USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -1.12 K(o=-0.92,f=-12!) USER MOD Set 1.2: A 57 THR OG1 : rot -72:sc= 0.193 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -163:sc= 0.0365 (180deg=0) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.5!) USER MOD Single : A 6 SER OG : rot -105:sc= 0.333 USER MOD Single : A 15 SER OG : rot -37:sc= 0.402 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.2 X(o=0.2,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -3:sc= 1.1 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.74! C(o=-2.7!,f=-14!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.97 K(o=-3,f=-7.4!) USER MOD Single : A 59 ASN : amide:sc= -3.18 K(o=-3.2,f=-6.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -122:sc=-0.00772 (180deg=-0.246) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.348 4.466 0.748 1.00 0.00 N ATOM 2 CA MET A 1 -10.487 5.659 0.499 1.00 0.00 C ATOM 3 C MET A 1 -9.009 5.265 0.552 1.00 0.00 C ATOM 4 O MET A 1 -8.511 4.832 1.573 1.00 0.00 O ATOM 5 CB MET A 1 -10.824 6.633 1.627 1.00 0.00 C ATOM 6 CG MET A 1 -11.972 7.545 1.190 1.00 0.00 C ATOM 7 SD MET A 1 -11.844 9.132 2.051 1.00 0.00 S ATOM 8 CE MET A 1 -12.223 10.190 0.634 1.00 0.00 C ATOM 0 H1 MET A 1 -12.349 4.746 0.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.162 3.746 0.021 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.134 4.074 1.687 1.00 0.00 H new ATOM 0 HA MET A 1 -10.663 6.097 -0.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.105 6.083 2.525 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.948 7.230 1.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.937 7.700 0.112 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.930 7.074 1.413 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.199 11.235 0.943 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.484 10.026 -0.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.215 9.947 0.254 1.00 0.00 H new ATOM 20 N VAL A 2 -8.309 5.409 -0.544 1.00 0.00 N ATOM 21 CA VAL A 2 -6.859 5.040 -0.568 1.00 0.00 C ATOM 22 C VAL A 2 -6.044 6.043 0.259 1.00 0.00 C ATOM 23 O VAL A 2 -5.254 6.800 -0.273 1.00 0.00 O ATOM 24 CB VAL A 2 -6.456 5.085 -2.049 1.00 0.00 C ATOM 25 CG1 VAL A 2 -6.664 6.498 -2.610 1.00 0.00 C ATOM 26 CG2 VAL A 2 -4.983 4.687 -2.193 1.00 0.00 C ATOM 0 H VAL A 2 -8.678 5.767 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 2 -6.674 4.057 -0.135 1.00 0.00 H new ATOM 0 HB VAL A 2 -7.079 4.386 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.375 6.518 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.714 6.776 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.051 7.205 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.698 4.719 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.362 5.381 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.840 3.677 -1.809 1.00 0.00 H new ATOM 36 N GLN A 3 -6.207 6.025 1.557 1.00 0.00 N ATOM 37 CA GLN A 3 -5.417 6.943 2.430 1.00 0.00 C ATOM 38 C GLN A 3 -4.770 6.159 3.575 1.00 0.00 C ATOM 39 O GLN A 3 -4.857 4.947 3.633 1.00 0.00 O ATOM 40 CB GLN A 3 -6.436 7.946 2.974 1.00 0.00 C ATOM 41 CG GLN A 3 -6.496 9.165 2.052 1.00 0.00 C ATOM 42 CD GLN A 3 -7.615 8.975 1.027 1.00 0.00 C ATOM 43 OE1 GLN A 3 -8.781 9.085 1.355 1.00 0.00 O ATOM 44 NE2 GLN A 3 -7.310 8.693 -0.210 1.00 0.00 N ATOM 0 H GLN A 3 -6.855 5.412 2.051 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.610 7.435 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.419 7.480 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.157 8.253 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.673 10.068 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.541 9.297 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.332 8.601 -0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.049 8.565 -0.901 1.00 0.00 H new ATOM 53 N ARG A 4 -4.145 6.847 4.496 1.00 0.00 N ATOM 54 CA ARG A 4 -3.514 6.150 5.660 1.00 0.00 C ATOM 55 C ARG A 4 -4.577 5.402 6.471 1.00 0.00 C ATOM 56 O ARG A 4 -5.562 5.977 6.897 1.00 0.00 O ATOM 57 CB ARG A 4 -2.868 7.259 6.502 1.00 0.00 C ATOM 58 CG ARG A 4 -3.933 8.270 6.948 1.00 0.00 C ATOM 59 CD ARG A 4 -3.337 9.680 6.944 1.00 0.00 C ATOM 60 NE ARG A 4 -3.901 10.345 8.160 1.00 0.00 N ATOM 61 CZ ARG A 4 -3.938 11.659 8.269 1.00 0.00 C ATOM 62 NH1 ARG A 4 -3.442 12.442 7.339 1.00 0.00 N ATOM 63 NH2 ARG A 4 -4.479 12.194 9.330 1.00 0.00 N ATOM 0 H ARG A 4 -4.044 7.862 4.493 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.779 5.410 5.343 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.379 6.826 7.374 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -2.096 7.764 5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.793 8.226 6.280 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.292 8.019 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.248 9.648 6.982 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.609 10.220 6.037 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.264 9.770 8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.014 12.037 6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.484 13.455 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.866 11.597 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.515 13.209 9.428 1.00 0.00 H new ATOM 77 N GLY A 5 -4.374 4.129 6.699 1.00 0.00 N ATOM 78 CA GLY A 5 -5.356 3.341 7.501 1.00 0.00 C ATOM 79 C GLY A 5 -6.019 2.290 6.607 1.00 0.00 C ATOM 80 O GLY A 5 -6.376 1.218 7.057 1.00 0.00 O ATOM 0 H GLY A 5 -3.568 3.601 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.853 2.857 8.338 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.112 4.003 7.923 1.00 0.00 H new ATOM 84 N SER A 6 -6.159 2.582 5.339 1.00 0.00 N ATOM 85 CA SER A 6 -6.770 1.593 4.400 1.00 0.00 C ATOM 86 C SER A 6 -5.719 0.577 3.946 1.00 0.00 C ATOM 87 O SER A 6 -4.540 0.870 3.896 1.00 0.00 O ATOM 88 CB SER A 6 -7.259 2.424 3.214 1.00 0.00 C ATOM 89 OG SER A 6 -8.498 1.900 2.753 1.00 0.00 O ATOM 0 H SER A 6 -5.876 3.464 4.913 1.00 0.00 H new ATOM 0 HA SER A 6 -7.579 1.028 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.379 3.466 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.521 2.404 2.412 1.00 0.00 H new ATOM 0 HG SER A 6 -8.354 1.407 1.919 1.00 0.00 H new ATOM 95 N LYS A 7 -6.146 -0.611 3.595 1.00 0.00 N ATOM 96 CA LYS A 7 -5.181 -1.648 3.118 1.00 0.00 C ATOM 97 C LYS A 7 -5.250 -1.772 1.593 1.00 0.00 C ATOM 98 O LYS A 7 -6.308 -1.972 1.026 1.00 0.00 O ATOM 99 CB LYS A 7 -5.637 -2.947 3.782 1.00 0.00 C ATOM 100 CG LYS A 7 -5.177 -2.964 5.241 1.00 0.00 C ATOM 101 CD LYS A 7 -3.826 -3.674 5.342 1.00 0.00 C ATOM 102 CE LYS A 7 -3.738 -4.416 6.678 1.00 0.00 C ATOM 103 NZ LYS A 7 -2.594 -5.357 6.520 1.00 0.00 N ATOM 0 H LYS A 7 -7.122 -0.907 3.618 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.150 -1.401 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.722 -3.032 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.225 -3.804 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.093 -1.945 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.915 -3.474 5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.709 -4.375 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.016 -2.950 5.262 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.569 -3.724 7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.663 -4.951 6.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.643 -6.089 7.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.640 -5.805 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.699 -4.834 6.610 1.00 0.00 H new ATOM 117 N VAL A 8 -4.124 -1.680 0.931 1.00 0.00 N ATOM 118 CA VAL A 8 -4.109 -1.824 -0.555 1.00 0.00 C ATOM 119 C VAL A 8 -3.207 -2.992 -0.968 1.00 0.00 C ATOM 120 O VAL A 8 -2.285 -3.354 -0.260 1.00 0.00 O ATOM 121 CB VAL A 8 -3.554 -0.494 -1.084 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.486 0.646 -0.671 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.157 -0.242 -0.503 1.00 0.00 C ATOM 0 H VAL A 8 -3.213 -1.511 1.358 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.100 -2.035 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.488 -0.541 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.093 1.591 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.478 0.474 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.552 0.686 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.770 0.703 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.218 -0.198 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.489 -1.052 -0.797 1.00 0.00 H new ATOM 133 N ARG A 9 -3.453 -3.564 -2.120 1.00 0.00 N ATOM 134 CA ARG A 9 -2.599 -4.691 -2.601 1.00 0.00 C ATOM 135 C ARG A 9 -1.334 -4.146 -3.270 1.00 0.00 C ATOM 136 O ARG A 9 -1.367 -3.137 -3.950 1.00 0.00 O ATOM 137 CB ARG A 9 -3.463 -5.439 -3.615 1.00 0.00 C ATOM 138 CG ARG A 9 -4.344 -6.455 -2.886 1.00 0.00 C ATOM 139 CD ARG A 9 -3.644 -7.816 -2.866 1.00 0.00 C ATOM 140 NE ARG A 9 -4.746 -8.814 -2.703 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.598 -9.064 -3.678 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.491 -8.481 -4.851 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.569 -9.910 -3.474 1.00 0.00 N ATOM 0 H ARG A 9 -4.211 -3.298 -2.749 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.274 -5.340 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.084 -4.735 -4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.830 -5.947 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.538 -6.119 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.310 -6.538 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.089 -7.988 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.929 -7.880 -2.046 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.841 -9.312 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.736 -7.818 -5.024 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.163 -8.692 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.663 -10.370 -2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.235 -10.112 -4.220 1.00 0.00 H new ATOM 157 N ILE A 10 -0.226 -4.823 -3.104 1.00 0.00 N ATOM 158 CA ILE A 10 1.042 -4.369 -3.752 1.00 0.00 C ATOM 159 C ILE A 10 1.150 -4.959 -5.162 1.00 0.00 C ATOM 160 O ILE A 10 1.199 -6.162 -5.339 1.00 0.00 O ATOM 161 CB ILE A 10 2.165 -4.902 -2.854 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.008 -4.344 -1.429 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.526 -4.484 -3.422 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.068 -2.811 -1.443 1.00 0.00 C ATOM 0 H ILE A 10 -0.145 -5.673 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 10 1.090 -3.285 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 10 2.106 -5.990 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.059 -4.673 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.797 -4.739 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.321 -4.865 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.642 -4.893 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.584 -3.396 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.955 -2.433 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.028 -2.488 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.263 -2.421 -2.066 1.00 0.00 H new ATOM 176 N LEU A 11 1.218 -4.117 -6.162 1.00 0.00 N ATOM 177 CA LEU A 11 1.361 -4.617 -7.562 1.00 0.00 C ATOM 178 C LEU A 11 2.806 -4.444 -8.040 1.00 0.00 C ATOM 179 O LEU A 11 3.055 -4.106 -9.181 1.00 0.00 O ATOM 180 CB LEU A 11 0.413 -3.745 -8.395 1.00 0.00 C ATOM 181 CG LEU A 11 -1.017 -4.310 -8.354 1.00 0.00 C ATOM 182 CD1 LEU A 11 -1.037 -5.722 -8.946 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.520 -4.353 -6.908 1.00 0.00 C ATOM 0 H LEU A 11 1.180 -3.102 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 11 1.122 -5.677 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.418 -2.724 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.763 -3.700 -9.426 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.669 -3.664 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.053 -6.116 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.694 -5.688 -9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.379 -6.369 -8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.533 -4.754 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.865 -4.990 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.520 -3.345 -6.493 1.00 0.00 H new ATOM 195 N ARG A 12 3.758 -4.707 -7.179 1.00 0.00 N ATOM 196 CA ARG A 12 5.192 -4.598 -7.583 1.00 0.00 C ATOM 197 C ARG A 12 5.860 -5.982 -7.550 1.00 0.00 C ATOM 198 O ARG A 12 6.420 -6.365 -6.543 1.00 0.00 O ATOM 199 CB ARG A 12 5.824 -3.672 -6.543 1.00 0.00 C ATOM 200 CG ARG A 12 7.039 -2.971 -7.156 1.00 0.00 C ATOM 201 CD ARG A 12 7.347 -1.697 -6.364 1.00 0.00 C ATOM 202 NE ARG A 12 8.840 -1.638 -6.286 1.00 0.00 N ATOM 203 CZ ARG A 12 9.454 -0.924 -5.363 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.784 -0.198 -4.496 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.757 -0.940 -5.308 1.00 0.00 N ATOM 0 H ARG A 12 3.602 -4.993 -6.212 1.00 0.00 H new ATOM 0 HA ARG A 12 5.309 -4.214 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.096 -2.934 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.125 -4.245 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.901 -3.637 -7.143 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.842 -2.725 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.943 -0.816 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.901 -1.733 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 12 9.396 -2.162 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.765 -0.178 -4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.283 0.345 -3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.289 -1.500 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.244 -0.392 -4.599 1.00 0.00 H new ATOM 219 N PRO A 13 5.783 -6.698 -8.656 1.00 0.00 N ATOM 220 CA PRO A 13 6.397 -8.056 -8.730 1.00 0.00 C ATOM 221 C PRO A 13 7.871 -8.018 -8.302 1.00 0.00 C ATOM 222 O PRO A 13 8.416 -9.003 -7.840 1.00 0.00 O ATOM 223 CB PRO A 13 6.278 -8.423 -10.207 1.00 0.00 C ATOM 224 CG PRO A 13 5.133 -7.610 -10.716 1.00 0.00 C ATOM 225 CD PRO A 13 5.126 -6.331 -9.924 1.00 0.00 C ATOM 0 HA PRO A 13 5.911 -8.774 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.197 -8.192 -10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.093 -9.489 -10.335 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.246 -7.405 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.192 -8.147 -10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.667 -5.538 -10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.111 -5.969 -9.758 1.00 0.00 H new ATOM 233 N GLU A 14 8.511 -6.885 -8.445 1.00 0.00 N ATOM 234 CA GLU A 14 9.946 -6.773 -8.039 1.00 0.00 C ATOM 235 C GLU A 14 10.059 -6.650 -6.516 1.00 0.00 C ATOM 236 O GLU A 14 11.056 -7.022 -5.929 1.00 0.00 O ATOM 237 CB GLU A 14 10.454 -5.500 -8.718 1.00 0.00 C ATOM 238 CG GLU A 14 11.951 -5.337 -8.443 1.00 0.00 C ATOM 239 CD GLU A 14 12.352 -3.875 -8.647 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.126 -3.088 -7.744 1.00 0.00 O ATOM 241 OE2 GLU A 14 12.879 -3.569 -9.703 1.00 0.00 O ATOM 0 H GLU A 14 8.102 -6.032 -8.826 1.00 0.00 H new ATOM 0 HA GLU A 14 10.525 -7.649 -8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.274 -5.551 -9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.908 -4.633 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.180 -5.649 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.526 -5.979 -9.110 1.00 0.00 H new ATOM 248 N SER A 15 9.047 -6.117 -5.877 1.00 0.00 N ATOM 249 CA SER A 15 9.097 -5.951 -4.392 1.00 0.00 C ATOM 250 C SER A 15 8.942 -7.310 -3.702 1.00 0.00 C ATOM 251 O SER A 15 8.135 -8.129 -4.101 1.00 0.00 O ATOM 252 CB SER A 15 7.919 -5.038 -4.047 1.00 0.00 C ATOM 253 OG SER A 15 6.709 -5.778 -4.139 1.00 0.00 O ATOM 0 H SER A 15 8.188 -5.790 -6.320 1.00 0.00 H new ATOM 0 HA SER A 15 10.046 -5.530 -4.059 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.038 -4.637 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.891 -4.188 -4.728 1.00 0.00 H new ATOM 0 HG SER A 15 6.764 -6.402 -4.893 1.00 0.00 H new ATOM 259 N TYR A 16 9.673 -7.529 -2.638 1.00 0.00 N ATOM 260 CA TYR A 16 9.533 -8.810 -1.876 1.00 0.00 C ATOM 261 C TYR A 16 8.100 -8.965 -1.355 1.00 0.00 C ATOM 262 O TYR A 16 7.638 -10.064 -1.110 1.00 0.00 O ATOM 263 CB TYR A 16 10.518 -8.694 -0.710 1.00 0.00 C ATOM 264 CG TYR A 16 10.515 -9.978 0.087 1.00 0.00 C ATOM 265 CD1 TYR A 16 11.300 -11.061 -0.326 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.727 -10.084 1.239 1.00 0.00 C ATOM 267 CE1 TYR A 16 11.296 -12.250 0.412 1.00 0.00 C ATOM 268 CE2 TYR A 16 9.724 -11.273 1.978 1.00 0.00 C ATOM 269 CZ TYR A 16 10.508 -12.357 1.564 1.00 0.00 C ATOM 270 OH TYR A 16 10.504 -13.529 2.292 1.00 0.00 O ATOM 0 H TYR A 16 10.361 -6.876 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 16 9.741 -9.681 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.520 -8.490 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.242 -7.856 -0.070 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.909 -10.979 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.121 -9.249 1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.901 -13.086 0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.117 -11.354 2.868 1.00 0.00 H new ATOM 0 HH TYR A 16 9.905 -13.434 3.062 1.00 0.00 H new ATOM 280 N TRP A 17 7.420 -7.870 -1.129 1.00 0.00 N ATOM 281 CA TRP A 17 6.041 -7.945 -0.556 1.00 0.00 C ATOM 282 C TRP A 17 4.999 -7.880 -1.676 1.00 0.00 C ATOM 283 O TRP A 17 3.937 -7.308 -1.513 1.00 0.00 O ATOM 284 CB TRP A 17 5.923 -6.722 0.357 1.00 0.00 C ATOM 285 CG TRP A 17 6.922 -6.827 1.466 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.837 -7.680 2.511 1.00 0.00 C ATOM 287 CD2 TRP A 17 8.152 -6.068 1.654 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.936 -7.494 3.331 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.775 -6.510 2.846 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.780 -5.049 0.917 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.979 -5.961 3.288 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.992 -4.494 1.358 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.590 -4.948 2.542 1.00 0.00 C ATOM 0 H TRP A 17 7.760 -6.927 -1.316 1.00 0.00 H new ATOM 0 HA TRP A 17 5.869 -8.876 -0.015 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.094 -5.810 -0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.915 -6.657 0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.041 -8.391 2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.106 -8.019 4.189 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.327 -4.690 0.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 10.436 -6.316 4.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.466 -3.713 0.782 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.521 -4.516 2.878 1.00 0.00 H new ATOM 304 N PHE A 18 5.275 -8.506 -2.792 1.00 0.00 N ATOM 305 CA PHE A 18 4.279 -8.535 -3.907 1.00 0.00 C ATOM 306 C PHE A 18 3.087 -9.418 -3.528 1.00 0.00 C ATOM 307 O PHE A 18 3.193 -10.294 -2.692 1.00 0.00 O ATOM 308 CB PHE A 18 5.028 -9.131 -5.101 1.00 0.00 C ATOM 309 CG PHE A 18 4.137 -9.100 -6.320 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.658 -7.877 -6.804 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.792 -10.293 -6.966 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.832 -7.848 -7.935 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.967 -10.263 -8.096 1.00 0.00 C ATOM 314 CZ PHE A 18 2.487 -9.041 -8.580 1.00 0.00 C ATOM 0 H PHE A 18 6.148 -8.999 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 18 3.884 -7.544 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.941 -8.566 -5.290 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.327 -10.156 -4.882 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.925 -6.957 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.162 -11.236 -6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.461 -6.905 -8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.701 -11.183 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.850 -9.019 -9.452 1.00 0.00 H new ATOM 324 N GLN A 19 1.956 -9.210 -4.163 1.00 0.00 N ATOM 325 CA GLN A 19 0.747 -10.053 -3.876 1.00 0.00 C ATOM 326 C GLN A 19 0.441 -10.074 -2.373 1.00 0.00 C ATOM 327 O GLN A 19 -0.160 -11.004 -1.868 1.00 0.00 O ATOM 328 CB GLN A 19 1.101 -11.458 -4.372 1.00 0.00 C ATOM 329 CG GLN A 19 0.652 -11.615 -5.826 1.00 0.00 C ATOM 330 CD GLN A 19 0.910 -13.050 -6.289 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.066 -13.910 -6.139 1.00 0.00 O ATOM 332 NE2 GLN A 19 2.051 -13.346 -6.849 1.00 0.00 N ATOM 0 H GLN A 19 1.817 -8.489 -4.871 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.142 -9.660 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.175 -11.623 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.616 -12.208 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.408 -11.377 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.192 -10.914 -6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.760 -12.624 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.234 -14.300 -7.161 1.00 0.00 H new ATOM 341 N ASP A 20 0.823 -9.041 -1.667 1.00 0.00 N ATOM 342 CA ASP A 20 0.529 -8.975 -0.205 1.00 0.00 C ATOM 343 C ASP A 20 -0.200 -7.670 0.129 1.00 0.00 C ATOM 344 O ASP A 20 0.196 -6.602 -0.298 1.00 0.00 O ATOM 345 CB ASP A 20 1.897 -9.015 0.478 1.00 0.00 C ATOM 346 CG ASP A 20 2.355 -10.468 0.618 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.990 -11.091 1.601 1.00 0.00 O ATOM 348 OD2 ASP A 20 3.062 -10.933 -0.260 1.00 0.00 O ATOM 0 H ASP A 20 1.328 -8.238 -2.042 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.114 -9.792 0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.623 -8.448 -0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.839 -8.545 1.460 1.00 0.00 H new ATOM 353 N VAL A 21 -1.247 -7.749 0.911 1.00 0.00 N ATOM 354 CA VAL A 21 -1.992 -6.514 1.304 1.00 0.00 C ATOM 355 C VAL A 21 -1.275 -5.821 2.467 1.00 0.00 C ATOM 356 O VAL A 21 -1.331 -6.271 3.597 1.00 0.00 O ATOM 357 CB VAL A 21 -3.380 -7.000 1.736 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.249 -5.803 2.132 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.050 -7.743 0.574 1.00 0.00 C ATOM 0 H VAL A 21 -1.619 -8.618 1.295 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.056 -5.792 0.490 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.272 -7.670 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.234 -6.154 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.780 -5.271 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.352 -5.131 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.037 -8.088 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.151 -7.071 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.439 -8.600 0.289 1.00 0.00 H new ATOM 369 N GLY A 22 -0.619 -4.720 2.200 1.00 0.00 N ATOM 370 CA GLY A 22 0.085 -3.979 3.286 1.00 0.00 C ATOM 371 C GLY A 22 -0.800 -2.834 3.783 1.00 0.00 C ATOM 372 O GLY A 22 -1.810 -2.517 3.184 1.00 0.00 O ATOM 0 H GLY A 22 -0.542 -4.302 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.319 -4.655 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.032 -3.586 2.917 1.00 0.00 H new ATOM 376 N THR A 23 -0.412 -2.198 4.858 1.00 0.00 N ATOM 377 CA THR A 23 -1.210 -1.052 5.387 1.00 0.00 C ATOM 378 C THR A 23 -0.516 0.272 5.057 1.00 0.00 C ATOM 379 O THR A 23 0.694 0.381 5.126 1.00 0.00 O ATOM 380 CB THR A 23 -1.262 -1.269 6.900 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.574 -2.628 7.171 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.335 -0.366 7.511 1.00 0.00 C ATOM 0 H THR A 23 0.426 -2.424 5.394 1.00 0.00 H new ATOM 0 HA THR A 23 -2.207 -1.006 4.949 1.00 0.00 H new ATOM 0 HB THR A 23 -0.293 -1.024 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.606 -2.769 8.140 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.371 -0.522 8.589 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.095 0.677 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.305 -0.609 7.077 1.00 0.00 H new ATOM 390 N VAL A 24 -1.278 1.285 4.729 1.00 0.00 N ATOM 391 CA VAL A 24 -0.674 2.618 4.427 1.00 0.00 C ATOM 392 C VAL A 24 -0.355 3.357 5.732 1.00 0.00 C ATOM 393 O VAL A 24 -1.219 3.565 6.563 1.00 0.00 O ATOM 394 CB VAL A 24 -1.742 3.371 3.625 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.221 4.760 3.249 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.067 2.592 2.347 1.00 0.00 C ATOM 0 H VAL A 24 -2.295 1.246 4.657 1.00 0.00 H new ATOM 0 HA VAL A 24 0.260 2.533 3.872 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.641 3.471 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.983 5.292 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.989 5.319 4.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.320 4.659 2.644 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.826 3.128 1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.165 2.490 1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.441 1.602 2.609 1.00 0.00 H new ATOM 406 N ALA A 25 0.874 3.773 5.902 1.00 0.00 N ATOM 407 CA ALA A 25 1.252 4.524 7.135 1.00 0.00 C ATOM 408 C ALA A 25 0.945 6.015 6.963 1.00 0.00 C ATOM 409 O ALA A 25 0.279 6.618 7.783 1.00 0.00 O ATOM 410 CB ALA A 25 2.757 4.302 7.290 1.00 0.00 C ATOM 0 H ALA A 25 1.633 3.624 5.238 1.00 0.00 H new ATOM 0 HA ALA A 25 0.698 4.184 8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.112 4.825 8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.959 3.236 7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.274 4.687 6.411 1.00 0.00 H new ATOM 416 N SER A 26 1.405 6.602 5.888 1.00 0.00 N ATOM 417 CA SER A 26 1.123 8.047 5.638 1.00 0.00 C ATOM 418 C SER A 26 1.498 8.418 4.200 1.00 0.00 C ATOM 419 O SER A 26 1.929 7.582 3.428 1.00 0.00 O ATOM 420 CB SER A 26 2.003 8.801 6.632 1.00 0.00 C ATOM 421 OG SER A 26 3.330 8.295 6.562 1.00 0.00 O ATOM 0 H SER A 26 1.965 6.141 5.171 1.00 0.00 H new ATOM 0 HA SER A 26 0.068 8.289 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.996 9.867 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.611 8.687 7.642 1.00 0.00 H new ATOM 0 HG SER A 26 3.898 8.778 7.198 1.00 0.00 H new ATOM 427 N VAL A 27 1.364 9.672 3.848 1.00 0.00 N ATOM 428 CA VAL A 27 1.742 10.115 2.473 1.00 0.00 C ATOM 429 C VAL A 27 2.883 11.135 2.546 1.00 0.00 C ATOM 430 O VAL A 27 2.849 12.059 3.338 1.00 0.00 O ATOM 431 CB VAL A 27 0.475 10.758 1.896 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.746 11.245 0.469 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.657 9.727 1.869 1.00 0.00 C ATOM 0 H VAL A 27 1.008 10.409 4.456 1.00 0.00 H new ATOM 0 HA VAL A 27 2.092 9.290 1.853 1.00 0.00 H new ATOM 0 HB VAL A 27 0.187 11.603 2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.157 11.701 0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.550 11.981 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.038 10.400 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.557 10.185 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.364 8.881 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.857 9.379 2.883 1.00 0.00 H new ATOM 443 N ASP A 28 3.877 10.987 1.708 1.00 0.00 N ATOM 444 CA ASP A 28 5.011 11.959 1.702 1.00 0.00 C ATOM 445 C ASP A 28 4.656 13.179 0.849 1.00 0.00 C ATOM 446 O ASP A 28 4.589 13.101 -0.364 1.00 0.00 O ATOM 447 CB ASP A 28 6.183 11.196 1.085 1.00 0.00 C ATOM 448 CG ASP A 28 7.499 11.747 1.636 1.00 0.00 C ATOM 449 OD1 ASP A 28 7.715 12.942 1.514 1.00 0.00 O ATOM 450 OD2 ASP A 28 8.269 10.966 2.171 1.00 0.00 O ATOM 0 H ASP A 28 3.952 10.232 1.026 1.00 0.00 H new ATOM 0 HA ASP A 28 5.245 12.327 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.098 10.133 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.162 11.293 -0.000 1.00 0.00 H new ATOM 455 N GLN A 29 4.455 14.312 1.474 1.00 0.00 N ATOM 456 CA GLN A 29 4.135 15.552 0.707 1.00 0.00 C ATOM 457 C GLN A 29 5.414 16.341 0.418 1.00 0.00 C ATOM 458 O GLN A 29 5.733 17.295 1.104 1.00 0.00 O ATOM 459 CB GLN A 29 3.204 16.352 1.619 1.00 0.00 C ATOM 460 CG GLN A 29 2.721 17.605 0.885 1.00 0.00 C ATOM 461 CD GLN A 29 1.895 18.469 1.838 1.00 0.00 C ATOM 462 OE1 GLN A 29 2.265 19.587 2.139 1.00 0.00 O ATOM 463 NE2 GLN A 29 0.783 17.997 2.331 1.00 0.00 N ATOM 0 H GLN A 29 4.499 14.431 2.486 1.00 0.00 H new ATOM 0 HA GLN A 29 3.674 15.334 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.352 15.739 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.727 16.632 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.574 18.171 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.121 17.324 0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.471 17.059 2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.225 18.566 2.968 1.00 0.00 H new ATOM 472 N SER A 30 6.133 15.966 -0.610 1.00 0.00 N ATOM 473 CA SER A 30 7.378 16.707 -0.971 1.00 0.00 C ATOM 474 C SER A 30 7.818 16.343 -2.391 1.00 0.00 C ATOM 475 O SER A 30 7.901 17.190 -3.260 1.00 0.00 O ATOM 476 CB SER A 30 8.421 16.248 0.047 1.00 0.00 C ATOM 477 OG SER A 30 8.188 16.903 1.286 1.00 0.00 O ATOM 0 H SER A 30 5.910 15.176 -1.216 1.00 0.00 H new ATOM 0 HA SER A 30 7.236 17.787 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.367 15.167 0.178 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.424 16.475 -0.315 1.00 0.00 H new ATOM 0 HG SER A 30 7.449 17.539 1.186 1.00 0.00 H new ATOM 483 N GLY A 31 8.072 15.082 -2.637 1.00 0.00 N ATOM 484 CA GLY A 31 8.476 14.647 -4.007 1.00 0.00 C ATOM 485 C GLY A 31 9.437 13.461 -3.904 1.00 0.00 C ATOM 486 O GLY A 31 10.640 13.619 -3.992 1.00 0.00 O ATOM 0 H GLY A 31 8.017 14.334 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.596 14.366 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.955 15.472 -4.535 1.00 0.00 H new ATOM 490 N ILE A 32 8.911 12.273 -3.744 1.00 0.00 N ATOM 491 CA ILE A 32 9.787 11.065 -3.665 1.00 0.00 C ATOM 492 C ILE A 32 9.380 10.044 -4.733 1.00 0.00 C ATOM 493 O ILE A 32 8.329 10.151 -5.338 1.00 0.00 O ATOM 494 CB ILE A 32 9.566 10.498 -2.257 1.00 0.00 C ATOM 495 CG1 ILE A 32 8.083 10.166 -2.052 1.00 0.00 C ATOM 496 CG2 ILE A 32 10.000 11.533 -1.218 1.00 0.00 C ATOM 497 CD1 ILE A 32 7.900 9.451 -0.712 1.00 0.00 C ATOM 0 H ILE A 32 7.911 12.087 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 32 10.836 11.304 -3.842 1.00 0.00 H new ATOM 0 HB ILE A 32 10.157 9.589 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.489 11.080 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.725 9.534 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.843 11.131 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.056 11.765 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.410 12.441 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.846 9.215 -0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.482 8.529 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.242 10.098 0.096 1.00 0.00 H new ATOM 509 N LYS A 33 10.219 9.071 -4.984 1.00 0.00 N ATOM 510 CA LYS A 33 9.903 8.055 -6.037 1.00 0.00 C ATOM 511 C LYS A 33 8.603 7.316 -5.696 1.00 0.00 C ATOM 512 O LYS A 33 7.898 6.851 -6.572 1.00 0.00 O ATOM 513 CB LYS A 33 11.093 7.085 -6.041 1.00 0.00 C ATOM 514 CG LYS A 33 11.261 6.451 -4.656 1.00 0.00 C ATOM 515 CD LYS A 33 12.248 5.286 -4.744 1.00 0.00 C ATOM 516 CE LYS A 33 12.522 4.740 -3.340 1.00 0.00 C ATOM 517 NZ LYS A 33 13.948 4.310 -3.366 1.00 0.00 N ATOM 0 H LYS A 33 11.110 8.935 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 33 9.756 8.515 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.936 6.308 -6.789 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.004 7.616 -6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.622 7.195 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.298 6.098 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.842 4.499 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.179 5.618 -5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.353 5.503 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.862 3.905 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.211 3.924 -2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.077 3.579 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.553 5.127 -3.585 1.00 0.00 H new ATOM 531 N TYR A 34 8.267 7.235 -4.433 1.00 0.00 N ATOM 532 CA TYR A 34 6.996 6.562 -4.031 1.00 0.00 C ATOM 533 C TYR A 34 6.253 7.411 -2.986 1.00 0.00 C ATOM 534 O TYR A 34 6.548 7.328 -1.810 1.00 0.00 O ATOM 535 CB TYR A 34 7.431 5.226 -3.427 1.00 0.00 C ATOM 536 CG TYR A 34 8.020 4.347 -4.506 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.290 4.079 -5.672 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.297 3.799 -4.341 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.837 3.265 -6.670 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.844 2.984 -5.339 1.00 0.00 C ATOM 541 CZ TYR A 34 9.114 2.717 -6.504 1.00 0.00 C ATOM 542 OH TYR A 34 9.654 1.914 -7.487 1.00 0.00 O ATOM 0 H TYR A 34 8.821 7.607 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 34 6.315 6.427 -4.871 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.166 5.394 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.577 4.729 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.304 4.501 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.861 4.005 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.274 3.060 -7.568 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.829 2.561 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 34 10.547 1.618 -7.213 1.00 0.00 H new ATOM 552 N PRO A 35 5.306 8.207 -3.444 1.00 0.00 N ATOM 553 CA PRO A 35 4.524 9.075 -2.515 1.00 0.00 C ATOM 554 C PRO A 35 3.919 8.254 -1.367 1.00 0.00 C ATOM 555 O PRO A 35 3.878 8.699 -0.235 1.00 0.00 O ATOM 556 CB PRO A 35 3.420 9.648 -3.402 1.00 0.00 C ATOM 557 CG PRO A 35 3.970 9.588 -4.788 1.00 0.00 C ATOM 558 CD PRO A 35 4.874 8.386 -4.841 1.00 0.00 C ATOM 0 HA PRO A 35 5.138 9.842 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.502 9.066 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.176 10.672 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.167 9.501 -5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.521 10.498 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.348 7.506 -5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.723 8.553 -5.504 1.00 0.00 H new ATOM 566 N VAL A 36 3.336 7.124 -1.679 1.00 0.00 N ATOM 567 CA VAL A 36 2.596 6.346 -0.638 1.00 0.00 C ATOM 568 C VAL A 36 3.552 5.385 0.078 1.00 0.00 C ATOM 569 O VAL A 36 4.258 4.618 -0.548 1.00 0.00 O ATOM 570 CB VAL A 36 1.520 5.570 -1.404 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.684 4.741 -0.425 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.603 6.553 -2.140 1.00 0.00 C ATOM 0 H VAL A 36 3.340 6.706 -2.610 1.00 0.00 H new ATOM 0 HA VAL A 36 2.160 6.989 0.126 1.00 0.00 H new ATOM 0 HB VAL A 36 2.002 4.908 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.080 4.191 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.330 4.038 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.206 5.403 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.162 5.999 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.126 7.216 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.192 7.144 -2.842 1.00 0.00 H new ATOM 582 N ILE A 37 3.531 5.384 1.387 1.00 0.00 N ATOM 583 CA ILE A 37 4.384 4.426 2.155 1.00 0.00 C ATOM 584 C ILE A 37 3.544 3.229 2.612 1.00 0.00 C ATOM 585 O ILE A 37 2.469 3.388 3.160 1.00 0.00 O ATOM 586 CB ILE A 37 4.895 5.224 3.360 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.711 6.429 2.874 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.785 4.332 4.232 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.462 7.623 3.797 1.00 0.00 C ATOM 0 H ILE A 37 2.959 6.006 1.958 1.00 0.00 H new ATOM 0 HA ILE A 37 5.205 4.029 1.558 1.00 0.00 H new ATOM 0 HB ILE A 37 4.043 5.571 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.772 6.181 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.431 6.682 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.146 4.903 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.209 3.476 4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.634 3.981 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.042 8.478 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.402 7.876 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.764 7.367 4.813 1.00 0.00 H new ATOM 601 N VAL A 38 4.046 2.035 2.424 1.00 0.00 N ATOM 602 CA VAL A 38 3.303 0.822 2.883 1.00 0.00 C ATOM 603 C VAL A 38 4.080 0.125 4.006 1.00 0.00 C ATOM 604 O VAL A 38 5.284 -0.036 3.928 1.00 0.00 O ATOM 605 CB VAL A 38 3.206 -0.081 1.649 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.443 -1.360 2.005 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.461 0.653 0.531 1.00 0.00 C ATOM 0 H VAL A 38 4.941 1.847 1.971 1.00 0.00 H new ATOM 0 HA VAL A 38 2.318 1.065 3.281 1.00 0.00 H new ATOM 0 HB VAL A 38 4.211 -0.336 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.376 -2.000 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.970 -1.889 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.440 -1.103 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.394 0.008 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.458 0.910 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.001 1.564 0.271 1.00 0.00 H new ATOM 617 N ARG A 39 3.393 -0.318 5.027 1.00 0.00 N ATOM 618 CA ARG A 39 4.077 -1.044 6.138 1.00 0.00 C ATOM 619 C ARG A 39 3.762 -2.540 6.065 1.00 0.00 C ATOM 620 O ARG A 39 2.623 -2.950 6.197 1.00 0.00 O ATOM 621 CB ARG A 39 3.503 -0.437 7.419 1.00 0.00 C ATOM 622 CG ARG A 39 4.213 -1.040 8.633 1.00 0.00 C ATOM 623 CD ARG A 39 3.233 -1.131 9.806 1.00 0.00 C ATOM 624 NE ARG A 39 3.481 0.101 10.620 1.00 0.00 N ATOM 625 CZ ARG A 39 2.604 0.526 11.508 1.00 0.00 C ATOM 626 NH1 ARG A 39 1.456 -0.086 11.690 1.00 0.00 N ATOM 627 NH2 ARG A 39 2.884 1.581 12.224 1.00 0.00 N ATOM 0 H ARG A 39 2.385 -0.208 5.139 1.00 0.00 H new ATOM 0 HA ARG A 39 5.161 -0.946 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.631 0.645 7.410 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.432 -0.631 7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.596 -2.031 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.070 -0.426 8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.202 -1.171 9.456 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.405 -2.033 10.394 1.00 0.00 H new ATOM 0 HE ARG A 39 4.347 0.623 10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.225 -0.912 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.796 0.264 12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.772 2.065 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.215 1.921 12.915 1.00 0.00 H new ATOM 641 N PHE A 40 4.765 -3.358 5.875 1.00 0.00 N ATOM 642 CA PHE A 40 4.537 -4.832 5.812 1.00 0.00 C ATOM 643 C PHE A 40 4.795 -5.466 7.181 1.00 0.00 C ATOM 644 O PHE A 40 5.668 -5.043 7.915 1.00 0.00 O ATOM 645 CB PHE A 40 5.548 -5.346 4.786 1.00 0.00 C ATOM 646 CG PHE A 40 5.244 -4.748 3.434 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.974 -4.905 2.867 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.233 -4.036 2.745 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.692 -4.351 1.613 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.953 -3.480 1.491 1.00 0.00 C ATOM 651 CZ PHE A 40 4.682 -3.638 0.925 1.00 0.00 C ATOM 0 H PHE A 40 5.736 -3.067 5.760 1.00 0.00 H new ATOM 0 HA PHE A 40 3.512 -5.079 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.560 -5.081 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.506 -6.434 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.211 -5.454 3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.213 -3.915 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.712 -4.473 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.716 -2.930 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.465 -3.210 -0.042 1.00 0.00 H new ATOM 661 N GLU A 41 4.099 -6.532 7.489 1.00 0.00 N ATOM 662 CA GLU A 41 4.363 -7.263 8.764 1.00 0.00 C ATOM 663 C GLU A 41 5.523 -8.245 8.578 1.00 0.00 C ATOM 664 O GLU A 41 6.268 -8.518 9.501 1.00 0.00 O ATOM 665 CB GLU A 41 3.066 -8.015 9.066 1.00 0.00 C ATOM 666 CG GLU A 41 2.019 -7.034 9.598 1.00 0.00 C ATOM 667 CD GLU A 41 0.684 -7.760 9.776 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.371 -8.597 8.945 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.003 -7.466 10.741 1.00 0.00 O ATOM 0 H GLU A 41 3.358 -6.927 6.910 1.00 0.00 H new ATOM 0 HA GLU A 41 4.642 -6.591 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.697 -8.503 8.164 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.251 -8.800 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.347 -6.616 10.549 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.902 -6.200 8.906 1.00 0.00 H new ATOM 676 N LYS A 42 5.702 -8.743 7.382 1.00 0.00 N ATOM 677 CA LYS A 42 6.842 -9.670 7.112 1.00 0.00 C ATOM 678 C LYS A 42 8.123 -8.873 6.855 1.00 0.00 C ATOM 679 O LYS A 42 8.079 -7.686 6.589 1.00 0.00 O ATOM 680 CB LYS A 42 6.434 -10.446 5.860 1.00 0.00 C ATOM 681 CG LYS A 42 7.126 -11.810 5.855 1.00 0.00 C ATOM 682 CD LYS A 42 6.348 -12.775 4.958 1.00 0.00 C ATOM 683 CE LYS A 42 6.727 -14.216 5.308 1.00 0.00 C ATOM 684 NZ LYS A 42 5.784 -14.609 6.391 1.00 0.00 N ATOM 0 H LYS A 42 5.106 -8.547 6.578 1.00 0.00 H new ATOM 0 HA LYS A 42 7.044 -10.332 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.352 -10.576 5.836 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.707 -9.885 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.150 -11.709 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.182 -12.205 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.276 -12.627 5.090 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.570 -12.574 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.629 -14.871 4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.762 -14.282 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.981 -15.587 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.904 -13.972 7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.807 -14.543 6.041 1.00 0.00 H new ATOM 698 N VAL A 43 9.248 -9.541 6.818 1.00 0.00 N ATOM 699 CA VAL A 43 10.521 -8.854 6.444 1.00 0.00 C ATOM 700 C VAL A 43 10.968 -9.292 5.045 1.00 0.00 C ATOM 701 O VAL A 43 10.221 -9.918 4.315 1.00 0.00 O ATOM 702 CB VAL A 43 11.542 -9.286 7.503 1.00 0.00 C ATOM 703 CG1 VAL A 43 11.074 -8.821 8.883 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.680 -10.814 7.505 1.00 0.00 C ATOM 0 H VAL A 43 9.340 -10.534 7.031 1.00 0.00 H new ATOM 0 HA VAL A 43 10.410 -7.770 6.414 1.00 0.00 H new ATOM 0 HB VAL A 43 12.508 -8.837 7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.800 -9.128 9.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.982 -7.735 8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.106 -9.268 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.407 -11.113 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.715 -11.266 7.732 1.00 0.00 H new ATOM 0 HG23 VAL A 43 12.016 -11.150 6.524 1.00 0.00 H new ATOM 714 N ASN A 44 12.201 -9.025 4.697 1.00 0.00 N ATOM 715 CA ASN A 44 12.728 -9.486 3.377 1.00 0.00 C ATOM 716 C ASN A 44 14.194 -9.917 3.513 1.00 0.00 C ATOM 717 O ASN A 44 14.668 -10.194 4.599 1.00 0.00 O ATOM 718 CB ASN A 44 12.595 -8.274 2.447 1.00 0.00 C ATOM 719 CG ASN A 44 13.410 -7.094 2.992 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.841 -7.106 4.129 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.640 -6.067 2.220 1.00 0.00 N ATOM 0 H ASN A 44 12.866 -8.507 5.271 1.00 0.00 H new ATOM 0 HA ASN A 44 12.184 -10.348 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.943 -8.534 1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.547 -7.990 2.356 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.180 -5.276 2.571 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.279 -6.055 1.266 1.00 0.00 H new ATOM 728 N TYR A 45 14.896 -10.017 2.413 1.00 0.00 N ATOM 729 CA TYR A 45 16.317 -10.479 2.466 1.00 0.00 C ATOM 730 C TYR A 45 17.216 -9.375 3.031 1.00 0.00 C ATOM 731 O TYR A 45 18.282 -9.643 3.554 1.00 0.00 O ATOM 732 CB TYR A 45 16.694 -10.785 1.014 1.00 0.00 C ATOM 733 CG TYR A 45 15.863 -11.940 0.511 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.935 -13.185 1.148 1.00 0.00 C ATOM 735 CD2 TYR A 45 15.020 -11.767 -0.593 1.00 0.00 C ATOM 736 CE1 TYR A 45 15.163 -14.257 0.682 1.00 0.00 C ATOM 737 CE2 TYR A 45 14.248 -12.838 -1.060 1.00 0.00 C ATOM 738 CZ TYR A 45 14.320 -14.083 -0.422 1.00 0.00 C ATOM 739 OH TYR A 45 13.560 -15.139 -0.883 1.00 0.00 O ATOM 0 H TYR A 45 14.547 -9.799 1.480 1.00 0.00 H new ATOM 0 HA TYR A 45 16.440 -11.349 3.111 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.529 -9.906 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.754 -11.029 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.586 -13.319 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.965 -10.807 -1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.218 -15.217 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.597 -12.704 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 45 13.030 -14.849 -1.655 1.00 0.00 H new ATOM 749 N SER A 46 16.832 -8.136 2.855 1.00 0.00 N ATOM 750 CA SER A 46 17.706 -7.006 3.297 1.00 0.00 C ATOM 751 C SER A 46 17.243 -6.460 4.652 1.00 0.00 C ATOM 752 O SER A 46 17.634 -5.380 5.054 1.00 0.00 O ATOM 753 CB SER A 46 17.554 -5.942 2.211 1.00 0.00 C ATOM 754 OG SER A 46 18.257 -6.354 1.047 1.00 0.00 O ATOM 0 H SER A 46 15.950 -7.858 2.424 1.00 0.00 H new ATOM 0 HA SER A 46 18.742 -7.318 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.500 -5.791 1.979 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.942 -4.987 2.565 1.00 0.00 H new ATOM 0 HG SER A 46 18.160 -5.674 0.348 1.00 0.00 H new ATOM 760 N GLY A 47 16.538 -7.257 5.421 1.00 0.00 N ATOM 761 CA GLY A 47 16.201 -6.851 6.821 1.00 0.00 C ATOM 762 C GLY A 47 15.389 -5.554 6.807 1.00 0.00 C ATOM 763 O GLY A 47 15.772 -4.568 7.409 1.00 0.00 O ATOM 0 H GLY A 47 16.182 -8.170 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.632 -7.641 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.115 -6.712 7.398 1.00 0.00 H new ATOM 767 N ILE A 55 14.239 -5.570 6.183 1.00 0.00 N ATOM 768 CA ILE A 55 13.356 -4.362 6.195 1.00 0.00 C ATOM 769 C ILE A 55 11.910 -4.774 6.492 1.00 0.00 C ATOM 770 O ILE A 55 11.478 -5.852 6.132 1.00 0.00 O ATOM 771 CB ILE A 55 13.472 -3.765 4.788 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.931 -3.397 4.503 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.607 -2.505 4.690 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.074 -2.951 3.046 1.00 0.00 C ATOM 0 H ILE A 55 13.872 -6.368 5.665 1.00 0.00 H new ATOM 0 HA ILE A 55 13.647 -3.643 6.961 1.00 0.00 H new ATOM 0 HB ILE A 55 13.131 -4.500 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.252 -2.598 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.577 -4.253 4.697 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.691 -2.083 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.567 -2.762 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.947 -1.773 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.113 -2.690 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.770 -3.763 2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.441 -2.082 2.868 1.00 0.00 H new ATOM 786 N ASN A 56 11.163 -3.918 7.142 1.00 0.00 N ATOM 787 CA ASN A 56 9.741 -4.248 7.461 1.00 0.00 C ATOM 788 C ASN A 56 8.789 -3.307 6.710 1.00 0.00 C ATOM 789 O ASN A 56 7.653 -3.651 6.443 1.00 0.00 O ATOM 790 CB ASN A 56 9.614 -4.058 8.978 1.00 0.00 C ATOM 791 CG ASN A 56 9.950 -2.613 9.365 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.554 -1.887 8.601 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.578 -2.161 10.532 1.00 0.00 N ATOM 0 H ASN A 56 11.477 -3.003 7.466 1.00 0.00 H new ATOM 0 HA ASN A 56 9.478 -5.262 7.158 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.601 -4.301 9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.284 -4.745 9.494 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.795 -1.201 10.800 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.071 -2.768 11.176 1.00 0.00 H new ATOM 800 N THR A 57 9.242 -2.123 6.381 1.00 0.00 N ATOM 801 CA THR A 57 8.363 -1.153 5.661 1.00 0.00 C ATOM 802 C THR A 57 9.095 -0.577 4.445 1.00 0.00 C ATOM 803 O THR A 57 10.306 -0.469 4.436 1.00 0.00 O ATOM 804 CB THR A 57 8.068 -0.052 6.681 1.00 0.00 C ATOM 805 OG1 THR A 57 9.291 0.515 7.128 1.00 0.00 O ATOM 806 CG2 THR A 57 7.314 -0.645 7.872 1.00 0.00 C ATOM 0 H THR A 57 10.184 -1.787 6.581 1.00 0.00 H new ATOM 0 HA THR A 57 7.450 -1.620 5.290 1.00 0.00 H new ATOM 0 HB THR A 57 7.456 0.721 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.750 -0.120 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.105 0.141 8.598 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.376 -1.081 7.528 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.923 -1.418 8.340 1.00 0.00 H new ATOM 814 N ASN A 58 8.361 -0.167 3.442 1.00 0.00 N ATOM 815 CA ASN A 58 9.002 0.451 2.242 1.00 0.00 C ATOM 816 C ASN A 58 8.103 1.554 1.675 1.00 0.00 C ATOM 817 O ASN A 58 7.155 1.978 2.306 1.00 0.00 O ATOM 818 CB ASN A 58 9.147 -0.693 1.237 1.00 0.00 C ATOM 819 CG ASN A 58 10.560 -1.273 1.321 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.995 -1.692 2.376 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.300 -1.315 0.248 1.00 0.00 N ATOM 0 H ASN A 58 7.344 -0.234 3.402 1.00 0.00 H new ATOM 0 HA ASN A 58 9.962 0.911 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.411 -1.470 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.951 -0.331 0.228 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.244 -1.699 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.935 -0.963 -0.637 1.00 0.00 H new ATOM 828 N ASN A 59 8.399 2.017 0.487 1.00 0.00 N ATOM 829 CA ASN A 59 7.567 3.094 -0.132 1.00 0.00 C ATOM 830 C ASN A 59 7.104 2.668 -1.528 1.00 0.00 C ATOM 831 O ASN A 59 7.888 2.211 -2.338 1.00 0.00 O ATOM 832 CB ASN A 59 8.492 4.308 -0.220 1.00 0.00 C ATOM 833 CG ASN A 59 8.918 4.729 1.189 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.448 3.933 1.939 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.707 5.956 1.581 1.00 0.00 N ATOM 0 H ASN A 59 9.182 1.695 -0.082 1.00 0.00 H new ATOM 0 HA ASN A 59 6.669 3.308 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.370 4.067 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.982 5.132 -0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.987 6.247 2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.262 6.623 0.951 1.00 0.00 H new ATOM 842 N PHE A 60 5.839 2.837 -1.819 1.00 0.00 N ATOM 843 CA PHE A 60 5.319 2.467 -3.169 1.00 0.00 C ATOM 844 C PHE A 60 4.476 3.608 -3.744 1.00 0.00 C ATOM 845 O PHE A 60 3.996 4.460 -3.021 1.00 0.00 O ATOM 846 CB PHE A 60 4.454 1.227 -2.936 1.00 0.00 C ATOM 847 CG PHE A 60 5.314 0.102 -2.411 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.678 0.072 -1.060 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.748 -0.909 -3.276 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.475 -0.971 -0.573 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.545 -1.953 -2.789 1.00 0.00 C ATOM 852 CZ PHE A 60 6.909 -1.983 -1.437 1.00 0.00 C ATOM 0 H PHE A 60 5.143 3.216 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 60 6.122 2.276 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.660 1.454 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.973 0.927 -3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.344 0.853 -0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.468 -0.884 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.755 -0.995 0.470 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.879 -2.734 -3.456 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.525 -2.787 -1.061 1.00 0.00 H new ATOM 862 N ALA A 61 4.272 3.613 -5.037 1.00 0.00 N ATOM 863 CA ALA A 61 3.433 4.678 -5.666 1.00 0.00 C ATOM 864 C ALA A 61 1.950 4.320 -5.548 1.00 0.00 C ATOM 865 O ALA A 61 1.580 3.161 -5.558 1.00 0.00 O ATOM 866 CB ALA A 61 3.864 4.706 -7.132 1.00 0.00 C ATOM 0 H ALA A 61 4.651 2.923 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 61 3.564 5.647 -5.184 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.292 5.466 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.926 4.942 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.681 3.731 -7.584 1.00 0.00 H new ATOM 872 N GLU A 62 1.097 5.310 -5.472 1.00 0.00 N ATOM 873 CA GLU A 62 -0.373 5.037 -5.396 1.00 0.00 C ATOM 874 C GLU A 62 -0.838 4.283 -6.647 1.00 0.00 C ATOM 875 O GLU A 62 -1.757 3.488 -6.594 1.00 0.00 O ATOM 876 CB GLU A 62 -1.042 6.416 -5.310 1.00 0.00 C ATOM 877 CG GLU A 62 -0.680 7.255 -6.541 1.00 0.00 C ATOM 878 CD GLU A 62 -1.792 7.141 -7.584 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.947 7.126 -7.192 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.470 7.069 -8.759 1.00 0.00 O ATOM 0 H GLU A 62 1.354 6.297 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.630 4.415 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.124 6.300 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.721 6.929 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.541 8.298 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.265 6.912 -6.963 1.00 0.00 H new ATOM 887 N ASP A 63 -0.168 4.483 -7.754 1.00 0.00 N ATOM 888 CA ASP A 63 -0.521 3.728 -8.996 1.00 0.00 C ATOM 889 C ASP A 63 -0.178 2.242 -8.835 1.00 0.00 C ATOM 890 O ASP A 63 -0.769 1.390 -9.473 1.00 0.00 O ATOM 891 CB ASP A 63 0.323 4.361 -10.112 1.00 0.00 C ATOM 892 CG ASP A 63 1.812 4.258 -9.767 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.357 3.176 -9.905 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.379 5.264 -9.375 1.00 0.00 O ATOM 0 H ASP A 63 0.609 5.137 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.587 3.783 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.125 3.858 -11.058 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.043 5.406 -10.242 1.00 0.00 H new ATOM 899 N GLU A 64 0.765 1.927 -7.982 1.00 0.00 N ATOM 900 CA GLU A 64 1.143 0.497 -7.770 1.00 0.00 C ATOM 901 C GLU A 64 0.417 -0.071 -6.546 1.00 0.00 C ATOM 902 O GLU A 64 0.888 -0.996 -5.911 1.00 0.00 O ATOM 903 CB GLU A 64 2.654 0.518 -7.533 1.00 0.00 C ATOM 904 CG GLU A 64 3.383 0.512 -8.878 1.00 0.00 C ATOM 905 CD GLU A 64 4.700 1.282 -8.748 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.727 2.252 -8.009 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.659 0.886 -9.391 1.00 0.00 O ATOM 0 H GLU A 64 1.290 2.600 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 64 0.870 -0.130 -8.619 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.931 1.404 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.952 -0.348 -6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.578 -0.513 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.757 0.968 -9.645 1.00 0.00 H new ATOM 914 N LEU A 65 -0.740 0.456 -6.233 1.00 0.00 N ATOM 915 CA LEU A 65 -1.519 -0.071 -5.073 1.00 0.00 C ATOM 916 C LEU A 65 -3.007 -0.143 -5.424 1.00 0.00 C ATOM 917 O LEU A 65 -3.611 0.843 -5.803 1.00 0.00 O ATOM 918 CB LEU A 65 -1.282 0.934 -3.946 1.00 0.00 C ATOM 919 CG LEU A 65 0.165 0.831 -3.461 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.441 1.935 -2.439 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.388 -0.535 -2.808 1.00 0.00 C ATOM 0 H LEU A 65 -1.179 1.230 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.210 -1.078 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 1.945 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.967 0.739 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 65 0.841 0.944 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.472 1.861 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.282 2.908 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.235 1.823 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.419 -0.609 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.288 -0.648 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.192 -1.322 -3.536 1.00 0.00 H new ATOM 933 N VAL A 66 -3.615 -1.287 -5.232 1.00 0.00 N ATOM 934 CA VAL A 66 -5.085 -1.411 -5.475 1.00 0.00 C ATOM 935 C VAL A 66 -5.838 -1.391 -4.141 1.00 0.00 C ATOM 936 O VAL A 66 -5.383 -1.939 -3.155 1.00 0.00 O ATOM 937 CB VAL A 66 -5.262 -2.761 -6.179 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.744 -2.990 -6.490 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.467 -2.766 -7.489 1.00 0.00 C ATOM 0 H VAL A 66 -3.156 -2.142 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.478 -0.591 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.898 -3.555 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.867 -3.951 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.315 -2.989 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.107 -2.193 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.594 -3.727 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.830 -1.969 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.410 -2.606 -7.274 1.00 0.00 H new ATOM 949 N GLU A 67 -6.990 -0.770 -4.111 1.00 0.00 N ATOM 950 CA GLU A 67 -7.786 -0.717 -2.848 1.00 0.00 C ATOM 951 C GLU A 67 -8.581 -2.013 -2.669 1.00 0.00 C ATOM 952 O GLU A 67 -9.420 -2.352 -3.483 1.00 0.00 O ATOM 953 CB GLU A 67 -8.731 0.473 -3.023 1.00 0.00 C ATOM 954 CG GLU A 67 -8.898 1.193 -1.684 1.00 0.00 C ATOM 955 CD GLU A 67 -9.689 0.306 -0.721 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.578 -0.390 -1.183 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.392 0.338 0.462 1.00 0.00 O ATOM 0 H GLU A 67 -7.414 -0.297 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.154 -0.608 -1.967 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.333 1.160 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.700 0.131 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.921 1.426 -1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.416 2.141 -1.831 1.00 0.00 H new ATOM 964 N VAL A 68 -8.342 -2.722 -1.595 1.00 0.00 N ATOM 965 CA VAL A 68 -9.101 -3.983 -1.338 1.00 0.00 C ATOM 966 C VAL A 68 -9.683 -3.971 0.080 1.00 0.00 C ATOM 967 O VAL A 68 -9.693 -4.978 0.764 1.00 0.00 O ATOM 968 CB VAL A 68 -8.077 -5.113 -1.495 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.532 -5.109 -2.924 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.919 -4.912 -0.511 1.00 0.00 C ATOM 0 H VAL A 68 -7.652 -2.481 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.940 -4.104 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.563 -6.066 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.804 -5.912 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.352 -5.260 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.052 -4.152 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.196 -5.719 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.433 -3.957 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.303 -4.916 0.509 1.00 0.00 H new ATOM 980 N GLU A 69 -10.192 -2.845 0.512 1.00 0.00 N ATOM 981 CA GLU A 69 -10.804 -2.765 1.872 1.00 0.00 C ATOM 982 C GLU A 69 -11.699 -1.528 1.978 1.00 0.00 C ATOM 983 O GLU A 69 -11.825 -0.932 3.032 1.00 0.00 O ATOM 984 CB GLU A 69 -9.619 -2.655 2.834 1.00 0.00 C ATOM 985 CG GLU A 69 -10.089 -2.954 4.259 1.00 0.00 C ATOM 986 CD GLU A 69 -10.046 -4.462 4.505 1.00 0.00 C ATOM 987 OE1 GLU A 69 -10.379 -5.201 3.594 1.00 0.00 O ATOM 988 OE2 GLU A 69 -9.680 -4.853 5.602 1.00 0.00 O ATOM 0 H GLU A 69 -10.210 -1.975 -0.021 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.430 -3.629 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.835 -3.355 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.188 -1.655 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.452 -2.439 4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.102 -2.580 4.405 1.00 0.00 H new ATOM 995 N ALA A 70 -12.341 -1.157 0.900 1.00 0.00 N ATOM 996 CA ALA A 70 -13.257 0.022 0.935 1.00 0.00 C ATOM 997 C ALA A 70 -14.639 -0.395 1.464 1.00 0.00 C ATOM 998 O ALA A 70 -14.921 -1.571 1.574 1.00 0.00 O ATOM 999 CB ALA A 70 -13.358 0.488 -0.517 1.00 0.00 C ATOM 0 H ALA A 70 -12.270 -1.621 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.890 0.811 1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -14.016 1.355 -0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.367 0.759 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -13.762 -0.317 -1.130 1.00 0.00 H new ATOM 1005 N PRO A 71 -15.467 0.584 1.778 1.00 0.00 N ATOM 1006 CA PRO A 71 -16.833 0.289 2.301 1.00 0.00 C ATOM 1007 C PRO A 71 -17.584 -0.669 1.366 1.00 0.00 C ATOM 1008 O PRO A 71 -17.123 -0.981 0.284 1.00 0.00 O ATOM 1009 CB PRO A 71 -17.512 1.657 2.323 1.00 0.00 C ATOM 1010 CG PRO A 71 -16.393 2.641 2.417 1.00 0.00 C ATOM 1011 CD PRO A 71 -15.224 2.035 1.687 1.00 0.00 C ATOM 0 HA PRO A 71 -16.814 -0.196 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -18.105 1.818 1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -18.190 1.748 3.172 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.677 3.594 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.139 2.840 3.458 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -15.183 2.369 0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.277 2.312 2.149 1.00 0.00 H new ATOM 1019 N LYS A 72 -18.746 -1.114 1.771 1.00 0.00 N ATOM 1020 CA LYS A 72 -19.547 -2.032 0.903 1.00 0.00 C ATOM 1021 C LYS A 72 -20.983 -2.140 1.427 1.00 0.00 C ATOM 1022 O LYS A 72 -21.502 -3.224 1.616 1.00 0.00 O ATOM 1023 CB LYS A 72 -18.834 -3.388 0.982 1.00 0.00 C ATOM 1024 CG LYS A 72 -18.769 -3.864 2.437 1.00 0.00 C ATOM 1025 CD LYS A 72 -18.404 -5.349 2.473 1.00 0.00 C ATOM 1026 CE LYS A 72 -17.569 -5.641 3.721 1.00 0.00 C ATOM 1027 NZ LYS A 72 -17.597 -7.123 3.865 1.00 0.00 N ATOM 0 H LYS A 72 -19.176 -0.882 2.666 1.00 0.00 H new ATOM 0 HA LYS A 72 -19.614 -1.673 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -19.363 -4.122 0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -17.827 -3.303 0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -18.029 -3.283 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.729 -3.703 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.309 -5.956 2.478 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.844 -5.618 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.549 -5.275 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.988 -5.151 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.045 -7.401 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.580 -7.442 3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.186 -7.562 3.017 1.00 0.00 H new ATOM 1041 N ALA A 73 -21.634 -1.023 1.630 1.00 0.00 N ATOM 1042 CA ALA A 73 -23.051 -1.051 2.104 1.00 0.00 C ATOM 1043 C ALA A 73 -23.999 -1.282 0.923 1.00 0.00 C ATOM 1044 O ALA A 73 -23.570 -1.466 -0.200 1.00 0.00 O ATOM 1045 CB ALA A 73 -23.289 0.326 2.722 1.00 0.00 C ATOM 0 H ALA A 73 -21.245 -0.091 1.488 1.00 0.00 H new ATOM 0 HA ALA A 73 -23.232 -1.854 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.311 0.386 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -22.592 0.480 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.133 1.096 1.966 1.00 0.00 H new ATOM 1051 N LYS A 74 -25.284 -1.251 1.171 1.00 0.00 N ATOM 1052 CA LYS A 74 -26.269 -1.444 0.065 1.00 0.00 C ATOM 1053 C LYS A 74 -27.067 -0.151 -0.168 1.00 0.00 C ATOM 1054 O LYS A 74 -28.088 0.058 0.457 1.00 0.00 O ATOM 1055 CB LYS A 74 -27.192 -2.564 0.549 1.00 0.00 C ATOM 1056 CG LYS A 74 -26.586 -3.920 0.183 1.00 0.00 C ATOM 1057 CD LYS A 74 -27.663 -5.003 0.275 1.00 0.00 C ATOM 1058 CE LYS A 74 -27.190 -6.257 -0.462 1.00 0.00 C ATOM 1059 NZ LYS A 74 -26.573 -7.111 0.591 1.00 0.00 N ATOM 0 H LYS A 74 -25.693 -1.100 2.093 1.00 0.00 H new ATOM 0 HA LYS A 74 -25.786 -1.693 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -27.330 -2.495 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -28.177 -2.460 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -26.175 -3.886 -0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -25.761 -4.155 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -27.869 -5.238 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -28.595 -4.642 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -28.022 -6.767 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -26.470 -6.009 -1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -26.224 -7.992 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -25.780 -6.602 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -27.284 -7.336 1.316 1.00 0.00 H new ATOM 1073 N PRO A 75 -26.580 0.686 -1.066 1.00 0.00 N ATOM 1074 CA PRO A 75 -27.276 1.969 -1.369 1.00 0.00 C ATOM 1075 C PRO A 75 -28.751 1.725 -1.717 1.00 0.00 C ATOM 1076 O PRO A 75 -29.107 0.700 -2.266 1.00 0.00 O ATOM 1077 CB PRO A 75 -26.523 2.510 -2.581 1.00 0.00 C ATOM 1078 CG PRO A 75 -25.169 1.884 -2.503 1.00 0.00 C ATOM 1079 CD PRO A 75 -25.355 0.531 -1.871 1.00 0.00 C ATOM 0 HA PRO A 75 -27.275 2.657 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -27.028 2.245 -3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -26.458 3.598 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -24.728 1.790 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -24.492 2.499 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -25.466 -0.250 -2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -24.501 0.258 -1.252 1.00 0.00 H new ATOM 1087 N LYS A 76 -29.608 2.674 -1.420 1.00 0.00 N ATOM 1088 CA LYS A 76 -31.066 2.527 -1.747 1.00 0.00 C ATOM 1089 C LYS A 76 -31.619 1.211 -1.187 1.00 0.00 C ATOM 1090 O LYS A 76 -30.957 0.520 -0.436 1.00 0.00 O ATOM 1091 CB LYS A 76 -31.143 2.535 -3.277 1.00 0.00 C ATOM 1092 CG LYS A 76 -31.243 3.977 -3.776 1.00 0.00 C ATOM 1093 CD LYS A 76 -29.844 4.502 -4.106 1.00 0.00 C ATOM 1094 CE LYS A 76 -29.961 5.824 -4.867 1.00 0.00 C ATOM 1095 NZ LYS A 76 -30.268 5.433 -6.271 1.00 0.00 N ATOM 0 H LYS A 76 -29.359 3.551 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 76 -31.660 3.328 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -30.261 2.054 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -32.008 1.963 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -31.878 4.024 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -31.708 4.604 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -29.273 4.647 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -29.302 3.771 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -30.749 6.451 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -29.035 6.396 -4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -29.539 5.817 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -30.283 4.396 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -31.197 5.813 -6.542 1.00 0.00 H new ATOM 1109 N LYS A 77 -32.818 0.851 -1.570 1.00 0.00 N ATOM 1110 CA LYS A 77 -33.411 -0.432 -1.090 1.00 0.00 C ATOM 1111 C LYS A 77 -33.542 -1.422 -2.251 1.00 0.00 C ATOM 1112 O LYS A 77 -32.974 -2.497 -2.155 1.00 0.00 O ATOM 1113 CB LYS A 77 -34.791 -0.054 -0.550 1.00 0.00 C ATOM 1114 CG LYS A 77 -34.663 0.400 0.905 1.00 0.00 C ATOM 1115 CD LYS A 77 -36.056 0.634 1.492 1.00 0.00 C ATOM 1116 CE LYS A 77 -36.628 1.944 0.945 1.00 0.00 C ATOM 1117 NZ LYS A 77 -36.243 2.978 1.944 1.00 0.00 N ATOM 1118 OXT LYS A 77 -34.208 -1.086 -3.217 1.00 0.00 O ATOM 0 H LYS A 77 -33.413 1.393 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 77 -32.794 -0.913 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -35.224 0.743 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -35.466 -0.907 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -34.134 -0.354 1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -34.075 1.316 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -36.714 -0.197 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -36.001 0.675 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -36.218 2.173 -0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -37.711 1.886 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -36.600 3.906 1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -36.653 2.737 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -35.207 3.015 2.023 1.00 0.00 H new TER 1132 LYS A 77