USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot -53:sc= 0.28 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.37 K(o=0.65,f=-3.3!) USER MOD Set 2.1: A 2 GLN : amide:sc= 0.747 K(o=1.4,f=0.76) USER MOD Set 2.2: A 14 THR OG1 : rot 147:sc= 0.681 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 136:sc= 1.2 (180deg=-0.128) USER MOD Set 3.2: A 12 THR OG1 : rot 148:sc= 1.06 USER MOD Set 4.1: A 7 THR OG1 : rot 116:sc= 1.11 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.42 USER MOD Single : A 1 MET CE :methyl -175:sc= -0.0184 (180deg=-0.0706) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0.801 (180deg=-0.386!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 2.88 (180deg=1.69) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.19 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.0346 K(o=-0.035,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.449 K(o=-0.45,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 0.231 K(o=0.23,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 55 THR OG1 : rot -40:sc= 0.773 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -96:sc= 1.05 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.427 -4.587 -4.219 1.00 0.78 N ATOM 2 CA MET A 1 12.352 -5.270 -2.909 1.00 0.70 C ATOM 3 C MET A 1 10.962 -5.731 -2.636 1.00 0.62 C ATOM 4 O MET A 1 9.962 -5.210 -3.128 1.00 0.68 O ATOM 5 CB MET A 1 12.843 -4.236 -1.881 1.00 0.75 C ATOM 6 CG MET A 1 12.030 -2.959 -1.652 1.00 0.79 C ATOM 7 SD MET A 1 12.715 -1.943 -0.309 1.00 1.10 S ATOM 8 CE MET A 1 11.284 -0.846 -0.525 1.00 0.84 C ATOM 0 H1 MET A 1 13.403 -4.273 -4.391 1.00 0.78 H new ATOM 0 H2 MET A 1 12.137 -5.245 -4.971 1.00 0.78 H new ATOM 0 H3 MET A 1 11.793 -3.762 -4.217 1.00 0.78 H new ATOM 0 HA MET A 1 12.967 -6.169 -2.872 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.930 -4.745 -0.921 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.849 -3.935 -2.174 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.007 -2.375 -2.572 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.999 -3.224 -1.416 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.391 0.024 0.123 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.229 -0.520 -1.564 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.372 -1.382 -0.264 1.00 0.84 H new ATOM 20 N GLN A 2 10.790 -6.795 -1.832 1.00 0.59 N ATOM 21 CA GLN A 2 9.535 -7.406 -1.518 1.00 0.56 C ATOM 22 C GLN A 2 8.899 -6.689 -0.377 1.00 0.50 C ATOM 23 O GLN A 2 9.538 -6.537 0.664 1.00 0.60 O ATOM 24 CB GLN A 2 9.753 -8.910 -1.286 1.00 0.71 C ATOM 25 CG GLN A 2 8.412 -9.556 -0.929 1.00 1.15 C ATOM 26 CD GLN A 2 8.597 -11.054 -0.734 1.00 1.30 C ATOM 27 OE1 GLN A 2 7.775 -11.787 -1.282 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.412 -11.585 0.217 1.00 1.72 N ATOM 0 H GLN A 2 11.575 -7.257 -1.373 1.00 0.59 H new ATOM 0 HA GLN A 2 8.831 -7.323 -2.346 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.168 -9.373 -2.181 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.473 -9.067 -0.483 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.013 -9.108 -0.019 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.686 -9.370 -1.721 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.101 -10.996 0.685 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.334 -12.572 0.462 1.00 1.72 H new ATOM 37 N ILE A 3 7.680 -6.165 -0.595 1.00 0.44 N ATOM 38 CA ILE A 3 6.885 -5.681 0.491 1.00 0.42 C ATOM 39 C ILE A 3 5.628 -6.481 0.529 1.00 0.40 C ATOM 40 O ILE A 3 5.201 -7.181 -0.388 1.00 0.50 O ATOM 41 CB ILE A 3 6.687 -4.195 0.442 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.944 -3.712 -0.815 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.996 -3.422 0.671 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.265 -2.355 -0.634 1.00 0.72 C ATOM 0 H ILE A 3 7.247 -6.077 -1.514 1.00 0.44 H new ATOM 0 HA ILE A 3 7.404 -5.824 1.439 1.00 0.42 H new ATOM 0 HB ILE A 3 6.028 -3.966 1.279 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.649 -3.649 -1.644 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.193 -4.452 -1.091 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.799 -2.351 0.626 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.402 -3.675 1.651 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.717 -3.691 -0.101 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.760 -2.075 -1.558 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.535 -2.418 0.173 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.015 -1.603 -0.388 1.00 0.72 H new ATOM 56 N PHE A 4 4.902 -6.215 1.630 1.00 0.37 N ATOM 57 CA PHE A 4 3.655 -6.871 1.869 1.00 0.38 C ATOM 58 C PHE A 4 2.571 -5.900 2.188 1.00 0.39 C ATOM 59 O PHE A 4 2.673 -5.048 3.070 1.00 0.60 O ATOM 60 CB PHE A 4 3.838 -7.949 2.953 1.00 0.45 C ATOM 61 CG PHE A 4 4.957 -8.902 2.712 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.809 -9.808 1.688 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.020 -9.013 3.576 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.756 -10.779 1.467 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.030 -9.887 3.252 1.00 1.40 C ATOM 66 CZ PHE A 4 6.852 -10.857 2.295 1.00 0.85 C ATOM 0 H PHE A 4 5.177 -5.549 2.351 1.00 0.37 H new ATOM 0 HA PHE A 4 3.334 -7.371 0.955 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.001 -7.455 3.911 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.911 -8.516 3.041 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.939 -9.756 1.050 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.061 -8.430 4.484 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.641 -11.475 0.650 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.981 -9.810 3.759 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.560 -11.666 2.195 1.00 0.85 H new ATOM 76 N VAL A 5 1.461 -6.083 1.452 1.00 0.35 N ATOM 77 CA VAL A 5 0.265 -5.380 1.799 1.00 0.35 C ATOM 78 C VAL A 5 -0.704 -6.389 2.309 1.00 0.35 C ATOM 79 O VAL A 5 -1.133 -7.309 1.613 1.00 0.46 O ATOM 80 CB VAL A 5 -0.254 -4.573 0.645 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.536 -3.812 1.021 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.818 -3.597 0.132 1.00 0.56 C ATOM 0 H VAL A 5 1.389 -6.698 0.641 1.00 0.35 H new ATOM 0 HA VAL A 5 0.452 -4.643 2.580 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.500 -5.270 -0.156 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.884 -3.238 0.162 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.307 -4.523 1.319 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.327 -3.135 1.849 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.418 -3.024 -0.704 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.105 -2.917 0.934 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.693 -4.158 -0.198 1.00 0.56 H new ATOM 92 N LYS A 6 -1.040 -6.225 3.600 1.00 0.36 N ATOM 93 CA LYS A 6 -2.032 -7.050 4.218 1.00 0.39 C ATOM 94 C LYS A 6 -3.323 -6.307 4.191 1.00 0.46 C ATOM 95 O LYS A 6 -3.475 -5.139 4.546 1.00 0.53 O ATOM 96 CB LYS A 6 -1.561 -7.517 5.605 1.00 0.54 C ATOM 97 CG LYS A 6 -0.212 -8.237 5.606 1.00 1.22 C ATOM 98 CD LYS A 6 -0.151 -9.017 6.922 1.00 1.37 C ATOM 99 CE LYS A 6 1.256 -9.549 7.200 1.00 1.93 C ATOM 100 NZ LYS A 6 1.473 -10.849 6.524 1.00 2.09 N ATOM 0 H LYS A 6 -0.627 -5.524 4.215 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.193 -7.980 3.673 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.497 -6.651 6.264 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.315 -8.183 6.026 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.127 -8.907 4.751 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.610 -7.525 5.536 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.465 -8.372 7.742 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.854 -9.849 6.885 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.997 -8.827 6.855 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.400 -9.665 8.274 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 2.411 -10.854 6.074 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 1.420 -11.617 7.223 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.741 -10.990 5.799 1.00 2.09 H new ATOM 114 N THR A 7 -4.396 -7.076 3.933 1.00 0.58 N ATOM 115 CA THR A 7 -5.735 -6.578 3.863 1.00 0.78 C ATOM 116 C THR A 7 -6.405 -6.420 5.184 1.00 0.94 C ATOM 117 O THR A 7 -5.882 -6.754 6.246 1.00 0.99 O ATOM 118 CB THR A 7 -6.664 -7.299 2.932 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.939 -8.632 3.334 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.844 -7.324 1.631 1.00 0.92 C ATOM 0 H THR A 7 -4.329 -8.080 3.767 1.00 0.58 H new ATOM 0 HA THR A 7 -5.554 -5.593 3.434 1.00 0.78 H new ATOM 0 HB THR A 7 -7.639 -6.816 2.873 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.892 -8.720 3.543 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.413 -7.831 0.852 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.629 -6.303 1.317 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.908 -7.856 1.801 1.00 0.92 H new ATOM 128 N LEU A 8 -7.657 -5.935 5.266 1.00 1.17 N ATOM 129 CA LEU A 8 -8.507 -5.959 6.415 1.00 1.39 C ATOM 130 C LEU A 8 -8.674 -7.332 6.970 1.00 1.44 C ATOM 131 O LEU A 8 -8.622 -7.563 8.177 1.00 1.60 O ATOM 132 CB LEU A 8 -9.892 -5.350 6.138 1.00 1.66 C ATOM 133 CG LEU A 8 -10.852 -5.111 7.316 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.333 -4.194 8.434 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.220 -4.643 6.791 1.00 2.43 C ATOM 0 H LEU A 8 -8.108 -5.492 4.466 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.000 -5.342 7.157 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.737 -4.392 5.641 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.401 -6.000 5.426 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.946 -6.079 7.808 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.094 -4.099 9.209 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.428 -4.622 8.865 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.109 -3.210 8.023 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.894 -4.476 7.631 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -12.098 -3.714 6.234 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.639 -5.407 6.136 1.00 2.43 H new ATOM 147 N THR A 9 -8.952 -8.374 6.166 1.00 1.41 N ATOM 148 CA THR A 9 -9.179 -9.749 6.487 1.00 1.51 C ATOM 149 C THR A 9 -7.918 -10.425 6.902 1.00 1.37 C ATOM 150 O THR A 9 -8.011 -11.514 7.467 1.00 1.62 O ATOM 151 CB THR A 9 -9.838 -10.516 5.380 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.258 -10.138 4.140 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.269 -9.959 5.287 1.00 2.08 C ATOM 0 H THR A 9 -9.026 -8.227 5.159 1.00 1.41 H new ATOM 0 HA THR A 9 -9.874 -9.744 7.327 1.00 1.51 H new ATOM 0 HB THR A 9 -9.761 -11.588 5.564 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.685 -10.638 3.413 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.810 -10.476 4.495 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.782 -10.112 6.237 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.231 -8.893 5.064 1.00 2.08 H new ATOM 161 N GLY A 10 -6.779 -9.910 6.405 1.00 1.18 N ATOM 162 CA GLY A 10 -5.455 -10.405 6.624 1.00 1.22 C ATOM 163 C GLY A 10 -4.920 -11.117 5.430 1.00 0.99 C ATOM 164 O GLY A 10 -4.108 -12.028 5.584 1.00 1.31 O ATOM 0 H GLY A 10 -6.786 -9.085 5.805 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -4.795 -9.575 6.877 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -5.458 -11.082 7.478 1.00 1.22 H new ATOM 168 N LYS A 11 -5.303 -10.868 4.165 1.00 0.73 N ATOM 169 CA LYS A 11 -4.695 -11.536 3.057 1.00 0.60 C ATOM 170 C LYS A 11 -3.437 -10.819 2.709 1.00 0.51 C ATOM 171 O LYS A 11 -3.411 -9.595 2.593 1.00 0.63 O ATOM 172 CB LYS A 11 -5.490 -11.627 1.743 1.00 0.75 C ATOM 173 CG LYS A 11 -4.998 -12.664 0.731 1.00 0.87 C ATOM 174 CD LYS A 11 -5.623 -12.736 -0.664 1.00 1.04 C ATOM 175 CE LYS A 11 -5.174 -11.613 -1.601 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.678 -12.051 -2.923 1.00 1.40 N ATOM 0 H LYS A 11 -6.034 -10.204 3.910 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.583 -12.559 3.417 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.529 -11.850 1.985 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.477 -10.647 1.265 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.928 -12.503 0.598 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.118 -13.645 1.190 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.371 -13.696 -1.116 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.708 -12.704 -0.568 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.596 -10.652 -1.308 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.090 -11.499 -1.601 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.881 -12.371 -3.510 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.351 -12.834 -2.796 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.157 -11.256 -3.393 1.00 1.40 H new ATOM 190 N THR A 12 -2.331 -11.579 2.615 1.00 0.49 N ATOM 191 CA THR A 12 -1.063 -10.970 2.362 1.00 0.48 C ATOM 192 C THR A 12 -0.723 -11.084 0.916 1.00 0.52 C ATOM 193 O THR A 12 -0.581 -12.104 0.244 1.00 0.72 O ATOM 194 CB THR A 12 0.035 -11.661 3.117 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.145 -11.667 4.524 1.00 0.77 O ATOM 196 CG2 THR A 12 1.390 -10.958 2.926 1.00 0.78 C ATOM 0 H THR A 12 -2.313 -12.594 2.712 1.00 0.49 H new ATOM 0 HA THR A 12 -1.141 -9.929 2.676 1.00 0.48 H new ATOM 0 HB THR A 12 0.010 -12.673 2.713 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.240 -12.486 4.900 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.158 -11.489 3.489 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.652 -10.955 1.868 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.321 -9.931 3.286 1.00 0.78 H new ATOM 204 N ILE A 13 -0.709 -9.876 0.325 1.00 0.48 N ATOM 205 CA ILE A 13 -0.355 -9.561 -1.024 1.00 0.55 C ATOM 206 C ILE A 13 1.097 -9.231 -1.080 1.00 0.51 C ATOM 207 O ILE A 13 1.513 -8.385 -0.289 1.00 0.56 O ATOM 208 CB ILE A 13 -1.145 -8.425 -1.603 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.616 -8.395 -1.155 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.935 -8.473 -3.126 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.058 -6.939 -1.297 1.00 1.55 C ATOM 0 H ILE A 13 -0.972 -9.039 0.846 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.587 -10.440 -1.626 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.782 -7.473 -1.216 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.228 -9.053 -1.773 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.719 -8.738 -0.125 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.492 -7.663 -3.596 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.126 -8.362 -3.351 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.290 -9.429 -3.512 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.101 -6.844 -0.994 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.437 -6.307 -0.663 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.953 -6.626 -2.336 1.00 1.55 H new ATOM 223 N THR A 14 1.898 -9.872 -1.949 1.00 0.55 N ATOM 224 CA THR A 14 3.266 -9.528 -2.179 1.00 0.54 C ATOM 225 C THR A 14 3.412 -8.691 -3.403 1.00 0.55 C ATOM 226 O THR A 14 2.742 -8.915 -4.409 1.00 0.72 O ATOM 227 CB THR A 14 4.204 -10.698 -2.228 1.00 0.67 C ATOM 228 OG1 THR A 14 5.594 -10.441 -2.359 1.00 1.08 O ATOM 229 CG2 THR A 14 3.895 -11.788 -3.267 1.00 1.03 C ATOM 0 H THR A 14 1.580 -10.660 -2.513 1.00 0.55 H new ATOM 0 HA THR A 14 3.561 -8.949 -1.304 1.00 0.54 H new ATOM 0 HB THR A 14 3.994 -11.044 -1.216 1.00 0.67 H new ATOM 0 HG1 THR A 14 6.100 -11.126 -1.874 1.00 1.08 H new ATOM 0 HG21 THR A 14 4.645 -12.576 -3.201 1.00 1.03 H new ATOM 0 HG22 THR A 14 2.908 -12.208 -3.071 1.00 1.03 H new ATOM 0 HG23 THR A 14 3.912 -11.353 -4.266 1.00 1.03 H new ATOM 237 N LEU A 15 4.330 -7.708 -3.405 1.00 0.50 N ATOM 238 CA LEU A 15 4.619 -6.759 -4.436 1.00 0.55 C ATOM 239 C LEU A 15 6.099 -6.631 -4.563 1.00 0.52 C ATOM 240 O LEU A 15 6.852 -6.865 -3.620 1.00 0.58 O ATOM 241 CB LEU A 15 4.017 -5.370 -4.167 1.00 0.69 C ATOM 242 CG LEU A 15 2.512 -5.361 -3.850 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.096 -3.943 -3.421 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.544 -5.783 -4.967 1.00 1.55 C ATOM 0 H LEU A 15 4.934 -7.565 -2.595 1.00 0.50 H new ATOM 0 HA LEU A 15 4.166 -7.129 -5.356 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.551 -4.915 -3.333 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.193 -4.740 -5.039 1.00 0.69 H new ATOM 0 HG LEU A 15 2.419 -6.121 -3.074 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.030 -3.929 -3.195 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.659 -3.651 -2.534 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.304 -3.242 -4.230 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.519 -5.728 -4.600 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.660 -5.115 -5.821 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.765 -6.805 -5.273 1.00 1.55 H new ATOM 256 N GLU A 16 6.587 -6.163 -5.726 1.00 0.59 N ATOM 257 CA GLU A 16 7.927 -5.711 -5.931 1.00 0.63 C ATOM 258 C GLU A 16 7.883 -4.237 -6.148 1.00 0.65 C ATOM 259 O GLU A 16 7.134 -3.732 -6.983 1.00 0.81 O ATOM 260 CB GLU A 16 8.558 -6.374 -7.168 1.00 0.76 C ATOM 261 CG GLU A 16 8.806 -7.874 -6.996 1.00 1.41 C ATOM 262 CD GLU A 16 9.699 -8.396 -8.113 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.949 -8.266 -8.025 1.00 1.92 O ATOM 264 OE2 GLU A 16 9.153 -8.735 -9.197 1.00 1.95 O ATOM 0 H GLU A 16 6.015 -6.097 -6.568 1.00 0.59 H new ATOM 0 HA GLU A 16 8.529 -5.972 -5.060 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.905 -6.218 -8.027 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.504 -5.881 -7.392 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.273 -8.063 -6.030 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.856 -8.409 -7.001 1.00 1.41 H new ATOM 271 N VAL A 17 8.597 -3.510 -5.270 1.00 0.61 N ATOM 272 CA VAL A 17 8.600 -2.084 -5.173 1.00 0.63 C ATOM 273 C VAL A 17 10.025 -1.657 -5.262 1.00 0.65 C ATOM 274 O VAL A 17 11.008 -2.314 -4.923 1.00 0.76 O ATOM 275 CB VAL A 17 8.063 -1.530 -3.887 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.527 -1.557 -3.813 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.733 -2.180 -2.664 1.00 0.92 C ATOM 0 H VAL A 17 9.212 -3.948 -4.584 1.00 0.61 H new ATOM 0 HA VAL A 17 7.952 -1.712 -5.967 1.00 0.63 H new ATOM 0 HB VAL A 17 8.331 -0.474 -3.868 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.201 -1.143 -2.859 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.113 -0.962 -4.627 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.177 -2.585 -3.901 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.318 -1.753 -1.751 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.550 -3.255 -2.677 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.807 -1.994 -2.696 1.00 0.92 H new ATOM 287 N GLU A 18 10.261 -0.382 -5.620 1.00 0.68 N ATOM 288 CA GLU A 18 11.514 0.290 -5.472 1.00 0.74 C ATOM 289 C GLU A 18 11.354 1.349 -4.438 1.00 0.71 C ATOM 290 O GLU A 18 10.244 1.862 -4.299 1.00 0.74 O ATOM 291 CB GLU A 18 12.030 0.914 -6.780 1.00 0.88 C ATOM 292 CG GLU A 18 12.543 -0.072 -7.831 1.00 1.16 C ATOM 293 CD GLU A 18 13.578 -1.022 -7.247 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.718 -0.589 -6.927 1.00 2.35 O ATOM 295 OE2 GLU A 18 13.334 -2.257 -7.209 1.00 2.33 O ATOM 0 H GLU A 18 9.541 0.210 -6.034 1.00 0.68 H new ATOM 0 HA GLU A 18 12.257 -0.451 -5.175 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.225 1.501 -7.222 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.835 1.608 -6.537 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.707 -0.645 -8.232 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.981 0.478 -8.664 1.00 1.16 H new ATOM 302 N PRO A 19 12.236 1.818 -3.607 1.00 0.74 N ATOM 303 CA PRO A 19 11.924 2.750 -2.563 1.00 0.74 C ATOM 304 C PRO A 19 11.627 4.141 -3.007 1.00 0.70 C ATOM 305 O PRO A 19 11.290 5.042 -2.240 1.00 0.74 O ATOM 306 CB PRO A 19 13.117 2.799 -1.610 1.00 0.86 C ATOM 307 CG PRO A 19 14.283 2.143 -2.367 1.00 0.95 C ATOM 308 CD PRO A 19 13.644 1.450 -3.581 1.00 0.82 C ATOM 0 HA PRO A 19 11.006 2.387 -2.101 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.357 3.826 -1.336 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.901 2.265 -0.685 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.016 2.887 -2.680 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.807 1.425 -1.736 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.138 1.759 -4.502 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.756 0.368 -3.507 1.00 0.82 H new ATOM 316 N SER A 20 11.906 4.316 -4.311 1.00 0.70 N ATOM 317 CA SER A 20 11.712 5.494 -5.098 1.00 0.74 C ATOM 318 C SER A 20 10.353 5.521 -5.709 1.00 0.71 C ATOM 319 O SER A 20 9.972 6.420 -6.457 1.00 0.80 O ATOM 320 CB SER A 20 12.828 5.707 -6.134 1.00 0.89 C ATOM 321 OG SER A 20 12.839 4.662 -7.095 1.00 1.45 O ATOM 0 H SER A 20 12.306 3.559 -4.865 1.00 0.70 H new ATOM 0 HA SER A 20 11.776 6.344 -4.419 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.686 6.665 -6.635 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.793 5.752 -5.630 1.00 0.89 H new ATOM 0 HG SER A 20 13.556 4.821 -7.743 1.00 1.45 H new ATOM 327 N ASP A 21 9.518 4.514 -5.397 1.00 0.70 N ATOM 328 CA ASP A 21 8.153 4.553 -5.822 1.00 0.73 C ATOM 329 C ASP A 21 7.233 5.422 -5.036 1.00 0.64 C ATOM 330 O ASP A 21 7.442 5.601 -3.838 1.00 0.66 O ATOM 331 CB ASP A 21 7.642 3.104 -5.759 1.00 0.87 C ATOM 332 CG ASP A 21 8.203 2.247 -6.886 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.471 2.846 -7.962 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.269 0.993 -6.782 1.00 1.69 O ATOM 0 H ASP A 21 9.781 3.687 -4.861 1.00 0.70 H new ATOM 0 HA ASP A 21 8.148 4.997 -6.817 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.917 2.665 -4.800 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.553 3.102 -5.811 1.00 0.87 H new ATOM 339 N THR A 22 6.096 5.855 -5.613 1.00 0.63 N ATOM 340 CA THR A 22 5.059 6.510 -4.879 1.00 0.58 C ATOM 341 C THR A 22 4.012 5.528 -4.481 1.00 0.53 C ATOM 342 O THR A 22 3.798 4.442 -5.017 1.00 0.58 O ATOM 343 CB THR A 22 4.584 7.723 -5.624 1.00 0.63 C ATOM 344 OG1 THR A 22 3.991 7.455 -6.886 1.00 0.70 O ATOM 345 CG2 THR A 22 5.741 8.718 -5.817 1.00 0.75 C ATOM 0 H THR A 22 5.894 5.748 -6.607 1.00 0.63 H new ATOM 0 HA THR A 22 5.433 6.903 -3.934 1.00 0.58 H new ATOM 0 HB THR A 22 3.798 8.146 -4.999 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.605 6.916 -7.428 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.382 9.593 -6.359 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.123 9.026 -4.843 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.540 8.242 -6.386 1.00 0.75 H new ATOM 353 N ILE A 23 3.209 5.886 -3.464 1.00 0.51 N ATOM 354 CA ILE A 23 1.993 5.211 -3.134 1.00 0.48 C ATOM 355 C ILE A 23 1.007 5.083 -4.244 1.00 0.48 C ATOM 356 O ILE A 23 0.404 4.046 -4.512 1.00 0.51 O ATOM 357 CB ILE A 23 1.413 5.804 -1.884 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.465 5.942 -0.770 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.078 5.148 -1.495 1.00 0.61 C ATOM 360 CD1 ILE A 23 2.921 4.554 -0.323 1.00 0.73 C ATOM 0 H ILE A 23 3.414 6.674 -2.849 1.00 0.51 H new ATOM 0 HA ILE A 23 2.256 4.170 -2.944 1.00 0.48 H new ATOM 0 HB ILE A 23 1.128 6.836 -2.087 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.318 6.518 -1.130 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.046 6.488 0.075 1.00 0.60 H new ATOM 0 HG21 ILE A 23 -0.303 5.610 -0.584 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.643 5.285 -2.301 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.232 4.083 -1.324 1.00 0.61 H new ATOM 0 HD11 ILE A 23 3.666 4.653 0.466 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.065 3.994 0.054 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.357 4.024 -1.170 1.00 0.73 H new ATOM 372 N GLU A 24 1.016 6.099 -5.126 1.00 0.50 N ATOM 373 CA GLU A 24 0.448 5.952 -6.429 1.00 0.53 C ATOM 374 C GLU A 24 0.893 4.773 -7.224 1.00 0.50 C ATOM 375 O GLU A 24 0.092 3.916 -7.597 1.00 0.55 O ATOM 376 CB GLU A 24 0.571 7.156 -7.377 1.00 0.64 C ATOM 377 CG GLU A 24 -0.414 7.105 -8.547 1.00 0.95 C ATOM 378 CD GLU A 24 -0.333 8.296 -9.490 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.713 8.993 -9.403 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.222 8.540 -10.349 1.00 1.62 O ATOM 0 H GLU A 24 1.415 7.019 -4.937 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.587 5.826 -6.111 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.407 8.073 -6.812 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.588 7.200 -7.768 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.235 6.193 -9.117 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.427 7.040 -8.150 1.00 0.95 H new ATOM 387 N ASN A 25 2.204 4.667 -7.506 1.00 0.51 N ATOM 388 CA ASN A 25 2.735 3.513 -8.161 1.00 0.52 C ATOM 389 C ASN A 25 2.455 2.180 -7.555 1.00 0.47 C ATOM 390 O ASN A 25 2.232 1.211 -8.278 1.00 0.53 O ATOM 391 CB ASN A 25 4.262 3.657 -8.277 1.00 0.64 C ATOM 392 CG ASN A 25 4.781 4.721 -9.234 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.489 5.639 -8.825 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.528 4.486 -10.549 1.00 1.57 N ATOM 0 H ASN A 25 2.896 5.381 -7.280 1.00 0.51 H new ATOM 0 HA ASN A 25 2.210 3.505 -9.116 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.659 3.870 -7.285 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.671 2.695 -8.585 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.936 5.090 -11.263 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.931 3.706 -10.822 1.00 1.57 H new ATOM 401 N VAL A 26 2.444 2.060 -6.215 1.00 0.45 N ATOM 402 CA VAL A 26 1.959 0.948 -5.457 1.00 0.44 C ATOM 403 C VAL A 26 0.540 0.575 -5.719 1.00 0.40 C ATOM 404 O VAL A 26 0.211 -0.609 -5.777 1.00 0.44 O ATOM 405 CB VAL A 26 2.162 1.199 -3.992 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.761 0.025 -3.082 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.686 1.330 -3.835 1.00 0.62 C ATOM 0 H VAL A 26 2.804 2.802 -5.615 1.00 0.45 H new ATOM 0 HA VAL A 26 2.547 0.093 -5.791 1.00 0.44 H new ATOM 0 HB VAL A 26 1.557 2.059 -3.704 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.941 0.294 -2.041 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.703 -0.199 -3.221 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.354 -0.853 -3.338 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.929 1.516 -2.789 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.166 0.407 -4.161 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.045 2.160 -4.444 1.00 0.62 H new ATOM 417 N LYS A 27 -0.371 1.557 -5.839 1.00 0.40 N ATOM 418 CA LYS A 27 -1.724 1.262 -6.197 1.00 0.41 C ATOM 419 C LYS A 27 -1.930 0.781 -7.592 1.00 0.38 C ATOM 420 O LYS A 27 -2.792 -0.056 -7.859 1.00 0.42 O ATOM 421 CB LYS A 27 -2.571 2.531 -5.998 1.00 0.51 C ATOM 422 CG LYS A 27 -2.601 2.940 -4.524 1.00 0.76 C ATOM 423 CD LYS A 27 -3.330 4.285 -4.462 1.00 0.82 C ATOM 424 CE LYS A 27 -3.857 4.746 -3.101 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.982 5.690 -3.280 1.00 1.11 N ATOM 0 H LYS A 27 -0.174 2.547 -5.690 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.023 0.438 -5.549 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.162 3.344 -6.597 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.587 2.355 -6.352 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.117 2.191 -3.924 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.591 3.027 -4.125 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.652 5.052 -4.836 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.173 4.242 -5.151 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -4.185 3.884 -2.519 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.057 5.225 -2.537 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.561 5.708 -2.416 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.609 6.643 -3.467 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.568 5.384 -4.083 1.00 1.11 H new ATOM 439 N ALA A 28 -0.998 1.132 -8.496 1.00 0.39 N ATOM 440 CA ALA A 28 -0.916 0.513 -9.783 1.00 0.39 C ATOM 441 C ALA A 28 -0.600 -0.940 -9.708 1.00 0.36 C ATOM 442 O ALA A 28 -1.205 -1.680 -10.483 1.00 0.42 O ATOM 443 CB ALA A 28 0.083 1.181 -10.742 1.00 0.51 C ATOM 0 H ALA A 28 -0.294 1.852 -8.333 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.918 0.648 -10.189 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.084 0.651 -11.694 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.207 2.219 -10.905 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.082 1.148 -10.308 1.00 0.51 H new ATOM 449 N LYS A 29 0.255 -1.271 -8.722 1.00 0.39 N ATOM 450 CA LYS A 29 0.729 -2.589 -8.436 1.00 0.43 C ATOM 451 C LYS A 29 -0.283 -3.547 -7.910 1.00 0.44 C ATOM 452 O LYS A 29 -0.347 -4.702 -8.328 1.00 0.54 O ATOM 453 CB LYS A 29 1.964 -2.605 -7.519 1.00 0.54 C ATOM 454 CG LYS A 29 3.238 -2.085 -8.187 1.00 0.65 C ATOM 455 CD LYS A 29 4.357 -1.723 -7.208 1.00 1.08 C ATOM 456 CE LYS A 29 5.575 -1.096 -7.892 1.00 1.24 C ATOM 457 NZ LYS A 29 6.203 -2.066 -8.817 1.00 1.44 N ATOM 0 H LYS A 29 0.638 -0.572 -8.085 1.00 0.39 H new ATOM 0 HA LYS A 29 1.005 -2.945 -9.429 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.756 -2.001 -6.635 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.136 -3.625 -7.175 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.607 -2.842 -8.879 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.990 -1.205 -8.780 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.969 -1.029 -6.463 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.670 -2.621 -6.675 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.273 -0.204 -8.440 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.299 -0.779 -7.141 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.057 -1.644 -9.235 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.462 -2.927 -8.294 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.532 -2.310 -9.573 1.00 1.44 H new ATOM 471 N ILE A 30 -1.221 -3.031 -7.096 1.00 0.41 N ATOM 472 CA ILE A 30 -2.403 -3.654 -6.589 1.00 0.44 C ATOM 473 C ILE A 30 -3.529 -3.677 -7.565 1.00 0.45 C ATOM 474 O ILE A 30 -4.397 -4.547 -7.552 1.00 0.56 O ATOM 475 CB ILE A 30 -2.840 -3.015 -5.304 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.754 -3.270 -4.245 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.215 -3.482 -4.796 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.104 -2.833 -2.823 1.00 1.32 C ATOM 0 H ILE A 30 -1.139 -2.072 -6.758 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.133 -4.693 -6.401 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.963 -1.949 -5.497 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.527 -4.336 -4.233 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.844 -2.753 -4.551 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.451 -2.970 -3.863 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.976 -3.249 -5.541 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.193 -4.558 -4.624 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.271 -3.058 -2.158 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.299 -1.761 -2.810 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.992 -3.368 -2.486 1.00 1.32 H new ATOM 490 N GLN A 31 -3.700 -2.693 -8.467 1.00 0.41 N ATOM 491 CA GLN A 31 -4.582 -2.769 -9.590 1.00 0.48 C ATOM 492 C GLN A 31 -4.227 -3.833 -10.570 1.00 0.52 C ATOM 493 O GLN A 31 -5.043 -4.681 -10.930 1.00 0.66 O ATOM 494 CB GLN A 31 -4.790 -1.403 -10.266 1.00 0.52 C ATOM 495 CG GLN A 31 -5.610 -1.404 -11.558 1.00 0.70 C ATOM 496 CD GLN A 31 -7.114 -1.363 -11.324 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.794 -2.180 -10.705 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.672 -0.179 -11.693 1.00 1.43 N ATOM 0 H GLN A 31 -3.201 -1.805 -8.410 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.543 -3.072 -9.174 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.277 -0.739 -9.552 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.811 -0.976 -10.482 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.321 -0.544 -12.163 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -5.364 -2.296 -12.134 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.119 0.507 -12.207 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -8.643 0.023 -11.456 1.00 1.43 H new ATOM 507 N ASP A 32 -2.952 -3.834 -11.001 1.00 0.50 N ATOM 508 CA ASP A 32 -2.357 -4.890 -11.760 1.00 0.60 C ATOM 509 C ASP A 32 -2.487 -6.263 -11.197 1.00 0.65 C ATOM 510 O ASP A 32 -2.768 -7.230 -11.904 1.00 0.81 O ATOM 511 CB ASP A 32 -0.880 -4.485 -11.899 1.00 0.67 C ATOM 512 CG ASP A 32 -0.156 -5.340 -12.929 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.657 -5.380 -14.084 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.985 -5.785 -12.631 1.00 1.51 O ATOM 0 H ASP A 32 -2.309 -3.065 -10.812 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.887 -4.983 -12.708 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.816 -3.436 -12.187 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.384 -4.581 -10.933 1.00 0.67 H new ATOM 519 N LYS A 33 -2.272 -6.431 -9.880 1.00 0.62 N ATOM 520 CA LYS A 33 -2.314 -7.684 -9.191 1.00 0.73 C ATOM 521 C LYS A 33 -3.681 -8.095 -8.767 1.00 0.69 C ATOM 522 O LYS A 33 -4.153 -9.136 -9.222 1.00 0.83 O ATOM 523 CB LYS A 33 -1.423 -7.423 -7.966 1.00 0.85 C ATOM 524 CG LYS A 33 -1.172 -8.716 -7.187 1.00 1.31 C ATOM 525 CD LYS A 33 -0.058 -9.558 -7.814 1.00 1.71 C ATOM 526 CE LYS A 33 1.357 -8.983 -7.734 1.00 2.26 C ATOM 527 NZ LYS A 33 2.282 -10.098 -8.040 1.00 2.62 N ATOM 0 H LYS A 33 -2.057 -5.649 -9.262 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.985 -8.504 -9.830 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.472 -6.997 -8.287 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.898 -6.688 -7.316 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.907 -8.473 -6.158 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.091 -9.301 -7.150 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.057 -10.536 -7.333 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.302 -9.720 -8.864 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.485 -8.167 -8.445 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.555 -8.576 -6.742 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.263 -9.756 -7.998 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 2.150 -10.859 -7.344 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 2.083 -10.463 -8.993 1.00 2.62 H new ATOM 541 N GLU A 34 -4.391 -7.383 -7.874 1.00 0.63 N ATOM 542 CA GLU A 34 -5.654 -7.785 -7.337 1.00 0.67 C ATOM 543 C GLU A 34 -6.856 -7.211 -8.004 1.00 0.69 C ATOM 544 O GLU A 34 -7.878 -7.842 -8.272 1.00 0.95 O ATOM 545 CB GLU A 34 -5.683 -7.236 -5.901 1.00 0.73 C ATOM 546 CG GLU A 34 -4.667 -7.883 -4.957 1.00 0.83 C ATOM 547 CD GLU A 34 -5.066 -9.285 -4.521 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.152 -9.443 -3.902 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.295 -10.240 -4.803 1.00 1.48 O ATOM 0 H GLU A 34 -4.070 -6.486 -7.510 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.715 -8.867 -7.454 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.500 -6.162 -5.932 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.683 -7.377 -5.491 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.696 -7.925 -5.451 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.548 -7.254 -4.074 1.00 0.83 H new ATOM 556 N GLY A 35 -6.815 -5.926 -8.401 1.00 0.63 N ATOM 557 CA GLY A 35 -7.766 -5.254 -9.231 1.00 0.68 C ATOM 558 C GLY A 35 -8.754 -4.441 -8.469 1.00 0.76 C ATOM 559 O GLY A 35 -9.946 -4.622 -8.715 1.00 1.12 O ATOM 0 H GLY A 35 -6.054 -5.309 -8.117 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.234 -4.605 -9.927 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.300 -5.993 -9.829 1.00 0.68 H new ATOM 563 N ILE A 36 -8.258 -3.676 -7.480 1.00 0.70 N ATOM 564 CA ILE A 36 -9.029 -2.906 -6.554 1.00 0.76 C ATOM 565 C ILE A 36 -8.819 -1.544 -7.121 1.00 0.71 C ATOM 566 O ILE A 36 -7.661 -1.216 -7.376 1.00 0.73 O ATOM 567 CB ILE A 36 -8.521 -3.035 -5.148 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.605 -4.461 -4.579 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.259 -2.049 -4.228 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.765 -4.830 -3.358 1.00 1.16 C ATOM 0 H ILE A 36 -7.255 -3.590 -7.318 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.074 -3.203 -6.461 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.459 -2.792 -5.186 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.648 -4.653 -4.329 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.338 -5.150 -5.381 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.883 -2.150 -3.210 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.091 -1.030 -4.577 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.327 -2.266 -4.244 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.947 -5.871 -3.093 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.708 -4.693 -3.588 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.039 -4.189 -2.520 1.00 1.16 H new ATOM 582 N PRO A 37 -9.807 -0.729 -7.344 1.00 0.75 N ATOM 583 CA PRO A 37 -9.605 0.578 -7.898 1.00 0.79 C ATOM 584 C PRO A 37 -8.631 1.449 -7.182 1.00 0.75 C ATOM 585 O PRO A 37 -8.814 1.449 -5.966 1.00 0.75 O ATOM 586 CB PRO A 37 -10.987 1.225 -7.974 1.00 0.95 C ATOM 587 CG PRO A 37 -11.944 0.024 -7.905 1.00 1.02 C ATOM 588 CD PRO A 37 -11.203 -1.064 -7.111 1.00 0.85 C ATOM 0 HA PRO A 37 -9.136 0.463 -8.875 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -11.152 1.919 -7.150 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -11.116 1.790 -8.897 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.878 0.297 -7.414 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.200 -0.328 -8.904 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.456 -1.036 -6.051 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.446 -2.064 -7.470 1.00 0.85 H new ATOM 596 N PRO A 38 -7.698 2.182 -7.713 1.00 0.81 N ATOM 597 CA PRO A 38 -6.799 2.969 -6.920 1.00 0.85 C ATOM 598 C PRO A 38 -7.340 3.982 -5.970 1.00 0.89 C ATOM 599 O PRO A 38 -6.749 4.345 -4.956 1.00 0.99 O ATOM 600 CB PRO A 38 -5.918 3.639 -7.970 1.00 1.01 C ATOM 601 CG PRO A 38 -5.834 2.569 -9.071 1.00 1.25 C ATOM 602 CD PRO A 38 -7.233 1.930 -9.069 1.00 0.98 C ATOM 0 HA PRO A 38 -6.314 2.299 -6.210 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.359 4.565 -8.338 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.934 3.890 -7.573 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.597 3.009 -10.039 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.058 1.834 -8.856 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.887 2.385 -9.813 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -7.191 0.864 -9.291 1.00 0.98 H new ATOM 610 N ASP A 39 -8.550 4.466 -6.304 1.00 0.96 N ATOM 611 CA ASP A 39 -9.283 5.409 -5.517 1.00 1.11 C ATOM 612 C ASP A 39 -9.779 4.855 -4.225 1.00 1.00 C ATOM 613 O ASP A 39 -9.637 5.460 -3.163 1.00 1.14 O ATOM 614 CB ASP A 39 -10.338 6.100 -6.397 1.00 1.39 C ATOM 615 CG ASP A 39 -10.957 7.394 -5.893 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.134 8.347 -5.839 1.00 2.25 O ATOM 617 OD2 ASP A 39 -12.086 7.364 -5.332 1.00 2.23 O ATOM 0 H ASP A 39 -9.037 4.189 -7.156 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.604 6.189 -5.174 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.882 6.304 -7.366 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.146 5.389 -6.569 1.00 1.39 H new ATOM 622 N GLN A 40 -10.217 3.585 -4.165 1.00 0.87 N ATOM 623 CA GLN A 40 -10.665 3.015 -2.932 1.00 0.84 C ATOM 624 C GLN A 40 -9.587 2.699 -1.953 1.00 0.67 C ATOM 625 O GLN A 40 -9.768 2.746 -0.738 1.00 0.80 O ATOM 626 CB GLN A 40 -11.422 1.695 -3.154 1.00 0.95 C ATOM 627 CG GLN A 40 -12.737 1.952 -3.892 1.00 1.32 C ATOM 628 CD GLN A 40 -13.440 0.603 -3.853 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.211 -0.250 -4.710 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.240 0.309 -2.793 1.00 2.02 N ATOM 0 H GLN A 40 -10.261 2.955 -4.966 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.301 3.800 -2.524 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.803 1.006 -3.729 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.623 1.218 -2.195 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.327 2.726 -3.401 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.564 2.284 -4.916 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.428 1.018 -2.084 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.652 -0.620 -2.707 1.00 2.02 H new ATOM 639 N GLN A 41 -8.392 2.434 -2.512 1.00 0.56 N ATOM 640 CA GLN A 41 -7.267 2.169 -1.670 1.00 0.51 C ATOM 641 C GLN A 41 -6.681 3.253 -0.832 1.00 0.49 C ATOM 642 O GLN A 41 -6.316 4.352 -1.245 1.00 0.65 O ATOM 643 CB GLN A 41 -6.165 1.603 -2.581 1.00 0.67 C ATOM 644 CG GLN A 41 -6.578 0.629 -3.688 1.00 0.69 C ATOM 645 CD GLN A 41 -5.512 -0.123 -4.471 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.496 -0.477 -3.876 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.657 -0.400 -5.795 1.00 0.61 N ATOM 0 H GLN A 41 -8.207 2.403 -3.515 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.665 1.499 -0.908 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.654 2.444 -3.050 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.435 1.099 -1.948 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.236 -0.115 -3.238 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.175 1.189 -4.408 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.500 -0.106 -6.288 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.923 -0.902 -6.295 1.00 0.61 H new ATOM 656 N ARG A 42 -6.511 2.937 0.464 1.00 0.47 N ATOM 657 CA ARG A 42 -5.778 3.687 1.437 1.00 0.55 C ATOM 658 C ARG A 42 -4.781 2.840 2.149 1.00 0.46 C ATOM 659 O ARG A 42 -5.171 1.914 2.858 1.00 0.52 O ATOM 660 CB ARG A 42 -6.603 4.390 2.529 1.00 0.73 C ATOM 661 CG ARG A 42 -7.680 5.281 1.907 1.00 1.04 C ATOM 662 CD ARG A 42 -8.356 6.146 2.973 1.00 1.28 C ATOM 663 NE ARG A 42 -9.420 6.924 2.280 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.211 7.904 2.808 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.272 8.017 4.166 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.063 8.654 2.050 1.00 2.78 N ATOM 0 H ARG A 42 -6.918 2.091 0.862 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.318 4.459 0.821 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.069 3.646 3.175 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.946 4.991 3.157 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.234 5.919 1.144 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.426 4.662 1.408 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.781 5.526 3.762 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.634 6.813 3.445 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.576 6.699 1.297 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.736 7.380 4.755 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.854 8.739 4.592 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.128 8.493 1.045 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.635 9.376 2.489 1.00 2.78 H new ATOM 680 N LEU A 43 -3.497 3.180 1.931 1.00 0.46 N ATOM 681 CA LEU A 43 -2.365 2.561 2.547 1.00 0.42 C ATOM 682 C LEU A 43 -2.112 3.241 3.848 1.00 0.43 C ATOM 683 O LEU A 43 -2.127 4.468 3.930 1.00 0.55 O ATOM 684 CB LEU A 43 -1.146 2.535 1.609 1.00 0.55 C ATOM 685 CG LEU A 43 -1.127 1.445 0.524 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.932 0.057 1.159 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.313 1.569 -0.448 1.00 1.12 C ATOM 0 H LEU A 43 -3.236 3.928 1.289 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.570 1.510 2.749 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.076 3.505 1.117 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.250 2.422 2.220 1.00 0.55 H new ATOM 0 HG LEU A 43 -0.259 1.594 -0.119 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.921 -0.702 0.377 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.014 0.034 1.700 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -1.750 -0.145 1.850 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.255 0.778 -1.195 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -3.248 1.478 0.105 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.277 2.539 -0.944 1.00 1.12 H new ATOM 699 N ILE A 44 -1.974 2.381 4.875 1.00 0.42 N ATOM 700 CA ILE A 44 -1.666 2.779 6.214 1.00 0.46 C ATOM 701 C ILE A 44 -0.486 1.992 6.672 1.00 0.42 C ATOM 702 O ILE A 44 -0.457 0.777 6.481 1.00 0.53 O ATOM 703 CB ILE A 44 -2.828 2.582 7.141 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.096 3.313 6.666 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.402 3.030 8.549 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.002 4.834 6.565 1.00 1.27 C ATOM 0 H ILE A 44 -2.081 1.372 4.768 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.440 3.845 6.226 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.096 1.526 7.154 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.370 2.921 5.686 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.910 3.065 7.348 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.233 2.895 9.241 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.554 2.431 8.880 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.117 4.082 8.525 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -4.955 5.235 6.221 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.766 5.250 7.544 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.218 5.104 5.858 1.00 1.27 H new ATOM 718 N PHE A 45 0.578 2.702 7.086 1.00 0.42 N ATOM 719 CA PHE A 45 1.695 2.058 7.704 1.00 0.46 C ATOM 720 C PHE A 45 1.921 2.664 9.046 1.00 0.68 C ATOM 721 O PHE A 45 2.075 3.870 9.232 1.00 1.50 O ATOM 722 CB PHE A 45 2.882 2.176 6.732 1.00 0.56 C ATOM 723 CG PHE A 45 4.158 1.590 7.230 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.294 0.228 7.352 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.162 2.364 7.764 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.305 -0.349 8.084 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.227 1.850 8.466 1.00 1.33 C ATOM 728 CZ PHE A 45 6.279 0.482 8.589 1.00 1.02 C ATOM 0 H PHE A 45 0.665 3.714 6.994 1.00 0.42 H new ATOM 0 HA PHE A 45 1.534 0.996 7.889 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.616 1.688 5.795 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.046 3.230 6.507 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.581 -0.413 6.855 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.111 3.434 7.624 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.334 -1.415 8.256 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.983 2.488 8.898 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.120 0.041 9.104 1.00 1.02 H new ATOM 738 N ALA A 46 1.911 1.777 10.057 1.00 0.81 N ATOM 739 CA ALA A 46 1.956 2.030 11.464 1.00 0.96 C ATOM 740 C ALA A 46 0.869 2.890 12.009 1.00 0.97 C ATOM 741 O ALA A 46 -0.209 2.461 12.416 1.00 1.21 O ATOM 742 CB ALA A 46 3.384 2.465 11.836 1.00 1.20 C ATOM 0 H ALA A 46 1.867 0.776 9.865 1.00 0.81 H new ATOM 0 HA ALA A 46 1.728 1.096 11.978 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.437 2.662 12.907 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.085 1.671 11.578 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.643 3.370 11.287 1.00 1.20 H new ATOM 748 N GLY A 47 1.141 4.206 12.081 1.00 0.99 N ATOM 749 CA GLY A 47 0.283 5.224 12.604 1.00 1.10 C ATOM 750 C GLY A 47 -0.253 6.143 11.561 1.00 1.03 C ATOM 751 O GLY A 47 -1.394 6.603 11.593 1.00 1.30 O ATOM 0 H GLY A 47 2.028 4.585 11.748 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.551 4.753 13.125 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.833 5.807 13.343 1.00 1.10 H new ATOM 755 N LYS A 48 0.591 6.478 10.570 1.00 0.98 N ATOM 756 CA LYS A 48 0.438 7.437 9.519 1.00 1.05 C ATOM 757 C LYS A 48 -0.331 6.983 8.326 1.00 0.84 C ATOM 758 O LYS A 48 -0.295 5.806 7.972 1.00 0.81 O ATOM 759 CB LYS A 48 1.757 8.105 9.092 1.00 1.42 C ATOM 760 CG LYS A 48 2.369 9.026 10.149 1.00 1.61 C ATOM 761 CD LYS A 48 3.319 10.085 9.587 1.00 1.87 C ATOM 762 CE LYS A 48 4.565 9.526 8.895 1.00 2.22 C ATOM 763 NZ LYS A 48 5.606 10.578 8.926 1.00 2.55 N ATOM 0 H LYS A 48 1.497 6.014 10.500 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.187 8.191 9.998 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.480 7.328 8.842 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.581 8.681 8.183 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.564 9.526 10.688 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.909 8.418 10.875 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.772 10.703 8.875 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.634 10.739 10.400 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.914 8.627 9.403 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.337 9.243 7.867 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.468 10.227 8.462 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.262 11.422 8.425 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.821 10.825 9.913 1.00 2.55 H new ATOM 777 N GLN A 49 -1.091 7.849 7.632 1.00 0.84 N ATOM 778 CA GLN A 49 -1.744 7.594 6.387 1.00 0.80 C ATOM 779 C GLN A 49 -0.846 8.013 5.275 1.00 0.72 C ATOM 780 O GLN A 49 -0.163 9.034 5.335 1.00 0.83 O ATOM 781 CB GLN A 49 -3.070 8.372 6.317 1.00 1.03 C ATOM 782 CG GLN A 49 -2.875 9.886 6.219 1.00 1.67 C ATOM 783 CD GLN A 49 -4.196 10.640 6.300 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.285 10.079 6.405 1.00 2.24 O ATOM 785 NE2 GLN A 49 -4.018 11.963 6.044 1.00 2.48 N ATOM 0 H GLN A 49 -1.260 8.797 7.968 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.963 6.530 6.300 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.640 8.029 5.454 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.664 8.145 7.202 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -2.218 10.219 7.022 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -2.377 10.127 5.280 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -3.075 12.346 5.973 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -4.827 12.572 5.923 1.00 2.48 H new ATOM 794 N LEU A 50 -0.835 7.216 4.192 1.00 0.69 N ATOM 795 CA LEU A 50 0.142 7.365 3.157 1.00 0.66 C ATOM 796 C LEU A 50 -0.552 8.156 2.103 1.00 0.72 C ATOM 797 O LEU A 50 -1.638 7.851 1.610 1.00 0.90 O ATOM 798 CB LEU A 50 0.744 6.010 2.748 1.00 0.65 C ATOM 799 CG LEU A 50 1.324 5.135 3.870 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.067 3.941 3.246 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.317 5.800 4.838 1.00 0.74 C ATOM 0 H LEU A 50 -1.506 6.465 4.032 1.00 0.69 H new ATOM 0 HA LEU A 50 1.041 7.904 3.454 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.029 5.436 2.237 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.535 6.197 2.021 1.00 0.65 H new ATOM 0 HG LEU A 50 0.447 4.871 4.461 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.481 3.316 4.037 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.372 3.354 2.646 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.875 4.306 2.612 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.647 5.071 5.578 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.179 6.166 4.280 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.830 6.634 5.343 1.00 0.74 H new ATOM 813 N GLU A 51 0.106 9.246 1.672 1.00 0.70 N ATOM 814 CA GLU A 51 -0.250 10.111 0.590 1.00 0.76 C ATOM 815 C GLU A 51 0.203 9.601 -0.734 1.00 0.77 C ATOM 816 O GLU A 51 1.312 9.107 -0.932 1.00 1.23 O ATOM 817 CB GLU A 51 0.257 11.547 0.809 1.00 0.88 C ATOM 818 CG GLU A 51 0.064 12.564 -0.317 1.00 1.35 C ATOM 819 CD GLU A 51 -1.327 13.181 -0.284 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.717 13.765 0.761 1.00 1.94 O ATOM 821 OE2 GLU A 51 -2.132 13.074 -1.248 1.00 1.89 O ATOM 0 H GLU A 51 0.968 9.549 2.125 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.340 10.128 0.578 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.233 11.940 1.700 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.323 11.493 1.029 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.813 13.351 -0.230 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.224 12.077 -1.279 1.00 1.35 H new ATOM 828 N ASP A 52 -0.616 9.747 -1.791 1.00 0.66 N ATOM 829 CA ASP A 52 -0.380 9.166 -3.076 1.00 0.65 C ATOM 830 C ASP A 52 0.894 9.465 -3.790 1.00 0.60 C ATOM 831 O ASP A 52 1.640 8.549 -4.129 1.00 0.62 O ATOM 832 CB ASP A 52 -1.553 9.442 -4.031 1.00 0.81 C ATOM 833 CG ASP A 52 -2.791 8.876 -3.352 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.319 9.564 -2.436 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.203 7.763 -3.776 1.00 1.56 O ATOM 0 H ASP A 52 -1.477 10.292 -1.748 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.282 8.114 -2.807 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.663 10.511 -4.214 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.388 8.968 -4.999 1.00 0.81 H new ATOM 840 N GLY A 53 1.203 10.761 -3.979 1.00 0.68 N ATOM 841 CA GLY A 53 2.432 11.213 -4.554 1.00 0.73 C ATOM 842 C GLY A 53 3.614 11.323 -3.653 1.00 0.72 C ATOM 843 O GLY A 53 4.627 11.794 -4.170 1.00 0.97 O ATOM 0 H GLY A 53 0.574 11.522 -3.722 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.691 10.536 -5.368 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.255 12.193 -4.998 1.00 0.73 H new ATOM 847 N ARG A 54 3.610 10.864 -2.389 1.00 0.64 N ATOM 848 CA ARG A 54 4.818 10.646 -1.654 1.00 0.63 C ATOM 849 C ARG A 54 5.541 9.387 -1.985 1.00 0.59 C ATOM 850 O ARG A 54 4.928 8.518 -2.605 1.00 0.62 O ATOM 851 CB ARG A 54 4.442 10.655 -0.163 1.00 0.69 C ATOM 852 CG ARG A 54 4.047 12.063 0.286 1.00 0.82 C ATOM 853 CD ARG A 54 5.080 13.191 0.268 1.00 1.18 C ATOM 854 NE ARG A 54 4.416 14.213 1.124 1.00 1.50 N ATOM 855 CZ ARG A 54 4.670 15.555 1.111 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.496 16.157 0.207 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.884 16.337 1.906 1.00 2.49 N ATOM 0 H ARG A 54 2.760 10.642 -1.871 1.00 0.64 H new ATOM 0 HA ARG A 54 5.515 11.440 -1.924 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.616 9.966 0.013 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.284 10.301 0.432 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.211 12.379 -0.338 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.671 11.984 1.306 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.040 12.875 0.676 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.268 13.560 -0.740 1.00 1.18 H new ATOM 0 HE ARG A 54 3.708 13.881 1.779 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.962 15.599 -0.509 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.647 17.165 0.247 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.149 15.913 2.472 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.031 17.346 1.934 1.00 2.49 H new ATOM 871 N THR A 55 6.852 9.214 -1.738 1.00 0.63 N ATOM 872 CA THR A 55 7.596 8.004 -1.893 1.00 0.61 C ATOM 873 C THR A 55 7.603 7.154 -0.669 1.00 0.59 C ATOM 874 O THR A 55 7.453 7.598 0.468 1.00 0.64 O ATOM 875 CB THR A 55 8.989 8.131 -2.435 1.00 0.68 C ATOM 876 OG1 THR A 55 9.791 8.810 -1.480 1.00 0.75 O ATOM 877 CG2 THR A 55 9.025 8.915 -3.757 1.00 0.76 C ATOM 0 H THR A 55 7.435 9.981 -1.404 1.00 0.63 H new ATOM 0 HA THR A 55 7.027 7.506 -2.678 1.00 0.61 H new ATOM 0 HB THR A 55 9.367 7.127 -2.628 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.276 9.542 -1.082 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.053 8.982 -4.112 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.417 8.401 -4.501 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.631 9.918 -3.596 1.00 0.76 H new ATOM 885 N LEU A 56 7.838 5.848 -0.883 1.00 0.58 N ATOM 886 CA LEU A 56 8.160 4.963 0.195 1.00 0.59 C ATOM 887 C LEU A 56 9.314 5.464 0.992 1.00 0.64 C ATOM 888 O LEU A 56 9.334 5.370 2.218 1.00 0.70 O ATOM 889 CB LEU A 56 8.487 3.567 -0.363 1.00 0.60 C ATOM 890 CG LEU A 56 7.429 2.836 -1.207 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.996 1.446 -1.542 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.089 2.719 -0.461 1.00 1.03 C ATOM 0 H LEU A 56 7.805 5.404 -1.801 1.00 0.58 H new ATOM 0 HA LEU A 56 7.294 4.909 0.855 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.388 3.658 -0.970 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.736 2.925 0.482 1.00 0.60 H new ATOM 0 HG LEU A 56 7.222 3.399 -2.117 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.273 0.893 -2.142 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.924 1.557 -2.103 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.193 0.901 -0.619 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.367 2.197 -1.089 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.235 2.161 0.464 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.714 3.716 -0.229 1.00 1.03 H new ATOM 904 N SER A 57 10.329 6.085 0.364 1.00 0.68 N ATOM 905 CA SER A 57 11.509 6.596 0.991 1.00 0.75 C ATOM 906 C SER A 57 11.236 7.535 2.114 1.00 0.76 C ATOM 907 O SER A 57 11.850 7.419 3.174 1.00 0.84 O ATOM 908 CB SER A 57 12.360 7.259 -0.106 1.00 0.84 C ATOM 909 OG SER A 57 13.704 7.600 0.201 1.00 1.19 O ATOM 0 H SER A 57 10.325 6.239 -0.644 1.00 0.68 H new ATOM 0 HA SER A 57 12.044 5.769 1.458 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.375 6.590 -0.966 1.00 0.84 H new ATOM 0 HB3 SER A 57 11.849 8.169 -0.419 1.00 0.84 H new ATOM 0 HG SER A 57 14.125 8.010 -0.583 1.00 1.19 H new ATOM 915 N ASP A 58 10.338 8.503 1.852 1.00 0.75 N ATOM 916 CA ASP A 58 9.782 9.420 2.797 1.00 0.78 C ATOM 917 C ASP A 58 9.293 8.926 4.115 1.00 0.77 C ATOM 918 O ASP A 58 9.579 9.557 5.130 1.00 0.86 O ATOM 919 CB ASP A 58 8.648 10.186 2.092 1.00 0.83 C ATOM 920 CG ASP A 58 9.125 11.138 1.005 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.974 12.030 1.271 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.667 10.992 -0.160 1.00 1.86 O ATOM 0 H ASP A 58 9.976 8.654 0.910 1.00 0.75 H new ATOM 0 HA ASP A 58 10.640 10.023 3.095 1.00 0.78 H new ATOM 0 HB2 ASP A 58 7.956 9.467 1.653 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.089 10.752 2.837 1.00 0.83 H new ATOM 927 N TYR A 59 8.558 7.800 4.154 1.00 0.72 N ATOM 928 CA TYR A 59 8.009 7.141 5.299 1.00 0.73 C ATOM 929 C TYR A 59 8.891 6.030 5.755 1.00 0.76 C ATOM 930 O TYR A 59 8.564 5.241 6.641 1.00 0.89 O ATOM 931 CB TYR A 59 6.653 6.493 4.974 1.00 0.73 C ATOM 932 CG TYR A 59 5.692 7.460 4.370 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.193 8.432 5.205 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.290 7.312 3.063 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.273 9.339 4.734 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.383 8.233 2.592 1.00 0.70 C ATOM 937 CZ TYR A 59 3.869 9.195 3.427 1.00 0.74 C ATOM 938 OH TYR A 59 2.757 9.911 2.936 1.00 0.86 O ATOM 0 H TYR A 59 8.326 7.302 3.294 1.00 0.72 H new ATOM 0 HA TYR A 59 7.907 7.909 6.066 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.806 5.660 4.288 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.223 6.079 5.886 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.524 8.483 6.232 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.667 6.515 2.439 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.885 10.128 5.361 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.073 8.199 1.558 1.00 0.70 H new ATOM 0 HH TYR A 59 2.923 10.873 3.023 1.00 0.86 H new ATOM 948 N ASN A 60 10.059 5.852 5.113 1.00 0.74 N ATOM 949 CA ASN A 60 11.010 4.806 5.337 1.00 0.79 C ATOM 950 C ASN A 60 10.412 3.446 5.224 1.00 0.75 C ATOM 951 O ASN A 60 10.698 2.620 6.088 1.00 0.86 O ATOM 952 CB ASN A 60 11.789 5.032 6.643 1.00 0.95 C ATOM 953 CG ASN A 60 12.671 6.262 6.488 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.482 7.280 7.152 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.816 6.091 5.773 1.00 1.83 N ATOM 0 H ASN A 60 10.362 6.491 4.378 1.00 0.74 H new ATOM 0 HA ASN A 60 11.741 4.852 4.530 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.098 5.167 7.475 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.399 4.158 6.874 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.536 6.814 5.782 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.955 5.240 5.228 1.00 1.83 H new ATOM 962 N ILE A 61 9.617 3.096 4.197 1.00 0.67 N ATOM 963 CA ILE A 61 9.097 1.769 4.081 1.00 0.65 C ATOM 964 C ILE A 61 10.126 0.860 3.502 1.00 0.66 C ATOM 965 O ILE A 61 10.570 1.170 2.398 1.00 0.75 O ATOM 966 CB ILE A 61 7.769 1.778 3.385 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.734 2.363 4.361 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.397 0.346 2.966 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.318 2.581 3.831 1.00 0.82 C ATOM 0 H ILE A 61 9.335 3.730 3.449 1.00 0.67 H new ATOM 0 HA ILE A 61 8.882 1.355 5.066 1.00 0.65 H new ATOM 0 HB ILE A 61 7.801 2.387 2.482 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.673 1.701 5.225 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.112 3.321 4.719 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.431 0.354 2.460 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.158 -0.044 2.290 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.338 -0.288 3.851 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.694 2.997 4.622 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.347 3.273 2.990 1.00 0.82 H new ATOM 0 HD13 ILE A 61 4.902 1.629 3.503 1.00 0.82 H new ATOM 981 N GLN A 62 10.589 -0.179 4.219 1.00 0.67 N ATOM 982 CA GLN A 62 11.737 -0.928 3.812 1.00 0.70 C ATOM 983 C GLN A 62 11.288 -2.284 3.386 1.00 0.62 C ATOM 984 O GLN A 62 10.112 -2.623 3.501 1.00 0.64 O ATOM 985 CB GLN A 62 12.795 -0.963 4.928 1.00 0.85 C ATOM 986 CG GLN A 62 13.593 0.343 4.919 1.00 1.27 C ATOM 987 CD GLN A 62 14.667 0.349 5.997 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.481 -0.547 6.221 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.551 1.400 6.851 1.00 2.16 N ATOM 0 H GLN A 62 10.164 -0.503 5.088 1.00 0.67 H new ATOM 0 HA GLN A 62 12.225 -0.449 2.963 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.313 -1.100 5.896 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.464 -1.811 4.782 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.056 0.481 3.942 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.917 1.184 5.073 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.875 2.140 6.661 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.140 1.449 7.682 1.00 2.16 H new ATOM 998 N LYS A 63 12.176 -3.168 2.895 1.00 0.64 N ATOM 999 CA LYS A 63 12.040 -4.542 2.523 1.00 0.62 C ATOM 1000 C LYS A 63 11.482 -5.432 3.579 1.00 0.59 C ATOM 1001 O LYS A 63 11.838 -5.371 4.755 1.00 0.66 O ATOM 1002 CB LYS A 63 13.220 -5.164 1.758 1.00 0.74 C ATOM 1003 CG LYS A 63 14.401 -5.358 2.712 1.00 0.89 C ATOM 1004 CD LYS A 63 15.674 -5.780 1.974 1.00 1.11 C ATOM 1005 CE LYS A 63 16.823 -6.324 2.826 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.884 -6.922 1.985 1.00 2.12 N ATOM 0 H LYS A 63 13.137 -2.863 2.737 1.00 0.64 H new ATOM 0 HA LYS A 63 11.258 -4.476 1.767 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.925 -6.121 1.328 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.511 -4.519 0.929 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.586 -4.430 3.252 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.146 -6.114 3.455 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.405 -6.542 1.242 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.044 -4.919 1.417 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.244 -5.519 3.428 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.441 -7.073 3.519 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.648 -7.281 2.593 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.486 -7.706 1.429 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.265 -6.200 1.341 1.00 2.12 H new ATOM 1020 N GLU A 64 10.446 -6.161 3.129 1.00 0.57 N ATOM 1021 CA GLU A 64 9.716 -7.177 3.823 1.00 0.58 C ATOM 1022 C GLU A 64 9.015 -6.569 4.990 1.00 0.56 C ATOM 1023 O GLU A 64 8.883 -7.131 6.076 1.00 0.70 O ATOM 1024 CB GLU A 64 10.555 -8.427 4.136 1.00 0.72 C ATOM 1025 CG GLU A 64 10.989 -9.273 2.938 1.00 0.96 C ATOM 1026 CD GLU A 64 11.640 -10.612 3.252 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.103 -10.892 4.391 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.740 -11.455 2.322 1.00 1.69 O ATOM 0 H GLU A 64 10.085 -6.024 2.185 1.00 0.57 H new ATOM 0 HA GLU A 64 8.946 -7.578 3.164 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.449 -8.112 4.674 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.983 -9.062 4.813 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.113 -9.457 2.315 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.687 -8.686 2.341 1.00 0.96 H new ATOM 1035 N SER A 65 8.312 -5.443 4.777 1.00 0.51 N ATOM 1036 CA SER A 65 7.529 -4.693 5.710 1.00 0.51 C ATOM 1037 C SER A 65 6.096 -5.097 5.737 1.00 0.43 C ATOM 1038 O SER A 65 5.687 -5.900 4.900 1.00 0.50 O ATOM 1039 CB SER A 65 7.541 -3.186 5.402 1.00 0.65 C ATOM 1040 OG SER A 65 7.397 -2.863 4.027 1.00 1.04 O ATOM 0 H SER A 65 8.292 -5.014 3.852 1.00 0.51 H new ATOM 0 HA SER A 65 7.998 -4.905 6.671 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.736 -2.708 5.960 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.477 -2.762 5.765 1.00 0.65 H new ATOM 0 HG SER A 65 8.282 -2.729 3.628 1.00 1.04 H new ATOM 1046 N THR A 66 5.236 -4.594 6.642 1.00 0.45 N ATOM 1047 CA THR A 66 3.826 -4.829 6.640 1.00 0.45 C ATOM 1048 C THR A 66 3.042 -3.566 6.537 1.00 0.43 C ATOM 1049 O THR A 66 3.003 -2.744 7.452 1.00 0.58 O ATOM 1050 CB THR A 66 3.316 -5.550 7.853 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.950 -6.816 7.976 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.813 -5.877 7.807 1.00 0.78 C ATOM 0 H THR A 66 5.539 -3.996 7.410 1.00 0.45 H new ATOM 0 HA THR A 66 3.683 -5.459 5.762 1.00 0.45 H new ATOM 0 HB THR A 66 3.525 -4.868 8.677 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.610 -7.276 8.772 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.526 -6.398 8.721 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.242 -4.953 7.721 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.605 -6.513 6.946 1.00 0.78 H new ATOM 1060 N LEU A 67 2.319 -3.425 5.412 1.00 0.38 N ATOM 1061 CA LEU A 67 1.421 -2.353 5.118 1.00 0.38 C ATOM 1062 C LEU A 67 0.024 -2.852 5.264 1.00 0.37 C ATOM 1063 O LEU A 67 -0.165 -4.063 5.176 1.00 0.50 O ATOM 1064 CB LEU A 67 1.559 -1.764 3.704 1.00 0.46 C ATOM 1065 CG LEU A 67 2.798 -0.945 3.301 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.110 -1.744 3.387 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.596 -0.325 1.909 1.00 1.31 C ATOM 0 H LEU A 67 2.366 -4.108 4.656 1.00 0.38 H new ATOM 0 HA LEU A 67 1.670 -1.555 5.818 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.485 -2.596 3.004 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.689 -1.129 3.537 1.00 0.46 H new ATOM 0 HG LEU A 67 2.902 -0.141 4.030 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.944 -1.108 3.090 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.262 -2.086 4.411 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.056 -2.605 2.721 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.480 0.252 1.636 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.439 -1.117 1.177 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.726 0.331 1.926 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.901 -1.915 5.538 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.259 -2.271 5.812 1.00 0.37 C ATOM 1081 C HIS A 68 -3.058 -1.616 4.739 1.00 0.35 C ATOM 1082 O HIS A 68 -3.040 -0.389 4.636 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.676 -1.685 7.171 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.838 -2.183 8.311 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.457 -3.480 8.587 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.355 -1.472 9.365 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.787 -3.457 9.770 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.671 -2.245 10.280 1.00 1.51 N ATOM 0 H HIS A 68 -0.710 -0.914 5.570 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.402 -3.351 5.840 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.609 -0.598 7.127 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.720 -1.932 7.361 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.493 -0.407 9.475 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.390 -4.342 10.245 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.196 -1.954 11.134 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.959 -2.355 4.068 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.855 -1.837 3.081 1.00 0.38 C ATOM 1098 C LEU A 69 -6.224 -1.585 3.613 1.00 0.41 C ATOM 1099 O LEU A 69 -6.907 -2.501 4.067 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.996 -2.750 1.851 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.830 -2.245 0.663 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.502 -0.796 0.266 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.420 -3.168 -0.497 1.00 1.14 C ATOM 0 H LEU A 69 -4.068 -3.358 4.220 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.395 -0.894 2.784 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.994 -2.971 1.484 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.429 -3.693 2.184 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.891 -2.259 0.911 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.125 -0.500 -0.578 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.697 -0.134 1.110 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.451 -0.725 -0.015 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.966 -2.885 -1.397 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.349 -3.073 -0.677 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.654 -4.201 -0.240 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.676 -0.319 3.595 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.007 0.088 3.921 1.00 0.56 C ATOM 1117 C VAL A 70 -8.751 0.378 2.663 1.00 0.55 C ATOM 1118 O VAL A 70 -8.296 1.046 1.735 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.113 1.299 4.801 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.567 1.692 5.108 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.381 1.094 6.137 1.00 0.97 C ATOM 0 H VAL A 70 -6.077 0.466 3.338 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.427 -0.745 4.485 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.644 2.103 4.234 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.578 2.574 5.748 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.089 1.913 4.177 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.067 0.868 5.617 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.480 1.992 6.747 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.818 0.246 6.665 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.326 0.898 5.947 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.959 -0.189 2.498 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.759 0.066 1.341 1.00 0.84 C ATOM 1133 C LEU A 71 -11.875 0.974 1.728 1.00 0.85 C ATOM 1134 O LEU A 71 -12.856 0.544 2.334 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.466 -1.209 0.850 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.576 -2.352 0.329 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.437 -3.466 -0.290 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.500 -1.903 -0.674 1.00 2.78 C ATOM 0 H LEU A 71 -10.384 -0.828 3.170 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.097 0.472 0.576 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.069 -1.598 1.670 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.155 -0.928 0.054 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.042 -2.730 1.201 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.791 -4.266 -0.653 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.116 -3.862 0.465 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.014 -3.060 -1.121 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.916 -2.767 -0.992 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.978 -1.448 -1.542 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.842 -1.175 -0.200 1.00 2.78 H new