0.00 C ATOM 304 C ALA A 45 -6.220 16.908 -11.421 1.00 0.00 C ATOM 305 O ALA A 45 -5.759 16.008 -10.717 1.00 0.00 O ATOM 306 CB ALA A 45 -8.628 17.308 -10.733 1.00 0.00 C ATOM 0 H ALA A 45 -7.610 14.826 -12.003 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.758 17.642 -12.686 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.320 18.274 -10.333 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.651 17.378 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.577 16.556 -9.945 1.00 0.00 H new ATOM 312 N SER A 46 -5.485 17.963 -11.791 1.00 0.00 N ATOM 313 CA SER A 46 -4.066 18.162 -11.458 1.00 0.00 C ATOM 314 C SER A 46 -3.716 19.650 -11.351 1.00 0.00 C ATOM 315 O SER A 46 -4.318 20.498 -12.008 1.00 0.00 O ATOM 316 CB SER A 46 -3.135 17.495 -12.488 1.00 0.00 C ATOM 317 OG SER A 46 -3.619 17.642 -13.812 1.00 0.00 O ATOM 0 H SER A 46 -5.871 18.726 -12.347 1.00 0.00 H new ATOM 0 HA SER A 46 -3.911 17.689 -10.488 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.140 17.933 -12.415 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.035 16.435 -12.254 1.00 0.00 H new ATOM 0 HG SER A 46 -3.001 17.208 -14.436 1.00 0.00 H new ATOM 323 N PHE A 47 -2.712 19.956 -10.532 1.00 0.00 N ATOM 324 CA PHE A 47 -2.253 21.297 -10.163 1.00 0.00 C ATOM 325 C PHE A 47 -1.134 21.802 -11.094 1.00 0.00 C ATOM 326 O PHE A 47 0.054 21.772 -10.764 1.00 0.00 O ATOM 327 CB PHE A 47 -1.832 21.266 -8.687 1.00 0.00 C ATOM 328 CG PHE A 47 -1.693 22.621 -8.043 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.831 23.235 -7.496 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.431 23.228 -7.907 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.706 24.439 -6.793 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.308 24.443 -7.213 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.448 25.051 -6.656 1.00 0.00 C ATOM 0 H PHE A 47 -2.160 19.228 -10.078 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.064 22.015 -10.287 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.565 20.686 -8.126 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.880 20.741 -8.606 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.802 22.779 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.443 22.760 -8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.579 24.899 -6.354 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.660 24.910 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.357 25.986 -6.124 1.00 0.00 H new ATOM 343 N SER A 48 -1.494 22.245 -12.302 1.00 0.00 N ATOM 344 CA SER A 48 -0.508 22.845 -13.216 1.00 0.00 C ATOM 345 C SER A 48 -0.049 24.217 -12.712 1.00 0.00 C ATOM 346 O SER A 48 -0.802 24.953 -12.071 1.00 0.00 O ATOM 347 CB SER A 48 -1.014 22.952 -14.660 1.00 0.00 C ATOM 348 OG SER A 48 -1.916 24.028 -14.847 1.00 0.00 O ATOM 0 H SER A 48 -2.445 22.203 -12.669 1.00 0.00 H new ATOM 0 HA SER A 48 0.344 22.166 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.163 23.076 -15.330 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.505 22.020 -14.938 1.00 0.00 H new ATOM 0 HG SER A 48 -2.206 24.053 -15.783 1.00 0.00 H new ATOM 354 N LYS A 49 1.170 24.621 -13.081 1.00 0.00 N ATOM 355 CA LYS A 49 1.752 25.928 -12.724 1.00 0.00 C ATOM 356 C LYS A 49 0.871 27.134 -13.094 1.00 0.00 C ATOM 357 O LYS A 49 1.020 28.199 -12.505 1.00 0.00 O ATOM 358 CB LYS A 49 3.142 26.037 -13.371 1.00 0.00 C ATOM 359 CG LYS A 49 4.171 24.996 -12.875 1.00 0.00 C ATOM 360 CD LYS A 49 4.545 25.094 -11.383 1.00 0.00 C ATOM 361 CE LYS A 49 5.330 26.368 -11.027 1.00 0.00 C ATOM 362 NZ LYS A 49 6.747 26.299 -11.467 1.00 0.00 N ATOM 0 H LYS A 49 1.794 24.044 -13.645 1.00 0.00 H new ATOM 0 HA LYS A 49 1.828 25.966 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.034 25.934 -14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.537 27.035 -13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.775 23.999 -13.068 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.080 25.098 -13.467 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.634 25.060 -10.786 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.139 24.223 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.850 27.230 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.294 26.525 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.235 27.179 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.215 25.493 -11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.784 26.176 -12.499 1.00 0.00 H new ATOM 376 N ARG A 50 -0.068 26.998 -14.044 1.00 0.00 N ATOM 377 CA ARG A 50 -1.030 28.064 -14.387 1.00 0.00 C ATOM 378 C ARG A 50 -2.052 28.327 -13.269 1.00 0.00 C ATOM 379 O ARG A 50 -2.473 29.473 -13.099 1.00 0.00 O ATOM 380 CB ARG A 50 -1.738 27.713 -15.713 1.00 0.00 C ATOM 381 CG ARG A 50 -2.129 28.955 -16.534 1.00 0.00 C ATOM 382 CD ARG A 50 -0.899 29.573 -17.217 1.00 0.00 C ATOM 383 NE ARG A 50 -1.231 30.790 -17.992 1.00 0.00 N ATOM 384 CZ ARG A 50 -0.859 32.033 -17.739 1.00 0.00 C ATOM 385 NH1 ARG A 50 -0.279 32.372 -16.618 1.00 0.00 N ATOM 386 NH2 ARG A 50 -1.054 32.971 -18.626 1.00 0.00 N ATOM 0 H ARG A 50 -0.184 26.148 -14.597 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.468 28.991 -14.507 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.083 27.080 -16.312 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.634 27.130 -15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.868 28.680 -17.287 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.597 29.693 -15.883 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.154 29.820 -16.461 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.447 28.836 -17.881 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.815 30.653 -18.817 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.099 31.667 -15.903 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.006 33.342 -16.458 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.495 32.746 -19.518 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.766 33.929 -18.427 1.00 0.00 H new ATOM 400 N VAL A 51 -2.415 27.293 -12.508 1.00 0.00 N ATOM 401 CA VAL A 51 -3.413 27.320 -11.427 1.00 0.00 C ATOM 402 C VAL A 51 -2.950 28.200 -10.257 1.00 0.00 C ATOM 403 O VAL A 51 -3.737 29.006 -9.757 1.00 0.00 O ATOM 404 CB VAL A 51 -3.756 25.876 -10.977 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.863 25.870 -9.922 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.266 25.036 -12.159 1.00 0.00 C ATOM 0 H VAL A 51 -2.004 26.368 -12.631 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.327 27.774 -11.810 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.836 25.456 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.080 24.843 -9.628 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.537 26.436 -9.049 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.762 26.326 -10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.499 24.028 -11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.164 25.496 -12.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.497 24.988 -12.930 1.00 0.00 H new ATOM 416 N GLN A 52 -1.655 28.152 -9.905 1.00 0.00 N ATOM 417 CA GLN A 52 -1.037 29.013 -8.880 1.00 0.00 C ATOM 418 C GLN A 52 -1.345 30.511 -9.074 1.00 0.00 C ATOM 419 O GLN A 52 -1.605 31.219 -8.101 1.00 0.00 O ATOM 420 CB GLN A 52 0.491 28.805 -8.849 1.00 0.00 C ATOM 421 CG GLN A 52 0.934 27.433 -8.323 1.00 0.00 C ATOM 422 CD GLN A 52 2.448 27.360 -8.116 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.223 27.104 -9.027 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.933 27.594 -6.916 1.00 0.00 N ATOM 0 H GLN A 52 -0.995 27.502 -10.332 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.478 28.713 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.884 28.938 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.938 29.581 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.429 27.226 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.626 26.659 -9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.302 27.809 -6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.940 27.560 -6.757 1.00 0.00 H new ATOM 433 N LYS A 53 -1.379 31.010 -10.322 1.00 0.00 N ATOM 434 CA LYS A 53 -1.718 32.419 -10.624 1.00 0.00 C ATOM 435 C LYS A 53 -3.152 32.774 -10.224 1.00 0.00 C ATOM 436 O LYS A 53 -3.408 33.901 -9.810 1.00 0.00 O ATOM 437 CB LYS A 53 -1.459 32.708 -12.118 1.00 0.00 C ATOM 438 CG LYS A 53 -0.965 34.139 -12.432 1.00 0.00 C ATOM 439 CD LYS A 53 -2.024 35.254 -12.499 1.00 0.00 C ATOM 440 CE LYS A 53 -3.005 35.073 -13.664 1.00 0.00 C ATOM 441 NZ LYS A 53 -4.072 36.106 -13.645 1.00 0.00 N ATOM 0 H LYS A 53 -1.173 30.452 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.071 33.057 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.721 31.996 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.380 32.528 -12.672 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.231 34.416 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.442 34.113 -13.388 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.580 35.277 -11.562 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.524 36.218 -12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.463 35.126 -14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.456 34.082 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.717 35.953 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.604 36.039 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.643 37.050 -13.721 1.00 0.00 H new ATOM 455 N SER A 54 -4.091 31.834 -10.354 1.00 0.00 N ATOM 456 CA SER A 54 -5.485 32.047 -9.954 1.00 0.00 C ATOM 457 C SER A 54 -5.596 32.217 -8.436 1.00 0.00 C ATOM 458 O SER A 54 -6.135 33.211 -7.953 1.00 0.00 O ATOM 459 CB SER A 54 -6.386 30.905 -10.445 1.00 0.00 C ATOM 460 OG SER A 54 -7.638 31.450 -10.819 1.00 0.00 O ATOM 0 H SER A 54 -3.908 30.907 -10.738 1.00 0.00 H new ATOM 0 HA SER A 54 -5.830 32.967 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.926 30.397 -11.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.516 30.161 -9.659 1.00 0.00 H new ATOM 0 HG SER A 54 -8.225 30.733 -11.137 1.00 0.00 H new ATOM 466 N ILE A 55 -4.988 31.284 -7.697 1.00 0.00 N ATOM 467 CA ILE A 55 -4.949 31.244 -6.226 1.00 0.00 C ATOM 468 C ILE A 55 -4.216 32.471 -5.661 1.00 0.00 C ATOM 469 O ILE A 55 -4.717 33.127 -4.749 1.00 0.00 O ATOM 470 CB ILE A 55 -4.294 29.932 -5.741 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.013 28.713 -6.364 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.356 29.823 -4.210 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.389 27.376 -5.974 1.00 0.00 C ATOM 0 H ILE A 55 -4.488 30.503 -8.121 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.973 31.272 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.250 29.943 -6.055 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.059 28.721 -6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.000 28.809 -7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.889 28.891 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.827 30.665 -3.764 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.397 29.836 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.943 26.564 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.351 27.348 -6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.427 27.259 -4.891 1.00 0.00 H new ATOM 485 N SER A 56 -3.080 32.852 -6.258 1.00 0.00 N ATOM 486 CA SER A 56 -2.316 34.067 -5.932 1.00 0.00 C ATOM 487 C SER A 56 -3.205 35.317 -5.970 1.00 0.00 C ATOM 488 O SER A 56 -3.281 36.073 -5.001 1.00 0.00 O ATOM 489 CB SER A 56 -1.188 34.203 -6.957 1.00 0.00 C ATOM 490 OG SER A 56 -0.502 35.435 -6.846 1.00 0.00 O ATOM 0 H SER A 56 -2.652 32.307 -7.006 1.00 0.00 H new ATOM 0 HA SER A 56 -1.917 33.981 -4.921 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.481 33.384 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.601 34.110 -7.961 1.00 0.00 H new ATOM 0 HG SER A 56 0.209 35.475 -7.519 1.00 0.00 H new ATOM 496 N GLN A 57 -3.978 35.458 -7.052 1.00 0.00 N ATOM 497 CA GLN A 57 -4.969 36.519 -7.266 1.00 0.00 C ATOM 498 C GLN A 57 -6.260 36.361 -6.432 1.00 0.00 C ATOM 499 O GLN A 57 -7.251 37.056 -6.683 1.00 0.00 O ATOM 500 CB GLN A 57 -5.251 36.591 -8.779 1.00 0.00 C ATOM 501 CG GLN A 57 -4.018 37.061 -9.573 1.00 0.00 C ATOM 502 CD GLN A 57 -3.697 38.521 -9.298 1.00 0.00 C ATOM 503 OE1 GLN A 57 -4.496 39.391 -9.595 1.00 0.00 O ATOM 504 NE2 GLN A 57 -2.551 38.837 -8.737 1.00 0.00 N ATOM 0 H GLN A 57 -3.928 34.808 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.554 37.461 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.561 35.609 -9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.081 37.273 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.159 36.444 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.197 36.922 -10.639 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.885 38.105 -8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.328 39.814 -8.549 1.00 0.00 H new ATOM 513 N LYS A 58 -6.272 35.450 -5.450 1.00 0.00 N ATOM 514 CA LYS A 58 -7.359 35.216 -4.475 1.00 0.00 C ATOM 515 C LYS A 58 -6.875 35.174 -3.018 1.00 0.00 C ATOM 516 O LYS A 58 -7.693 35.356 -2.126 1.00 0.00 O ATOM 517 CB LYS A 58 -8.093 33.902 -4.809 1.00 0.00 C ATOM 518 CG LYS A 58 -8.825 33.921 -6.155 1.00 0.00 C ATOM 519 CD LYS A 58 -10.155 34.687 -6.085 1.00 0.00 C ATOM 520 CE LYS A 58 -10.495 35.274 -7.459 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.664 36.465 -7.740 1.00 0.00 N ATOM 0 H LYS A 58 -5.484 34.820 -5.302 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.036 36.066 -4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.371 33.085 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.813 33.689 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.184 34.379 -6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.015 32.897 -6.477 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.952 34.019 -5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.086 35.486 -5.346 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.334 34.522 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.550 35.545 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.272 36.396 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.249 37.322 -7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.886 36.516 -7.052 1.00 0.00 H new ATOM 535 N LYS A 59 -5.567 34.981 -2.793 1.00 0.00 N ATOM 536 CA LYS A 59 -4.897 34.815 -1.488 1.00 0.00 C ATOM 537 C LYS A 59 -5.558 33.771 -0.565 1.00 0.00 C ATOM 538 O LYS A 59 -5.598 33.937 0.650 1.00 0.00 O ATOM 539 CB LYS A 59 -4.661 36.194 -0.832 1.00 0.00 C ATOM 540 CG LYS A 59 -3.408 36.234 0.066 1.00 0.00 C ATOM 541 CD LYS A 59 -2.073 36.262 -0.708 1.00 0.00 C ATOM 542 CE LYS A 59 -1.808 37.579 -1.454 1.00 0.00 C ATOM 543 NZ LYS A 59 -1.564 38.703 -0.514 1.00 0.00 N ATOM 0 H LYS A 59 -4.903 34.933 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.917 34.375 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.565 36.949 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.535 36.460 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.462 37.115 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.417 35.363 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.256 36.082 -0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.064 35.442 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.945 37.459 -2.109 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.661 37.815 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.289 39.551 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.432 38.900 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.800 38.446 0.143 1.00 0.00 H new ATOM 557 N LEU A 60 -6.071 32.689 -1.163 1.00 0.00 N ATOM 558 CA LEU A 60 -6.636 31.525 -0.464 1.00 0.00 C ATOM 559 C LEU A 60 -5.586 30.805 0.401 1.00 0.00 C ATOM 560 O LEU A 60 -4.391 30.845 0.109 1.00 0.00 O ATOM 561 CB LEU A 60 -7.191 30.521 -1.492 1.00 0.00 C ATOM 562 CG LEU A 60 -8.382 30.997 -2.334 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.670 29.991 -3.451 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.635 31.187 -1.481 1.00 0.00 C ATOM 0 H LEU A 60 -6.106 32.595 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.428 31.893 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.383 30.243 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.487 29.616 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.116 31.962 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.517 30.337 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.793 29.898 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.905 29.020 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.457 31.525 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.903 30.240 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.440 31.932 -0.710 1.00 0.00 H new ATOM 576 N LYS A 61 -6.072 30.079 1.415 1.00 0.00 N ATOM 577 CA LYS A 61 -5.293 29.273 2.373 1.00 0.00 C ATOM 578 C LYS A 61 -4.851 27.898 1.821 1.00 0.00 C ATOM 579 O LYS A 61 -4.832 26.920 2.567 1.00 0.00 O ATOM 580 CB LYS A 61 -6.136 29.065 3.644 1.00 0.00 C ATOM 581 CG LYS A 61 -6.694 30.336 4.304 1.00 0.00 C ATOM 582 CD LYS A 61 -7.352 29.889 5.612 1.00 0.00 C ATOM 583 CE LYS A 61 -8.029 31.009 6.401 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.570 30.448 7.659 1.00 0.00 N ATOM 0 H LYS A 61 -7.074 30.033 1.603 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.378 29.827 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.973 28.412 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.526 28.538 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.898 31.056 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.418 30.826 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.093 29.122 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.595 29.424 6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.314 31.802 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.830 31.455 5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.063 31.195 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.238 29.682 7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.790 30.072 8.235 1.00 0.00 H new ATOM 598 N LEU A 62 -4.575 27.809 0.518 1.00 0.00 N ATOM 599 CA LEU A 62 -4.252 26.551 -0.162 1.00 0.00 C ATOM 600 C LEU A 62 -2.732 26.373 -0.273 1.00 0.00 C ATOM 601 O LEU A 62 -2.082 27.140 -0.981 1.00 0.00 O ATOM 602 CB LEU A 62 -4.946 26.511 -1.540 1.00 0.00 C ATOM 603 CG LEU A 62 -6.464 26.316 -1.484 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.013 26.556 -2.891 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.850 24.898 -1.072 1.00 0.00 C ATOM 0 H LEU A 62 -4.569 28.618 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.627 25.713 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.732 27.441 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.511 25.703 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.871 27.008 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.095 26.425 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.772 27.571 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.564 25.844 -3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.936 24.809 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.445 24.187 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.445 24.684 -0.083 1.00 0.00 H new ATOM 617 N ASP A 63 -2.184 25.342 0.384 1.00 0.00 N ATOM 618 CA ASP A 63 -0.754 24.965 0.321 1.00 0.00 C ATOM 619 C ASP A 63 -0.536 23.598 -0.361 1.00 0.00 C ATOM 620 O ASP A 63 -1.481 22.842 -0.597 1.00 0.00 O ATOM 621 CB ASP A 63 -0.096 25.019 1.719 1.00 0.00 C ATOM 622 CG ASP A 63 1.425 24.742 1.683 1.00 0.00 C ATOM 623 OD1 ASP A 63 2.111 25.272 0.777 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.900 23.904 2.475 1.00 0.00 O ATOM 0 H ASP A 63 -2.730 24.729 0.990 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.258 25.706 -0.306 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.270 26.001 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.577 24.289 2.369 1.00 0.00 H new ATOM 629 N ILE A 64 0.726 23.277 -0.677 1.00 0.00 N ATOM 630 CA ILE A 64 1.150 22.091 -1.423 1.00 0.00 C ATOM 631 C ILE A 64 2.147 21.239 -0.632 1.00 0.00 C ATOM 632 O ILE A 64 3.310 21.621 -0.405 1.00 0.00 O ATOM 633 CB ILE A 64 1.765 22.487 -2.790 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.870 23.417 -3.638 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.123 21.224 -3.599 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.415 22.753 -4.144 1.00 0.00 C ATOM 0 H ILE A 64 1.513 23.866 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 64 0.256 21.491 -1.593 1.00 0.00 H new ATOM 0 HB ILE A 64 2.664 23.058 -2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.605 24.291 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.443 23.775 -4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.554 21.515 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.846 20.628 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.222 20.634 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.989 23.471 -4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.160 21.896 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.011 22.420 -3.295 1.00 0.00 H new ATOM 648 N ASP A 65 1.693 20.030 -0.288 1.00 0.00 N ATOM 649 CA ASP A 65 2.538 19.005 0.315 1.00 0.00 C ATOM 650 C ASP A 65 3.645 18.597 -0.667 1.00 0.00 C ATOM 651 O ASP A 65 3.403 17.990 -1.712 1.00 0.00 O ATOM 652 CB ASP A 65 1.712 17.782 0.724 1.00 0.00 C ATOM 653 CG ASP A 65 2.613 16.577 1.018 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.700 16.766 1.608 1.00 0.00 O ATOM 655 OD2 ASP A 65 2.211 15.439 0.674 1.00 0.00 O ATOM 0 H ASP A 65 0.725 19.738 -0.422 1.00 0.00 H new ATOM 0 HA ASP A 65 2.993 19.419 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.119 18.020 1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.012 17.530 -0.072 1.00 0.00 H new ATOM 660 N LYS A 66 4.892 18.909 -0.310 1.00 0.00 N ATOM 661 CA LYS A 66 6.064 18.562 -1.120 1.00 0.00 C ATOM 662 C LYS A 66 6.587 17.148 -0.842 1.00 0.00 C ATOM 663 O LYS A 66 7.385 16.667 -1.637 1.00 0.00 O ATOM 664 CB LYS A 66 7.127 19.666 -0.962 1.00 0.00 C ATOM 665 CG LYS A 66 6.673 20.921 -1.739 1.00 0.00 C ATOM 666 CD LYS A 66 7.462 22.193 -1.407 1.00 0.00 C ATOM 667 CE LYS A 66 7.178 22.749 0.002 1.00 0.00 C ATOM 668 NZ LYS A 66 5.760 23.187 0.208 1.00 0.00 N ATOM 0 H LYS A 66 5.119 19.410 0.549 1.00 0.00 H new ATOM 0 HA LYS A 66 5.773 18.523 -2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.265 19.906 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.089 19.318 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.760 20.723 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.618 21.099 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.528 21.983 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.225 22.960 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.422 21.985 0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.840 23.595 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.645 23.548 1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.527 23.939 -0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.122 22.378 0.062 1.00 0.00 H new ATOM 682 N SER A 67 6.121 16.454 0.198 1.00 0.00 N ATOM 683 CA SER A 67 6.571 15.102 0.578 1.00 0.00 C ATOM 684 C SER A 67 6.312 14.073 -0.524 1.00 0.00 C ATOM 685 O SER A 67 7.227 13.361 -0.927 1.00 0.00 O ATOM 686 CB SER A 67 5.876 14.624 1.865 1.00 0.00 C ATOM 687 OG SER A 67 5.748 15.677 2.797 1.00 0.00 O ATOM 0 H SER A 67 5.401 16.822 0.820 1.00 0.00 H new ATOM 0 HA SER A 67 7.646 15.179 0.742 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.890 14.227 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.448 13.809 2.309 1.00 0.00 H new ATOM 0 HG SER A 67 4.846 16.055 2.741 1.00 0.00 H new ATOM 693 N VAL A 68 5.089 14.039 -1.070 1.00 0.00 N ATOM 694 CA VAL A 68 4.691 13.089 -2.136 1.00 0.00 C ATOM 695 C VAL A 68 5.117 13.571 -3.539 1.00 0.00 C ATOM 696 O VAL A 68 4.971 12.844 -4.518 1.00 0.00 O ATOM 697 CB VAL A 68 3.179 12.754 -2.028 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.712 11.628 -2.964 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.841 12.267 -0.608 1.00 0.00 C ATOM 0 H VAL A 68 4.339 14.670 -0.788 1.00 0.00 H new ATOM 0 HA VAL A 68 5.234 12.156 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 68 2.677 13.683 -2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.644 11.458 -2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.902 11.913 -3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.258 10.713 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.778 12.036 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.421 11.372 -0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.085 13.048 0.112 1.00 0.00 H new ATOM 709 N ARG A 69 5.676 14.788 -3.661 1.00 0.00 N ATOM 710 CA ARG A 69 6.245 15.392 -4.892 1.00 0.00 C ATOM 711 C ARG A 69 5.337 15.381 -6.144 1.00 0.00 C ATOM 712 O ARG A 69 5.820 15.673 -7.236 1.00 0.00 O ATOM 713 CB ARG A 69 7.618 14.738 -5.199 1.00 0.00 C ATOM 714 CG ARG A 69 8.657 14.780 -4.062 1.00 0.00 C ATOM 715 CD ARG A 69 9.262 16.172 -3.832 1.00 0.00 C ATOM 716 NE ARG A 69 10.345 16.489 -4.785 1.00 0.00 N ATOM 717 CZ ARG A 69 11.630 16.225 -4.625 1.00 0.00 C ATOM 718 NH1 ARG A 69 12.086 15.565 -3.595 1.00 0.00 N ATOM 719 NH2 ARG A 69 12.496 16.628 -5.510 1.00 0.00 N ATOM 0 H ARG A 69 5.750 15.417 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 69 6.353 16.453 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.449 13.696 -5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.045 15.230 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.187 14.441 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.459 14.077 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.477 16.923 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.650 16.231 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 69 10.075 16.957 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.443 15.233 -2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.086 15.382 -3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.183 17.149 -6.329 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.487 16.423 -5.384 1.00 0.00 H new ATOM 733 N HIS A 70 4.033 15.104 -6.014 1.00 0.00 N ATOM 734 CA HIS A 70 3.081 14.950 -7.133 1.00 0.00 C ATOM 735 C HIS A 70 2.101 16.131 -7.238 1.00 0.00 C ATOM 736 O HIS A 70 1.833 16.799 -6.245 1.00 0.00 O ATOM 737 CB HIS A 70 2.387 13.564 -7.061 1.00 0.00 C ATOM 738 CG HIS A 70 1.279 13.356 -6.036 1.00 0.00 C ATOM 739 ND1 HIS A 70 1.010 14.138 -4.946 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.325 12.340 -6.052 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 -0.126 13.633 -4.339 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.535 12.552 -5.031 1.00 0.00 N flip ATOM 0 H HIS A 70 3.594 14.976 -5.102 1.00 0.00 H new ATOM 0 HA HIS A 70 3.640 14.977 -8.068 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.971 13.350 -8.046 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.158 12.817 -6.871 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.281 11.524 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.604 14.037 -3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.357 11.987 -4.820 1.00 0.00 H new ATOM 751 N LEU A 71 1.524 16.351 -8.421 1.00 0.00 N ATOM 752 CA LEU A 71 0.652 17.495 -8.723 1.00 0.00 C ATOM 753 C LEU A 71 -0.807 17.072 -8.948 1.00 0.00 C ATOM 754 O LEU A 71 -1.464 17.574 -9.854 1.00 0.00 O ATOM 755 CB LEU A 71 1.205 18.280 -9.931 1.00 0.00 C ATOM 756 CG LEU A 71 2.663 18.765 -9.813 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.046 19.531 -11.081 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.877 19.694 -8.616 1.00 0.00 C ATOM 0 H LEU A 71 1.651 15.726 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 71 0.650 18.151 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.124 17.650 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.567 19.148 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 71 3.284 17.880 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.077 19.875 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.949 18.875 -11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.385 20.389 -11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.921 20.006 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.239 20.572 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.624 19.167 -7.696 1.00 0.00 H new ATOM 770 N TYR A 72 -1.315 16.130 -8.158 1.00 0.00 N ATOM 771 CA TYR A 72 -2.719 15.716 -8.232 1.00 0.00 C ATOM 772 C TYR A 72 -3.574 16.431 -7.179 1.00 0.00 C ATOM 773 O TYR A 72 -3.080 16.780 -6.106 1.00 0.00 O ATOM 774 CB TYR A 72 -2.800 14.191 -8.121 1.00 0.00 C ATOM 775 CG TYR A 72 -2.355 13.479 -9.387 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.044 13.700 -10.596 1.00 0.00 C ATOM 777 CD2 TYR A 72 -1.259 12.598 -9.367 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.628 13.061 -11.777 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.859 11.927 -10.538 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.542 12.162 -11.750 1.00 0.00 C ATOM 781 OH TYR A 72 -1.155 11.520 -12.881 1.00 0.00 O ATOM 0 H TYR A 72 -0.772 15.633 -7.452 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.133 16.010 -9.196 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.181 13.860 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.826 13.903 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.896 14.364 -10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.720 12.435 -8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.141 13.259 -12.707 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.031 11.234 -10.509 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.391 10.939 -12.682 1.00 0.00 H new ATOM 791 N ILE A 73 -4.853 16.637 -7.510 1.00 0.00 N ATOM 792 CA ILE A 73 -5.881 17.256 -6.653 1.00 0.00 C ATOM 793 C ILE A 73 -7.211 16.509 -6.808 1.00 0.00 C ATOM 794 O ILE A 73 -7.430 15.850 -7.824 1.00 0.00 O ATOM 795 CB ILE A 73 -6.071 18.770 -6.942 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.782 19.063 -8.281 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.730 19.512 -6.867 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.007 20.550 -8.598 1.00 0.00 C ATOM 0 H ILE A 73 -5.221 16.366 -8.422 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.534 17.175 -5.623 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.733 19.143 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.196 18.622 -9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.749 18.560 -8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.888 20.571 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.305 19.396 -5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.043 19.097 -7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.513 20.645 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.622 20.999 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.046 21.062 -8.642 1.00 0.00 H new ATOM 810 N CYS A 74 -8.118 16.637 -5.842 1.00 0.00 N ATOM 811 CA CYS A 74 -9.468 16.084 -5.937 1.00 0.00 C ATOM 812 C CYS A 74 -10.444 16.886 -6.826 1.00 0.00 C ATOM 813 O CYS A 74 -10.225 18.054 -7.168 1.00 0.00 O ATOM 814 CB CYS A 74 -10.003 15.899 -4.525 1.00 0.00 C ATOM 815 SG CYS A 74 -10.237 17.490 -3.708 1.00 0.00 S ATOM 0 H CYS A 74 -7.937 17.129 -4.967 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.394 15.126 -6.452 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.950 15.361 -4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.310 15.288 -3.947 1.00 0.00 H new ATOM 820 N ASP A 75 -11.570 16.258 -7.180 1.00 0.00 N ATOM 821 CA ASP A 75 -12.638 16.890 -7.957 1.00 0.00 C ATOM 822 C ASP A 75 -13.251 18.112 -7.238 1.00 0.00 C ATOM 823 O ASP A 75 -13.585 19.106 -7.893 1.00 0.00 O ATOM 824 CB ASP A 75 -13.721 15.853 -8.320 1.00 0.00 C ATOM 825 CG ASP A 75 -14.770 15.714 -7.214 1.00 0.00 C ATOM 826 OD1 ASP A 75 -14.364 15.376 -6.078 1.00 0.00 O ATOM 827 OD2 ASP A 75 -15.927 16.089 -7.497 1.00 0.00 O ATOM 0 H ASP A 75 -11.766 15.288 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.191 17.268 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.209 16.148 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.252 14.886 -8.499 1.00 0.00 H new ATOM 832 N PHE A 76 -13.346 18.032 -5.909 1.00 0.00 N ATOM 833 CA PHE A 76 -13.866 19.038 -4.994 1.00 0.00 C ATOM 834 C PHE A 76 -12.983 20.291 -5.032 1.00 0.00 C ATOM 835 O PHE A 76 -13.458 21.391 -5.327 1.00 0.00 O ATOM 836 CB PHE A 76 -13.916 18.396 -3.595 1.00 0.00 C ATOM 837 CG PHE A 76 -14.902 19.017 -2.628 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.562 20.168 -1.894 1.00 0.00 C ATOM 839 CD2 PHE A 76 -16.163 18.418 -2.445 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.478 20.714 -0.977 1.00 0.00 C ATOM 841 CE2 PHE A 76 -17.079 18.963 -1.529 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.735 20.109 -0.790 1.00 0.00 C ATOM 0 H PHE A 76 -13.037 17.197 -5.412 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.868 19.361 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.160 17.340 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.920 18.448 -3.155 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.597 20.633 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -16.427 17.537 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.217 21.599 -0.416 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -18.046 18.502 -1.393 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.435 20.524 -0.080 1.00 0.00 H new ATOM 852 N HIS A 77 -11.669 20.128 -4.821 1.00 0.00 N ATOM 853 CA HIS A 77 -10.712 21.237 -4.943 1.00 0.00 C ATOM 854 C HIS A 77 -10.613 21.777 -6.368 1.00 0.00 C ATOM 855 O HIS A 77 -10.489 22.991 -6.529 1.00 0.00 O ATOM 856 CB HIS A 77 -9.325 20.865 -4.400 1.00 0.00 C ATOM 857 CG HIS A 77 -9.164 21.219 -2.929 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.730 20.366 -1.899 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.450 22.440 -2.389 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.812 21.101 -0.769 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.240 22.346 -1.035 1.00 0.00 N ATOM 0 H HIS A 77 -11.244 19.237 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.108 22.041 -4.323 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.160 19.796 -4.534 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.560 21.381 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.780 23.317 -2.927 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.566 20.736 0.217 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.384 23.090 -0.352 1.00 0.00 H new ATOM 869 N LYS A 78 -10.742 20.925 -7.397 1.00 0.00 N ATOM 870 CA LYS A 78 -10.806 21.383 -8.797 1.00 0.00 C ATOM 871 C LYS A 78 -11.948 22.391 -8.966 1.00 0.00 C ATOM 872 O LYS A 78 -11.748 23.440 -9.581 1.00 0.00 O ATOM 873 CB LYS A 78 -10.984 20.176 -9.734 1.00 0.00 C ATOM 874 CG LYS A 78 -11.162 20.532 -11.223 1.00 0.00 C ATOM 875 CD LYS A 78 -11.759 19.397 -12.076 1.00 0.00 C ATOM 876 CE LYS A 78 -13.286 19.218 -11.946 1.00 0.00 C ATOM 877 NZ LYS A 78 -13.711 18.395 -10.779 1.00 0.00 N ATOM 0 H LYS A 78 -10.804 19.913 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.873 21.882 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.116 19.524 -9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.852 19.604 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.806 21.408 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.193 20.811 -11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.518 19.584 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.274 18.461 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.750 20.201 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.665 18.757 -12.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.699 18.096 -10.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.102 17.555 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.629 18.958 -9.909 1.00 0.00 H new ATOM 891 N ASN A 79 -13.141 22.093 -8.433 1.00 0.00 N ATOM 892 CA ASN A 79 -14.263 23.033 -8.529 1.00 0.00 C ATOM 893 C ASN A 79 -14.095 24.262 -7.622 1.00 0.00 C ATOM 894 O ASN A 79 -14.576 25.331 -7.991 1.00 0.00 O ATOM 895 CB ASN A 79 -15.615 22.335 -8.288 1.00 0.00 C ATOM 896 CG ASN A 79 -16.769 23.143 -8.883 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.702 23.614 -10.006 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.862 23.320 -8.179 1.00 0.00 N ATOM 0 H ASN A 79 -13.351 21.225 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.259 23.404 -9.554 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.598 21.340 -8.732 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.774 22.204 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.642 23.846 -8.572 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.931 22.931 -7.238 1.00 0.00 H new ATOM 905 N PHE A 80 -13.396 24.170 -6.485 1.00 0.00 N ATOM 906 CA PHE A 80 -13.123 25.335 -5.634 1.00 0.00 C ATOM 907 C PHE A 80 -12.301 26.402 -6.371 1.00 0.00 C ATOM 908 O PHE A 80 -12.727 27.552 -6.483 1.00 0.00 O ATOM 909 CB PHE A 80 -12.414 24.885 -4.348 1.00 0.00 C ATOM 910 CG PHE A 80 -12.218 25.987 -3.320 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.342 26.691 -2.839 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.937 26.283 -2.803 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.196 27.681 -1.851 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.801 27.264 -1.807 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.923 27.959 -1.329 1.00 0.00 C ATOM 0 H PHE A 80 -13.007 23.296 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.076 25.795 -5.373 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.990 24.079 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.440 24.472 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.323 26.468 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.068 25.758 -3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.059 28.225 -1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.823 27.486 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.807 28.708 -0.559 1.00 0.00 H new ATOM 925 N ILE A 81 -11.165 26.013 -6.959 1.00 0.00 N ATOM 926 CA ILE A 81 -10.286 26.950 -7.677 1.00 0.00 C ATOM 927 C ILE A 81 -10.924 27.448 -8.987 1.00 0.00 C ATOM 928 O ILE A 81 -10.617 28.547 -9.443 1.00 0.00 O ATOM 929 CB ILE A 81 -8.898 26.323 -7.916 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.240 25.889 -6.581 1.00 0.00 C ATOM 931 CG2 ILE A 81 -7.997 27.336 -8.658 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.120 24.861 -6.773 1.00 0.00 C ATOM 0 H ILE A 81 -10.829 25.050 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.150 27.828 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.020 25.430 -8.528 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.837 26.768 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.003 25.469 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.015 26.894 -8.828 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.450 27.592 -9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.890 28.237 -8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.699 24.597 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.524 23.967 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.340 25.287 -7.404 1.00 0.00 H new ATOM 944 N GLN A 82 -11.822 26.676 -9.604 1.00 0.00 N ATOM 945 CA GLN A 82 -12.566 27.124 -10.790 1.00 0.00 C ATOM 946 C GLN A 82 -13.746 28.039 -10.443 1.00 0.00 C ATOM 947 O GLN A 82 -14.062 28.951 -11.204 1.00 0.00 O ATOM 948 CB GLN A 82 -13.064 25.900 -11.558 1.00 0.00 C ATOM 949 CG GLN A 82 -11.934 25.312 -12.422 1.00 0.00 C ATOM 950 CD GLN A 82 -11.789 26.059 -13.752 1.00 0.00 C ATOM 951 OE1 GLN A 82 -11.054 27.029 -13.899 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.510 25.648 -14.773 1.00 0.00 N ATOM 0 H GLN A 82 -12.055 25.730 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.884 27.712 -11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.425 25.146 -10.859 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.907 26.178 -12.191 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.994 25.361 -11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.135 24.259 -12.617 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.127 24.843 -14.670 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.451 26.135 -15.667 1.00 0.00 H new ATOM 961 N SER A 83 -14.373 27.870 -9.278 1.00 0.00 N ATOM 962 CA SER A 83 -15.468 28.731 -8.809 1.00 0.00 C ATOM 963 C SER A 83 -15.063 30.209 -8.661 1.00 0.00 C ATOM 964 O SER A 83 -15.931 31.084 -8.620 1.00 0.00 O ATOM 965 CB SER A 83 -16.025 28.188 -7.493 1.00 0.00 C ATOM 966 OG SER A 83 -16.693 26.963 -7.728 1.00 0.00 O ATOM 0 H SER A 83 -14.135 27.124 -8.624 1.00 0.00 H new ATOM 0 HA SER A 83 -16.242 28.708 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.216 28.041 -6.778 1.00 0.00 H new ATOM 0 HB3 SER A 83 -16.713 28.910 -7.052 1.00 0.00 H new ATOM 0 HG SER A 83 -16.035 26.265 -7.928 1.00 0.00 H new ATOM 972 N VAL A 84 -13.759 30.516 -8.659 1.00 0.00 N ATOM 973 CA VAL A 84 -13.218 31.888 -8.649 1.00 0.00 C ATOM 974 C VAL A 84 -13.513 32.667 -9.943 1.00 0.00 C ATOM 975 O VAL A 84 -13.289 33.879 -9.987 1.00 0.00 O ATOM 976 CB VAL A 84 -11.704 31.892 -8.362 1.00 0.00 C ATOM 977 CG1 VAL A 84 -11.323 30.971 -7.195 1.00 0.00 C ATOM 978 CG2 VAL A 84 -10.849 31.595 -9.601 1.00 0.00 C ATOM 0 H VAL A 84 -13.031 29.802 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 84 -13.736 32.403 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.477 32.915 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.245 31.012 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.836 31.298 -6.291 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.617 29.948 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.794 31.613 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.105 30.611 -9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -11.040 32.350 -10.364 1.00 0.00 H new ATOM 988 N ARG A 85 -13.972 31.976 -11.001 1.00 0.00 N ATOM 989 CA ARG A 85 -14.418 32.565 -12.275 1.00 0.00 C ATOM 990 C ARG A 85 -15.710 33.373 -12.126 1.00 0.00 C ATOM 991 O ARG A 85 -15.919 34.306 -12.891 1.00 0.00 O ATOM 992 CB ARG A 85 -14.653 31.444 -13.311 1.00 0.00 C ATOM 993 CG ARG A 85 -13.399 30.653 -13.715 1.00 0.00 C ATOM 994 CD ARG A 85 -12.422 31.477 -14.545 1.00 0.00 C ATOM 995 NE ARG A 85 -11.235 30.674 -14.887 1.00 0.00 N ATOM 996 CZ ARG A 85 -10.195 31.102 -15.570 1.00 0.00 C ATOM 997 NH1 ARG A 85 -10.118 32.329 -16.007 1.00 0.00 N ATOM 998 NH2 ARG A 85 -9.196 30.307 -15.821 1.00 0.00 N ATOM 0 H ARG A 85 -14.045 30.959 -10.992 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.632 33.243 -12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -15.388 30.747 -12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.089 31.885 -14.207 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -12.895 30.297 -12.817 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -13.698 29.772 -14.283 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.910 31.822 -15.456 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.121 32.365 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.218 29.705 -14.568 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.877 32.985 -15.822 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.299 32.632 -16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.215 29.343 -15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.394 30.648 -16.351 1.00 0.00 H new ATOM 1012 N ASN A 86 -16.574 33.007 -11.176 1.00 0.00 N ATOM 1013 CA ASN A 86 -17.886 33.631 -11.008 1.00 0.00 C ATOM 1014 C ASN A 86 -17.806 35.091 -10.537 1.00 0.00 C ATOM 1015 O ASN A 86 -16.776 35.592 -10.079 1.00 0.00 O ATOM 1016 CB ASN A 86 -18.722 32.835 -9.989 1.00 0.00 C ATOM 1017 CG ASN A 86 -19.039 31.421 -10.437 1.00 0.00 C ATOM 1018 OD1 ASN A 86 -19.771 31.213 -11.382 1.00 0.00 O ATOM 1019 ND2 ASN A 86 -18.536 30.422 -9.757 1.00 0.00 N ATOM 0 H ASN A 86 -16.382 32.267 -10.500 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.354 33.623 -11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.184 32.795 -9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -19.655 33.366 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -18.759 29.462 -10.021 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.921 30.603 -8.964 1.00 0.00 H new ATOM 1026 N LYS A 87 -18.972 35.747 -10.554 1.00 0.00 N ATOM 1027 CA LYS A 87 -19.184 37.096 -10.028 1.00 0.00 C ATOM 1028 C LYS A 87 -18.523 37.306 -8.657 1.00 0.00 C ATOM 1029 O LYS A 87 -18.857 36.635 -7.672 1.00 0.00 O ATOM 1030 CB LYS A 87 -20.685 37.455 -10.075 1.00 0.00 C ATOM 1031 CG LYS A 87 -21.617 36.501 -9.300 1.00 0.00 C ATOM 1032 CD LYS A 87 -21.952 36.963 -7.871 1.00 0.00 C ATOM 1033 CE LYS A 87 -22.193 35.753 -6.959 1.00 0.00 C ATOM 1034 NZ LYS A 87 -20.906 35.193 -6.475 1.00 0.00 N ATOM 0 H LYS A 87 -19.820 35.338 -10.947 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.672 37.808 -10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -20.813 38.462 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -21.003 37.480 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -22.546 36.386 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -21.151 35.517 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -21.135 37.566 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -22.838 37.597 -7.886 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -22.808 36.049 -6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -22.747 34.987 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -20.842 34.190 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.116 35.717 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -20.857 35.280 -5.440 1.00 0.00 H new ATOM 1048 N ARG A 88 -17.569 38.241 -8.612 1.00 0.00 N ATOM 1049 CA ARG A 88 -16.862 38.698 -7.401 1.00 0.00 C ATOM 1050 C ARG A 88 -17.826 39.484 -6.491 1.00 0.00 C ATOM 1051 O ARG A 88 -18.840 39.980 -6.965 1.00 0.00 O ATOM 1052 CB ARG A 88 -15.648 39.538 -7.855 1.00 0.00 C ATOM 1053 CG ARG A 88 -14.414 39.378 -6.949 1.00 0.00 C ATOM 1054 CD ARG A 88 -13.174 40.115 -7.494 1.00 0.00 C ATOM 1055 NE ARG A 88 -12.741 39.621 -8.823 1.00 0.00 N ATOM 1056 CZ ARG A 88 -11.622 39.927 -9.459 1.00 0.00 C ATOM 1057 NH1 ARG A 88 -10.652 40.592 -8.893 1.00 0.00 N ATOM 1058 NH2 ARG A 88 -11.434 39.545 -10.689 1.00 0.00 N ATOM 0 H ARG A 88 -17.251 38.724 -9.452 1.00 0.00 H new ATOM 0 HA ARG A 88 -16.502 37.857 -6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.380 39.254 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.934 40.589 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.648 39.756 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.183 38.318 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.393 41.181 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.352 40.004 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.373 38.976 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.740 40.897 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.806 40.807 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -12.153 39.005 -11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.568 39.786 -11.171 1.00 0.00 H new ATOM 1072 N LYS A 89 -17.497 39.660 -5.205 1.00 0.00 N ATOM 1073 CA LYS A 89 -18.337 40.406 -4.233 1.00 0.00 C ATOM 1074 C LYS A 89 -17.551 41.502 -3.486 1.00 0.00 C ATOM 1075 O LYS A 89 -17.861 41.819 -2.347 1.00 0.00 O ATOM 1076 CB LYS A 89 -19.063 39.408 -3.298 1.00 0.00 C ATOM 1077 CG LYS A 89 -20.364 39.979 -2.690 1.00 0.00 C ATOM 1078 CD LYS A 89 -21.038 38.987 -1.726 1.00 0.00 C ATOM 1079 CE LYS A 89 -22.345 39.540 -1.132 1.00 0.00 C ATOM 1080 NZ LYS A 89 -22.114 40.641 -0.159 1.00 0.00 N ATOM 0 H LYS A 89 -16.638 39.291 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 89 -19.102 40.956 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -19.298 38.502 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.389 39.120 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.140 40.904 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.057 40.232 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -21.248 38.057 -2.254 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.348 38.746 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.981 39.902 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.885 38.732 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -23.027 40.976 0.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.530 40.292 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.623 41.426 -0.633 1.00 0.00 H new ATOM 1094 N ARG A 90 -16.503 42.056 -4.117 1.00 0.00 N ATOM 1095 CA ARG A 90 -15.611 43.076 -3.520 1.00 0.00 C ATOM 1096 C ARG A 90 -16.326 44.409 -3.240 1.00 0.00 C ATOM 1097 O ARG A 90 -16.185 44.949 -2.155 1.00 0.00 O ATOM 1098 CB ARG A 90 -14.377 43.283 -4.423 1.00 0.00 C ATOM 1099 CG ARG A 90 -13.297 44.169 -3.774 1.00 0.00 C ATOM 1100 CD ARG A 90 -12.134 44.429 -4.744 1.00 0.00 C ATOM 1101 NE ARG A 90 -11.027 45.156 -4.089 1.00 0.00 N ATOM 1102 CZ ARG A 90 -10.003 45.759 -4.676 1.00 0.00 C ATOM 1103 NH1 ARG A 90 -9.903 45.874 -5.972 1.00 0.00 N ATOM 1104 NH2 ARG A 90 -9.037 46.266 -3.970 1.00 0.00 N ATOM 0 H ARG A 90 -16.244 41.807 -5.072 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.289 42.700 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.945 42.312 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.693 43.735 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.737 45.118 -3.468 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.921 43.686 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.766 43.480 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.493 45.005 -5.597 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.054 45.199 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.631 45.492 -6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.097 46.346 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.061 46.202 -2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.254 46.728 -4.434 1.00 0.00 H new ATOM 1118 N LYS A 91 -17.045 44.934 -4.239 1.00 0.00 N ATOM 1119 CA LYS A 91 -17.863 46.159 -4.230 1.00 0.00 C ATOM 1120 C LYS A 91 -18.610 46.259 -5.574 1.00 0.00 C ATOM 1121 O LYS A 91 -18.186 45.639 -6.549 1.00 0.00 O ATOM 1122 CB LYS A 91 -16.958 47.400 -4.001 1.00 0.00 C ATOM 1123 CG LYS A 91 -17.748 48.717 -3.929 1.00 0.00 C ATOM 1124 CD LYS A 91 -16.916 49.936 -3.520 1.00 0.00 C ATOM 1125 CE LYS A 91 -17.809 51.181 -3.346 1.00 0.00 C ATOM 1126 NZ LYS A 91 -18.555 51.562 -4.579 1.00 0.00 N ATOM 0 H LYS A 91 -17.074 44.478 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.589 46.123 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.398 47.268 -3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.229 47.464 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.197 48.910 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.566 48.597 -3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.392 49.727 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.156 50.132 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.523 50.996 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.189 52.021 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -19.093 52.434 -4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.883 51.721 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.210 50.797 -4.839 1.00 0.00 H new ATOM 1140 N THR A 92 -19.662 47.075 -5.622 1.00 0.00 N ATOM 1141 CA THR A 92 -20.428 47.424 -6.833 1.00 0.00 C ATOM 1142 C THR A 92 -20.858 48.899 -6.792 1.00 0.00 C ATOM 1143 O THR A 92 -20.317 49.695 -6.004 1.00 0.00 O ATOM 1144 CB THR A 92 -21.664 46.523 -6.998 1.00 0.00 C ATOM 1145 OG1 THR A 92 -21.317 45.171 -6.812 1.00 0.00 O ATOM 1146 CG2 THR A 92 -22.278 46.643 -8.391 1.00 0.00 C ATOM 0 H THR A 92 -20.025 47.534 -4.786 1.00 0.00 H new ATOM 0 HA THR A 92 -19.775 47.265 -7.691 1.00 0.00 H new ATOM 0 HB THR A 92 -22.385 46.852 -6.249 1.00 0.00 H new ATOM 0 HG1 THR A 92 -22.114 44.611 -6.919 1.00 0.00 H new ATOM 0 HG21 THR A 92 -23.148 45.990 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 92 -22.583 47.675 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 92 -21.542 46.350 -9.140 1.00 0.00 H new TER 1154 THR A 92 HETATM 1155 ZN ZN A 100 -8.510 18.348 -2.361 1.00 0.00 ZN