USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 732 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -0.0911 K(o=-0.091,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.347 X(o=0.35,f=-0.0022) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HE2:sc= -0.0251 K(o=-0.025,f=-1.3) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.362 X(o=0.36,f=-0.0074) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.295 -18.267 -19.335 1.00 0.77 N ATOM 2 CA GLY A 1 130.959 -18.118 -18.696 1.00 0.81 C ATOM 3 C GLY A 1 130.821 -16.808 -17.944 1.00 0.65 C ATOM 4 O GLY A 1 130.578 -15.763 -18.550 1.00 0.70 O ATOM 0 H1 GLY A 1 132.340 -19.177 -19.836 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.445 -17.491 -20.011 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.035 -18.237 -18.604 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.185 -18.178 -19.461 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.793 -18.948 -18.009 1.00 0.81 H new ATOM 10 N SER A 2 130.983 -16.865 -16.621 1.00 0.55 N ATOM 11 CA SER A 2 130.882 -15.673 -15.779 1.00 0.48 C ATOM 12 C SER A 2 132.248 -15.019 -15.565 1.00 0.47 C ATOM 13 O SER A 2 132.317 -13.864 -15.144 1.00 0.71 O ATOM 14 CB SER A 2 130.252 -16.025 -14.426 1.00 0.54 C ATOM 15 OG SER A 2 128.836 -16.026 -14.501 1.00 0.67 O ATOM 0 H SER A 2 131.185 -17.724 -16.110 1.00 0.55 H new ATOM 0 HA SER A 2 130.243 -14.958 -16.297 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.602 -17.006 -14.104 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.578 -15.307 -13.673 1.00 0.54 H new ATOM 0 HG SER A 2 128.462 -16.255 -13.625 1.00 0.67 H new ATOM 21 N LEU A 3 133.332 -15.746 -15.866 1.00 0.38 N ATOM 22 CA LEU A 3 134.686 -15.204 -15.715 1.00 0.43 C ATOM 23 C LEU A 3 135.006 -14.279 -16.891 1.00 0.53 C ATOM 24 O LEU A 3 135.904 -14.545 -17.693 1.00 0.88 O ATOM 25 CB LEU A 3 135.729 -16.328 -15.617 1.00 0.48 C ATOM 26 CG LEU A 3 135.498 -17.533 -16.542 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.806 -17.972 -17.186 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.867 -18.689 -15.771 1.00 1.42 C ATOM 0 H LEU A 3 133.297 -16.704 -16.213 1.00 0.38 H new ATOM 0 HA LEU A 3 134.727 -14.634 -14.787 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.711 -15.908 -15.836 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.757 -16.684 -14.587 1.00 0.48 H new ATOM 0 HG LEU A 3 134.810 -17.231 -17.332 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.622 -18.826 -17.837 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.217 -17.150 -17.773 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.517 -18.254 -16.410 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.711 -19.533 -16.443 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.529 -18.989 -14.959 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.909 -18.372 -15.359 1.00 1.42 H new ATOM 40 N THR A 4 134.231 -13.202 -16.985 1.00 0.41 N ATOM 41 CA THR A 4 134.361 -12.218 -18.052 1.00 0.49 C ATOM 42 C THR A 4 133.938 -10.842 -17.537 1.00 0.39 C ATOM 43 O THR A 4 133.992 -10.592 -16.335 1.00 0.39 O ATOM 44 CB THR A 4 133.515 -12.644 -19.262 1.00 0.65 C ATOM 45 OG1 THR A 4 132.171 -12.886 -18.873 1.00 0.64 O ATOM 46 CG2 THR A 4 134.031 -13.900 -19.943 1.00 0.80 C ATOM 0 H THR A 4 133.490 -12.987 -16.317 1.00 0.41 H new ATOM 0 HA THR A 4 135.401 -12.158 -18.372 1.00 0.49 H new ATOM 0 HB THR A 4 133.580 -11.816 -19.967 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.647 -13.155 -19.656 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.389 -14.145 -20.789 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.048 -13.730 -20.297 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.027 -14.727 -19.233 1.00 0.80 H new ATOM 54 N TYR A 5 133.565 -9.942 -18.445 1.00 0.48 N ATOM 55 CA TYR A 5 133.167 -8.576 -18.093 1.00 0.46 C ATOM 56 C TYR A 5 132.319 -8.489 -16.816 1.00 0.42 C ATOM 57 O TYR A 5 132.538 -7.594 -15.998 1.00 0.47 O ATOM 58 CB TYR A 5 132.410 -7.946 -19.263 1.00 0.59 C ATOM 59 CG TYR A 5 132.038 -6.491 -19.047 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.011 -5.520 -18.826 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.708 -6.094 -19.058 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.666 -4.198 -18.621 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.355 -4.773 -18.856 1.00 0.90 C ATOM 64 CZ TYR A 5 131.337 -3.829 -18.637 1.00 0.65 C ATOM 65 OH TYR A 5 130.989 -2.508 -18.435 1.00 0.79 O ATOM 0 H TYR A 5 133.529 -10.137 -19.446 1.00 0.48 H new ATOM 0 HA TYR A 5 134.086 -8.027 -17.887 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.021 -8.024 -20.162 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.501 -8.519 -19.445 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.053 -5.805 -18.815 1.00 0.71 H new ATOM 0 HD2 TYR A 5 129.936 -6.830 -19.227 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.433 -3.457 -18.449 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.315 -4.481 -18.870 1.00 0.90 H new ATOM 0 HH TYR A 5 130.014 -2.416 -18.478 1.00 0.79 H new ATOM 75 N GLU A 6 131.353 -9.397 -16.638 1.00 0.48 N ATOM 76 CA GLU A 6 130.492 -9.375 -15.450 1.00 0.50 C ATOM 77 C GLU A 6 131.246 -9.788 -14.182 1.00 0.38 C ATOM 78 O GLU A 6 130.788 -9.512 -13.071 1.00 0.47 O ATOM 79 CB GLU A 6 129.283 -10.295 -15.656 1.00 0.60 C ATOM 80 CG GLU A 6 127.962 -9.550 -15.739 1.00 0.65 C ATOM 81 CD GLU A 6 126.792 -10.475 -16.015 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.200 -10.989 -15.043 1.00 0.99 O ATOM 83 OE2 GLU A 6 126.471 -10.687 -17.204 1.00 1.16 O ATOM 0 H GLU A 6 131.149 -10.150 -17.295 1.00 0.48 H new ATOM 0 HA GLU A 6 130.155 -8.347 -15.315 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.425 -10.869 -16.571 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.237 -11.010 -14.835 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.788 -9.019 -14.803 1.00 0.65 H new ATOM 0 HG3 GLU A 6 128.021 -8.798 -16.526 1.00 0.65 H new ATOM 90 N GLU A 7 132.401 -10.434 -14.345 1.00 0.30 N ATOM 91 CA GLU A 7 133.205 -10.863 -13.201 1.00 0.29 C ATOM 92 C GLU A 7 133.965 -9.680 -12.609 1.00 0.28 C ATOM 93 O GLU A 7 133.967 -9.482 -11.394 1.00 0.46 O ATOM 94 CB GLU A 7 134.190 -11.964 -13.606 1.00 0.40 C ATOM 95 CG GLU A 7 134.385 -13.031 -12.537 1.00 0.56 C ATOM 96 CD GLU A 7 135.577 -12.746 -11.641 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.410 -12.013 -10.643 1.00 0.81 O ATOM 98 OE2 GLU A 7 136.678 -13.255 -11.938 1.00 1.01 O ATOM 0 H GLU A 7 132.799 -10.671 -15.254 1.00 0.30 H new ATOM 0 HA GLU A 7 132.528 -11.264 -12.447 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.835 -12.439 -14.521 1.00 0.40 H new ATOM 0 HB3 GLU A 7 135.154 -11.511 -13.835 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.484 -13.098 -11.927 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.519 -14.001 -13.016 1.00 0.56 H new ATOM 105 N VAL A 8 134.601 -8.889 -13.477 1.00 0.34 N ATOM 106 CA VAL A 8 135.356 -7.718 -13.043 1.00 0.36 C ATOM 107 C VAL A 8 134.417 -6.584 -12.624 1.00 0.28 C ATOM 108 O VAL A 8 134.728 -5.824 -11.706 1.00 0.39 O ATOM 109 CB VAL A 8 136.309 -7.221 -14.156 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.530 -6.707 -15.360 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.249 -6.150 -13.624 1.00 0.77 C ATOM 0 H VAL A 8 134.606 -9.041 -14.486 1.00 0.34 H new ATOM 0 HA VAL A 8 135.953 -8.019 -12.182 1.00 0.36 H new ATOM 0 HB VAL A 8 136.909 -8.070 -14.484 1.00 0.54 H new ATOM 0 HG11 VAL A 8 136.227 -6.365 -16.125 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.913 -7.510 -15.764 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.892 -5.878 -15.054 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.910 -5.816 -14.424 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.667 -5.305 -13.257 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.845 -6.561 -12.809 1.00 0.77 H new ATOM 121 N LEU A 9 133.270 -6.475 -13.307 1.00 0.36 N ATOM 122 CA LEU A 9 132.289 -5.433 -13.005 1.00 0.49 C ATOM 123 C LEU A 9 131.893 -5.472 -11.531 1.00 0.53 C ATOM 124 O LEU A 9 132.058 -4.482 -10.816 1.00 0.73 O ATOM 125 CB LEU A 9 131.044 -5.581 -13.887 1.00 0.66 C ATOM 126 CG LEU A 9 130.522 -4.277 -14.502 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.366 -4.563 -15.448 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.091 -3.301 -13.413 1.00 0.72 C ATOM 0 H LEU A 9 133.002 -7.096 -14.070 1.00 0.36 H new ATOM 0 HA LEU A 9 132.752 -4.469 -13.217 1.00 0.49 H new ATOM 0 HB2 LEU A 9 131.270 -6.279 -14.693 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.248 -6.028 -13.292 1.00 0.66 H new ATOM 0 HG LEU A 9 131.331 -3.818 -15.070 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.006 -3.627 -15.876 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.705 -5.222 -16.248 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.557 -5.045 -14.899 1.00 0.86 H new ATOM 0 HD21 LEU A 9 129.724 -2.383 -13.872 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.298 -3.750 -12.815 1.00 0.72 H new ATOM 0 HD23 LEU A 9 130.942 -3.071 -12.772 1.00 0.72 H new ATOM 140 N GLN A 10 131.376 -6.620 -11.077 1.00 0.42 N ATOM 141 CA GLN A 10 130.965 -6.784 -9.681 1.00 0.49 C ATOM 142 C GLN A 10 132.156 -6.652 -8.725 1.00 0.43 C ATOM 143 O GLN A 10 131.976 -6.360 -7.541 1.00 0.50 O ATOM 144 CB GLN A 10 130.285 -8.144 -9.487 1.00 0.60 C ATOM 145 CG GLN A 10 128.765 -8.073 -9.518 1.00 0.69 C ATOM 146 CD GLN A 10 128.164 -7.767 -8.158 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.976 -6.605 -7.797 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.855 -8.811 -7.394 1.00 0.84 N ATOM 0 H GLN A 10 131.233 -7.447 -11.657 1.00 0.42 H new ATOM 0 HA GLN A 10 130.257 -5.989 -9.447 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.625 -8.826 -10.267 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.602 -8.567 -8.534 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.456 -7.306 -10.228 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.369 -9.021 -9.881 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.027 -9.758 -7.731 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.446 -8.664 -6.471 1.00 0.84 H new ATOM 157 N GLU A 11 133.372 -6.848 -9.245 1.00 0.41 N ATOM 158 CA GLU A 11 134.583 -6.728 -8.436 1.00 0.44 C ATOM 159 C GLU A 11 134.938 -5.255 -8.207 1.00 0.40 C ATOM 160 O GLU A 11 135.653 -4.920 -7.262 1.00 0.56 O ATOM 161 CB GLU A 11 135.753 -7.452 -9.111 1.00 0.52 C ATOM 162 CG GLU A 11 136.640 -8.210 -8.136 1.00 0.63 C ATOM 163 CD GLU A 11 137.793 -8.916 -8.824 1.00 1.02 C ATOM 164 OE1 GLU A 11 137.561 -9.986 -9.427 1.00 1.64 O ATOM 165 OE2 GLU A 11 138.926 -8.397 -8.761 1.00 1.54 O ATOM 0 H GLU A 11 133.541 -7.090 -10.221 1.00 0.41 H new ATOM 0 HA GLU A 11 134.393 -7.194 -7.469 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.360 -8.150 -9.851 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.359 -6.723 -9.650 1.00 0.52 H new ATOM 0 HG2 GLU A 11 137.035 -7.516 -7.394 1.00 0.63 H new ATOM 0 HG3 GLU A 11 136.039 -8.943 -7.598 1.00 0.63 H new ATOM 172 N LEU A 12 134.417 -4.380 -9.073 1.00 0.34 N ATOM 173 CA LEU A 12 134.659 -2.945 -8.965 1.00 0.34 C ATOM 174 C LEU A 12 133.898 -2.361 -7.777 1.00 0.31 C ATOM 175 O LEU A 12 134.493 -1.730 -6.902 1.00 0.39 O ATOM 176 CB LEU A 12 134.242 -2.234 -10.257 1.00 0.36 C ATOM 177 CG LEU A 12 135.085 -1.013 -10.632 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.890 0.103 -9.615 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.557 -1.391 -10.742 1.00 0.59 C ATOM 0 H LEU A 12 133.823 -4.646 -9.858 1.00 0.34 H new ATOM 0 HA LEU A 12 135.726 -2.789 -8.807 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.285 -2.951 -11.077 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.202 -1.922 -10.161 1.00 0.36 H new ATOM 0 HG LEU A 12 134.753 -0.651 -11.605 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.497 0.963 -9.898 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.840 0.393 -9.590 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.194 -0.247 -8.628 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.140 -0.510 -11.009 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.905 -1.780 -9.785 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.680 -2.154 -11.510 1.00 0.59 H new ATOM 191 N VAL A 13 132.579 -2.575 -7.756 1.00 0.26 N ATOM 192 CA VAL A 13 131.737 -2.067 -6.674 1.00 0.26 C ATOM 193 C VAL A 13 132.260 -2.535 -5.313 1.00 0.22 C ATOM 194 O VAL A 13 132.567 -1.709 -4.455 1.00 0.24 O ATOM 195 CB VAL A 13 130.249 -2.473 -6.847 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.102 -3.966 -7.113 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.432 -2.064 -5.628 1.00 0.53 C ATOM 0 H VAL A 13 132.075 -3.095 -8.474 1.00 0.26 H new ATOM 0 HA VAL A 13 131.786 -0.979 -6.718 1.00 0.26 H new ATOM 0 HB VAL A 13 129.864 -1.942 -7.717 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.047 -4.213 -7.229 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.638 -4.228 -8.025 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.516 -4.527 -6.275 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.392 -2.358 -5.771 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.830 -2.557 -4.741 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.488 -0.983 -5.498 1.00 0.53 H new ATOM 207 N LYS A 14 132.351 -3.857 -5.117 1.00 0.24 N ATOM 208 CA LYS A 14 132.832 -4.431 -3.856 1.00 0.23 C ATOM 209 C LYS A 14 134.099 -3.739 -3.351 1.00 0.21 C ATOM 210 O LYS A 14 134.236 -3.497 -2.153 1.00 0.28 O ATOM 211 CB LYS A 14 133.100 -5.926 -4.034 1.00 0.30 C ATOM 212 CG LYS A 14 132.979 -6.728 -2.749 1.00 0.84 C ATOM 213 CD LYS A 14 132.907 -8.222 -3.031 1.00 0.68 C ATOM 214 CE LYS A 14 133.238 -9.047 -1.796 1.00 0.73 C ATOM 215 NZ LYS A 14 132.946 -10.495 -1.998 1.00 0.75 N ATOM 0 H LYS A 14 132.096 -4.551 -5.820 1.00 0.24 H new ATOM 0 HA LYS A 14 132.052 -4.277 -3.110 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.401 -6.326 -4.768 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.102 -6.060 -4.442 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.834 -6.518 -2.106 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.087 -6.415 -2.206 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.907 -8.478 -3.382 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.600 -8.474 -3.833 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.292 -8.921 -1.547 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.663 -8.676 -0.947 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.185 -11.021 -1.134 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.935 -10.619 -2.210 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.513 -10.856 -2.791 1.00 0.75 H new ATOM 229 N HIS A 15 135.021 -3.423 -4.265 1.00 0.25 N ATOM 230 CA HIS A 15 136.272 -2.754 -3.896 1.00 0.27 C ATOM 231 C HIS A 15 136.004 -1.341 -3.381 1.00 0.23 C ATOM 232 O HIS A 15 136.648 -0.883 -2.435 1.00 0.43 O ATOM 233 CB HIS A 15 137.223 -2.695 -5.096 1.00 0.33 C ATOM 234 CG HIS A 15 138.003 -3.956 -5.306 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.309 -3.970 -5.753 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.658 -5.252 -5.120 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.731 -5.220 -5.831 1.00 0.88 C ATOM 238 NE2 HIS A 15 138.748 -6.016 -5.452 1.00 0.72 N ATOM 0 H HIS A 15 134.926 -3.619 -5.262 1.00 0.25 H new ATOM 0 HA HIS A 15 136.738 -3.333 -3.099 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.646 -2.480 -5.996 1.00 0.33 H new ATOM 0 HB3 HIS A 15 137.918 -1.867 -4.958 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.702 -5.617 -4.774 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.713 -5.537 -6.150 1.00 0.88 H new ATOM 0 HE2 HIS A 15 138.792 -7.034 -5.412 1.00 0.72 H new ATOM 247 N LYS A 16 135.044 -0.660 -4.007 1.00 0.21 N ATOM 248 CA LYS A 16 134.675 0.697 -3.617 1.00 0.25 C ATOM 249 C LYS A 16 133.938 0.695 -2.277 1.00 0.32 C ATOM 250 O LYS A 16 134.235 1.506 -1.399 1.00 0.62 O ATOM 251 CB LYS A 16 133.805 1.342 -4.700 1.00 0.37 C ATOM 252 CG LYS A 16 134.561 1.654 -5.985 1.00 0.50 C ATOM 253 CD LYS A 16 133.617 2.095 -7.094 1.00 0.57 C ATOM 254 CE LYS A 16 133.099 3.506 -6.862 1.00 0.59 C ATOM 255 NZ LYS A 16 131.611 3.549 -6.801 1.00 0.66 N ATOM 0 H LYS A 16 134.506 -1.030 -4.791 1.00 0.21 H new ATOM 0 HA LYS A 16 135.588 1.281 -3.505 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.973 0.676 -4.930 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.376 2.264 -4.308 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.294 2.439 -5.796 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.114 0.772 -6.306 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.135 2.050 -8.052 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.776 1.404 -7.153 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.512 3.896 -5.932 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.448 4.157 -7.663 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.298 4.528 -6.642 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.217 3.201 -7.698 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.278 2.948 -6.020 1.00 0.66 H new ATOM 269 N GLU A 17 132.983 -0.230 -2.123 1.00 0.32 N ATOM 270 CA GLU A 17 132.207 -0.350 -0.889 1.00 0.39 C ATOM 271 C GLU A 17 133.094 -0.814 0.270 1.00 0.32 C ATOM 272 O GLU A 17 132.918 -0.369 1.406 1.00 0.40 O ATOM 273 CB GLU A 17 131.021 -1.310 -1.114 1.00 0.51 C ATOM 274 CG GLU A 17 130.780 -2.330 -0.003 1.00 0.80 C ATOM 275 CD GLU A 17 131.256 -3.724 -0.384 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.553 -4.400 -1.168 1.00 1.43 O ATOM 277 OE2 GLU A 17 132.332 -4.138 0.095 1.00 1.47 O ATOM 0 H GLU A 17 132.731 -0.908 -2.842 1.00 0.32 H new ATOM 0 HA GLU A 17 131.811 0.629 -0.619 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.115 -0.717 -1.241 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.184 -1.848 -2.048 1.00 0.51 H new ATOM 0 HG2 GLU A 17 131.296 -2.007 0.901 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.716 -2.364 0.232 1.00 0.80 H new ATOM 284 N LEU A 18 134.061 -1.689 -0.024 1.00 0.32 N ATOM 285 CA LEU A 18 134.982 -2.181 1.002 1.00 0.34 C ATOM 286 C LEU A 18 135.784 -1.021 1.584 1.00 0.33 C ATOM 287 O LEU A 18 135.949 -0.915 2.800 1.00 0.66 O ATOM 288 CB LEU A 18 135.938 -3.233 0.427 1.00 0.53 C ATOM 289 CG LEU A 18 135.455 -4.682 0.530 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.429 -5.617 -0.171 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.272 -5.086 1.989 1.00 0.79 C ATOM 0 H LEU A 18 134.225 -2.068 -0.957 1.00 0.32 H new ATOM 0 HA LEU A 18 134.391 -2.647 1.791 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.118 -3.001 -0.623 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.896 -3.149 0.941 1.00 0.53 H new ATOM 0 HG LEU A 18 134.488 -4.760 0.034 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.071 -6.643 -0.089 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.504 -5.342 -1.223 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.411 -5.536 0.296 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.928 -6.119 2.040 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.223 -4.993 2.514 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.534 -4.435 2.457 1.00 0.79 H new ATOM 303 N LEU A 19 136.268 -0.145 0.699 1.00 0.43 N ATOM 304 CA LEU A 19 137.041 1.025 1.109 1.00 0.44 C ATOM 305 C LEU A 19 136.166 2.004 1.897 1.00 0.30 C ATOM 306 O LEU A 19 136.646 2.670 2.816 1.00 0.45 O ATOM 307 CB LEU A 19 137.643 1.727 -0.114 1.00 0.57 C ATOM 308 CG LEU A 19 139.168 1.868 -0.102 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.689 2.070 -1.516 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.596 3.020 0.800 1.00 0.94 C ATOM 0 H LEU A 19 136.136 -0.227 -0.309 1.00 0.43 H new ATOM 0 HA LEU A 19 137.851 0.686 1.754 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.352 1.176 -1.008 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.203 2.721 -0.195 1.00 0.57 H new ATOM 0 HG LEU A 19 139.597 0.949 0.297 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.774 2.169 -1.493 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.416 1.212 -2.131 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.251 2.974 -1.939 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.683 3.102 0.794 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.160 3.950 0.435 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.252 2.833 1.817 1.00 0.94 H new ATOM 322 N ARG A 20 134.880 2.087 1.532 1.00 0.32 N ATOM 323 CA ARG A 20 133.942 2.983 2.209 1.00 0.50 C ATOM 324 C ARG A 20 133.754 2.570 3.662 1.00 0.40 C ATOM 325 O ARG A 20 134.048 3.354 4.566 1.00 0.47 O ATOM 326 CB ARG A 20 132.592 2.998 1.482 1.00 0.78 C ATOM 327 CG ARG A 20 132.111 4.396 1.120 1.00 0.89 C ATOM 328 CD ARG A 20 131.170 4.373 -0.075 1.00 0.98 C ATOM 329 NE ARG A 20 131.464 5.446 -1.030 1.00 1.06 N ATOM 330 CZ ARG A 20 130.554 6.310 -1.500 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.278 6.225 -1.130 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.922 7.260 -2.355 1.00 1.60 N ATOM 0 H ARG A 20 134.469 1.544 0.773 1.00 0.32 H new ATOM 0 HA ARG A 20 134.360 3.989 2.189 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.672 2.403 0.572 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.844 2.517 2.112 1.00 0.78 H new ATOM 0 HG2 ARG A 20 131.602 4.839 1.976 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.969 5.030 0.896 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.248 3.409 -0.578 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.141 4.469 0.272 1.00 0.98 H new ATOM 0 HE ARG A 20 132.425 5.541 -1.358 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.983 5.496 -0.481 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.596 6.889 -1.495 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.895 7.330 -2.652 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.231 7.919 -2.714 1.00 1.60 H new ATOM 346 N ARG A 21 133.266 1.346 3.898 1.00 0.36 N ATOM 347 CA ARG A 21 133.054 0.855 5.260 1.00 0.37 C ATOM 348 C ARG A 21 134.306 1.039 6.116 1.00 0.35 C ATOM 349 O ARG A 21 134.205 1.431 7.277 1.00 0.49 O ATOM 350 CB ARG A 21 132.655 -0.624 5.234 1.00 0.47 C ATOM 351 CG ARG A 21 132.081 -1.132 6.550 1.00 0.71 C ATOM 352 CD ARG A 21 132.025 -2.653 6.580 1.00 0.94 C ATOM 353 NE ARG A 21 131.366 -3.160 7.785 1.00 0.95 N ATOM 354 CZ ARG A 21 131.389 -4.442 8.171 1.00 1.19 C ATOM 355 NH1 ARG A 21 132.045 -5.357 7.459 1.00 2.03 N ATOM 356 NH2 ARG A 21 130.750 -4.809 9.276 1.00 1.50 N ATOM 0 H ARG A 21 133.012 0.682 3.166 1.00 0.36 H new ATOM 0 HA ARG A 21 132.247 1.439 5.704 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.919 -0.778 4.445 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.529 -1.221 4.976 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.692 -0.772 7.378 1.00 0.71 H new ATOM 0 HG3 ARG A 21 131.079 -0.726 6.693 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.493 -3.012 5.699 1.00 0.94 H new ATOM 0 HD3 ARG A 21 133.038 -3.053 6.526 1.00 0.94 H new ATOM 0 HE ARG A 21 130.857 -2.495 8.367 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.538 -5.084 6.609 1.00 2.03 H new ATOM 0 HH12 ARG A 21 132.055 -6.330 7.764 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.244 -4.115 9.827 1.00 1.50 H new ATOM 0 HH22 ARG A 21 130.765 -5.784 9.574 1.00 1.50 H new ATOM 370 N LYS A 22 135.486 0.764 5.534 1.00 0.33 N ATOM 371 CA LYS A 22 136.755 0.916 6.255 1.00 0.41 C ATOM 372 C LYS A 22 136.754 2.216 7.062 1.00 0.34 C ATOM 373 O LYS A 22 137.113 2.224 8.240 1.00 0.36 O ATOM 374 CB LYS A 22 137.940 0.896 5.284 1.00 0.56 C ATOM 375 CG LYS A 22 139.193 0.268 5.874 1.00 0.77 C ATOM 376 CD LYS A 22 140.151 -0.205 4.789 1.00 0.95 C ATOM 377 CE LYS A 22 141.321 0.752 4.629 1.00 0.76 C ATOM 378 NZ LYS A 22 142.523 0.291 5.379 1.00 0.71 N ATOM 0 H LYS A 22 135.584 0.438 4.573 1.00 0.33 H new ATOM 0 HA LYS A 22 136.861 0.075 6.941 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.655 0.347 4.386 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.165 1.917 4.976 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.697 0.993 6.513 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.914 -0.575 6.506 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.523 -1.199 5.038 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.617 -0.292 3.842 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.568 0.850 3.572 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.031 1.742 4.981 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.298 0.971 5.244 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.295 0.222 6.391 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.816 -0.642 5.026 1.00 0.71 H new ATOM 392 N ASP A 23 136.318 3.305 6.419 1.00 0.34 N ATOM 393 CA ASP A 23 136.234 4.612 7.069 1.00 0.32 C ATOM 394 C ASP A 23 135.082 4.633 8.080 1.00 0.29 C ATOM 395 O ASP A 23 135.290 4.882 9.266 1.00 0.34 O ATOM 396 CB ASP A 23 136.042 5.713 6.019 1.00 0.37 C ATOM 397 CG ASP A 23 137.361 6.283 5.536 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.856 7.247 6.158 1.00 1.15 O ATOM 399 OD2 ASP A 23 137.905 5.758 4.541 1.00 1.17 O ATOM 0 H ASP A 23 136.017 3.304 5.444 1.00 0.34 H new ATOM 0 HA ASP A 23 137.166 4.797 7.603 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.490 5.310 5.170 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.436 6.514 6.442 1.00 0.37 H new ATOM 404 N THR A 24 133.867 4.378 7.593 1.00 0.27 N ATOM 405 CA THR A 24 132.667 4.364 8.440 1.00 0.28 C ATOM 406 C THR A 24 132.891 3.575 9.735 1.00 0.27 C ATOM 407 O THR A 24 132.421 3.978 10.800 1.00 0.32 O ATOM 408 CB THR A 24 131.486 3.765 7.669 1.00 0.31 C ATOM 409 OG1 THR A 24 131.285 4.447 6.442 1.00 0.52 O ATOM 410 CG2 THR A 24 130.178 3.801 8.435 1.00 0.53 C ATOM 0 H THR A 24 133.684 4.177 6.610 1.00 0.27 H new ATOM 0 HA THR A 24 132.445 5.396 8.711 1.00 0.28 H new ATOM 0 HB THR A 24 131.758 2.723 7.502 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.528 4.047 5.966 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.388 3.360 7.827 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.282 3.234 9.360 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.922 4.834 8.669 1.00 0.53 H new ATOM 418 N HIS A 25 133.599 2.446 9.636 1.00 0.27 N ATOM 419 CA HIS A 25 133.873 1.601 10.799 1.00 0.31 C ATOM 420 C HIS A 25 134.764 2.317 11.808 1.00 0.33 C ATOM 421 O HIS A 25 134.415 2.408 12.984 1.00 0.43 O ATOM 422 CB HIS A 25 134.513 0.277 10.368 1.00 0.37 C ATOM 423 CG HIS A 25 134.282 -0.855 11.328 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.142 -0.981 12.100 1.00 0.92 N ATOM 425 CD2 HIS A 25 135.062 -1.917 11.641 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.235 -2.070 12.845 1.00 0.79 C ATOM 427 NE2 HIS A 25 134.390 -2.655 12.584 1.00 0.75 N ATOM 0 H HIS A 25 133.992 2.097 8.762 1.00 0.27 H new ATOM 0 HA HIS A 25 132.920 1.387 11.283 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.120 -0.003 9.391 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.586 0.426 10.249 1.00 0.37 H new ATOM 0 HD1 HIS A 25 132.353 -0.335 12.096 1.00 0.92 H new ATOM 0 HD2 HIS A 25 136.033 -2.142 11.226 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.493 -2.421 13.547 1.00 0.79 H new ATOM 436 N ILE A 26 135.908 2.840 11.362 1.00 0.31 N ATOM 437 CA ILE A 26 136.794 3.555 12.279 1.00 0.35 C ATOM 438 C ILE A 26 136.049 4.749 12.883 1.00 0.34 C ATOM 439 O ILE A 26 136.104 4.974 14.094 1.00 0.46 O ATOM 440 CB ILE A 26 138.113 4.024 11.614 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.845 4.822 10.335 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.008 2.828 11.316 1.00 0.56 C ATOM 443 CD1 ILE A 26 139.088 5.425 9.725 1.00 0.68 C ATOM 0 H ILE A 26 136.236 2.784 10.398 1.00 0.31 H new ATOM 0 HA ILE A 26 137.080 2.853 13.062 1.00 0.35 H new ATOM 0 HB ILE A 26 138.624 4.684 12.315 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.371 4.169 9.602 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.136 5.620 10.557 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.931 3.172 10.849 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.243 2.309 12.245 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.491 2.146 10.640 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.820 5.975 8.823 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.551 6.104 10.440 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.790 4.631 9.471 1.00 0.68 H new ATOM 455 N ARG A 27 135.335 5.498 12.030 1.00 0.29 N ATOM 456 CA ARG A 27 134.557 6.656 12.468 1.00 0.35 C ATOM 457 C ARG A 27 133.548 6.266 13.551 1.00 0.34 C ATOM 458 O ARG A 27 133.408 6.974 14.551 1.00 0.39 O ATOM 459 CB ARG A 27 133.831 7.289 11.276 1.00 0.44 C ATOM 460 CG ARG A 27 133.192 8.632 11.593 1.00 0.52 C ATOM 461 CD ARG A 27 131.713 8.483 11.923 1.00 0.81 C ATOM 462 NE ARG A 27 130.965 9.712 11.664 1.00 0.91 N ATOM 463 CZ ARG A 27 129.824 10.043 12.277 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.283 9.236 13.190 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.220 11.186 11.972 1.00 1.68 N ATOM 0 H ARG A 27 135.283 5.317 11.028 1.00 0.29 H new ATOM 0 HA ARG A 27 135.248 7.384 12.893 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.539 7.418 10.457 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.060 6.603 10.926 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.709 9.092 12.435 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.310 9.302 10.742 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.290 7.671 11.332 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.602 8.206 12.971 1.00 0.81 H new ATOM 0 HE ARG A 27 131.338 10.360 10.970 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.740 8.356 13.427 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.412 9.499 13.651 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.627 11.807 11.273 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.349 11.443 12.437 1.00 1.68 H new ATOM 479 N GLU A 28 132.855 5.136 13.360 1.00 0.33 N ATOM 480 CA GLU A 28 131.882 4.674 14.349 1.00 0.38 C ATOM 481 C GLU A 28 132.597 4.341 15.660 1.00 0.37 C ATOM 482 O GLU A 28 132.136 4.722 16.738 1.00 0.47 O ATOM 483 CB GLU A 28 131.068 3.477 13.821 1.00 0.48 C ATOM 484 CG GLU A 28 131.768 2.128 13.918 1.00 0.81 C ATOM 485 CD GLU A 28 130.792 0.971 14.033 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.283 0.731 15.148 1.00 1.85 O ATOM 487 OE2 GLU A 28 130.540 0.305 13.006 1.00 1.66 O ATOM 0 H GLU A 28 132.950 4.535 12.541 1.00 0.33 H new ATOM 0 HA GLU A 28 131.168 5.475 14.540 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.130 3.423 14.374 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.813 3.663 12.778 1.00 0.48 H new ATOM 0 HG2 GLU A 28 132.395 1.984 13.038 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.430 2.128 14.784 1.00 0.81 H new ATOM 494 N LEU A 29 133.732 3.636 15.560 1.00 0.34 N ATOM 495 CA LEU A 29 134.521 3.265 16.734 1.00 0.38 C ATOM 496 C LEU A 29 135.102 4.503 17.432 1.00 0.42 C ATOM 497 O LEU A 29 135.581 4.409 18.562 1.00 0.80 O ATOM 498 CB LEU A 29 135.652 2.310 16.335 1.00 0.48 C ATOM 499 CG LEU A 29 135.710 1.001 17.127 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.269 -0.166 16.256 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.114 0.766 17.671 1.00 0.58 C ATOM 0 H LEU A 29 134.122 3.312 14.675 1.00 0.34 H new ATOM 0 HA LEU A 29 133.856 2.761 17.436 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.548 2.071 15.277 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.603 2.830 16.453 1.00 0.48 H new ATOM 0 HG LEU A 29 135.026 1.077 17.972 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.316 -1.089 16.834 1.00 0.84 H new ATOM 0 HD12 LEU A 29 134.246 -0.001 15.918 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.929 -0.245 15.392 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.135 -0.169 18.231 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.820 0.709 16.843 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.392 1.589 18.329 1.00 0.58 H new ATOM 513 N GLU A 30 135.034 5.665 16.767 1.00 0.42 N ATOM 514 CA GLU A 30 135.528 6.908 17.352 1.00 0.46 C ATOM 515 C GLU A 30 134.534 7.392 18.405 1.00 0.46 C ATOM 516 O GLU A 30 134.885 7.552 19.574 1.00 0.61 O ATOM 517 CB GLU A 30 135.737 7.982 16.275 1.00 0.51 C ATOM 518 CG GLU A 30 137.108 8.651 16.328 1.00 0.57 C ATOM 519 CD GLU A 30 137.511 9.070 17.732 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.035 10.127 18.195 1.00 1.24 O ATOM 521 OE2 GLU A 30 138.302 8.340 18.367 1.00 1.33 O ATOM 0 H GLU A 30 134.643 5.765 15.830 1.00 0.42 H new ATOM 0 HA GLU A 30 136.495 6.721 17.819 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.602 7.529 15.293 1.00 0.51 H new ATOM 0 HB3 GLU A 30 134.966 8.745 16.382 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.856 7.965 15.931 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.103 9.528 15.680 1.00 0.57 H new ATOM 528 N ASP A 31 133.283 7.602 17.977 1.00 0.43 N ATOM 529 CA ASP A 31 132.218 8.042 18.878 1.00 0.58 C ATOM 530 C ASP A 31 132.068 7.074 20.055 1.00 0.59 C ATOM 531 O ASP A 31 131.659 7.472 21.147 1.00 0.78 O ATOM 532 CB ASP A 31 130.892 8.169 18.120 1.00 0.71 C ATOM 533 CG ASP A 31 130.605 9.601 17.699 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.284 10.429 18.581 1.00 1.65 O ATOM 535 OD2 ASP A 31 130.708 9.897 16.488 1.00 1.73 O ATOM 0 H ASP A 31 132.986 7.473 17.010 1.00 0.43 H new ATOM 0 HA ASP A 31 132.489 9.022 19.272 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.918 7.531 17.237 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.079 7.808 18.750 1.00 0.71 H new ATOM 540 N TYR A 32 132.424 5.805 19.831 1.00 0.51 N ATOM 541 CA TYR A 32 132.356 4.786 20.877 1.00 0.56 C ATOM 542 C TYR A 32 133.440 5.032 21.926 1.00 0.55 C ATOM 543 O TYR A 32 133.205 4.873 23.125 1.00 0.64 O ATOM 544 CB TYR A 32 132.506 3.387 20.268 1.00 0.61 C ATOM 545 CG TYR A 32 131.436 2.414 20.712 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.118 2.829 20.884 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.740 1.079 20.954 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.138 1.945 21.285 1.00 1.38 C ATOM 549 CE2 TYR A 32 130.764 0.187 21.353 1.00 1.19 C ATOM 550 CZ TYR A 32 129.464 0.624 21.518 1.00 1.23 C ATOM 551 OH TYR A 32 128.488 -0.262 21.914 1.00 1.55 O ATOM 0 H TYR A 32 132.762 5.461 18.932 1.00 0.51 H new ATOM 0 HA TYR A 32 131.382 4.848 21.363 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.482 3.469 19.181 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.483 2.986 20.536 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.859 3.861 20.700 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.756 0.734 20.828 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.121 2.285 21.416 1.00 1.38 H new ATOM 0 HE2 TYR A 32 131.016 -0.847 21.535 1.00 1.19 H new ATOM 0 HH TYR A 32 128.883 -1.151 22.034 1.00 1.55 H new ATOM 561 N ILE A 33 134.622 5.447 21.460 1.00 0.53 N ATOM 562 CA ILE A 33 135.748 5.752 22.343 1.00 0.62 C ATOM 563 C ILE A 33 135.622 7.171 22.921 1.00 0.58 C ATOM 564 O ILE A 33 136.377 7.553 23.817 1.00 0.77 O ATOM 565 CB ILE A 33 137.097 5.614 21.596 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.267 4.182 21.077 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.262 5.996 22.500 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.256 4.054 19.938 1.00 0.85 C ATOM 0 H ILE A 33 134.823 5.580 20.469 1.00 0.53 H new ATOM 0 HA ILE A 33 135.725 5.032 23.161 1.00 0.62 H new ATOM 0 HB ILE A 33 137.092 6.298 20.747 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.591 3.544 21.899 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.298 3.809 20.747 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.198 5.890 21.951 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.146 7.030 22.825 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.276 5.341 23.371 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.320 3.011 19.627 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.924 4.663 19.098 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.237 4.395 20.268 1.00 0.85 H new ATOM 580 N ASP A 34 134.650 7.943 22.413 1.00 0.49 N ATOM 581 CA ASP A 34 134.419 9.307 22.887 1.00 0.54 C ATOM 582 C ASP A 34 133.873 9.297 24.312 1.00 0.44 C ATOM 583 O ASP A 34 134.164 10.195 25.091 1.00 0.47 O ATOM 584 CB ASP A 34 133.452 10.052 21.954 1.00 0.75 C ATOM 585 CG ASP A 34 134.101 10.501 20.651 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.335 10.352 20.508 1.00 1.42 O ATOM 587 OD2 ASP A 34 133.372 11.008 19.772 1.00 1.49 O ATOM 0 H ASP A 34 134.014 7.642 21.675 1.00 0.49 H new ATOM 0 HA ASP A 34 135.375 9.831 22.884 1.00 0.54 H new ATOM 0 HB2 ASP A 34 132.606 9.404 21.726 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.055 10.924 22.474 1.00 0.75 H new ATOM 592 N ASN A 35 133.092 8.267 24.647 1.00 0.53 N ATOM 593 CA ASN A 35 132.512 8.127 25.985 1.00 0.57 C ATOM 594 C ASN A 35 133.544 8.439 27.070 1.00 0.47 C ATOM 595 O ASN A 35 133.218 9.061 28.082 1.00 0.58 O ATOM 596 CB ASN A 35 131.962 6.711 26.180 1.00 0.74 C ATOM 597 CG ASN A 35 130.672 6.478 25.415 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.672 7.163 25.636 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.687 5.505 24.507 1.00 1.32 N ATOM 0 H ASN A 35 132.846 7.513 24.005 1.00 0.53 H new ATOM 0 HA ASN A 35 131.696 8.844 26.073 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.709 5.987 25.855 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.788 6.535 27.242 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.849 5.303 23.962 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.537 4.962 24.356 1.00 1.32 H new ATOM 606 N LEU A 36 134.792 8.018 26.843 1.00 0.42 N ATOM 607 CA LEU A 36 135.874 8.270 27.792 1.00 0.47 C ATOM 608 C LEU A 36 136.184 9.766 27.868 1.00 0.42 C ATOM 609 O LEU A 36 136.323 10.325 28.958 1.00 0.53 O ATOM 610 CB LEU A 36 137.134 7.494 27.389 1.00 0.66 C ATOM 611 CG LEU A 36 136.940 5.986 27.200 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.103 5.389 26.419 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.787 5.291 28.545 1.00 1.66 C ATOM 0 H LEU A 36 135.075 7.502 26.010 1.00 0.42 H new ATOM 0 HA LEU A 36 135.551 7.929 28.775 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.518 7.914 26.459 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.898 7.653 28.150 1.00 0.66 H new ATOM 0 HG LEU A 36 136.026 5.829 26.628 1.00 0.85 H new ATOM 0 HD11 LEU A 36 137.946 4.317 26.295 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.164 5.862 25.439 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.032 5.559 26.963 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.650 4.221 28.388 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.681 5.459 29.145 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.919 5.695 29.067 1.00 1.66 H new ATOM 625 N LEU A 37 136.277 10.408 26.699 1.00 0.36 N ATOM 626 CA LEU A 37 136.554 11.841 26.618 1.00 0.40 C ATOM 627 C LEU A 37 135.409 12.576 25.903 1.00 0.32 C ATOM 628 O LEU A 37 135.610 13.218 24.868 1.00 0.42 O ATOM 629 CB LEU A 37 137.885 12.081 25.891 1.00 0.56 C ATOM 630 CG LEU A 37 138.002 11.436 24.504 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.719 12.368 23.539 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.727 10.099 24.593 1.00 0.63 C ATOM 0 H LEU A 37 136.163 9.953 25.793 1.00 0.36 H new ATOM 0 HA LEU A 37 136.631 12.237 27.630 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.034 13.156 25.787 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.694 11.706 26.517 1.00 0.56 H new ATOM 0 HG LEU A 37 136.996 11.256 24.125 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.792 11.893 22.561 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.160 13.299 23.449 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.720 12.581 23.915 1.00 0.73 H new ATOM 0 HD21 LEU A 37 138.800 9.658 23.599 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.728 10.254 24.995 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.173 9.427 25.248 1.00 0.63 H new ATOM 644 N VAL A 38 134.204 12.461 26.472 1.00 0.29 N ATOM 645 CA VAL A 38 132.997 13.090 25.924 1.00 0.41 C ATOM 646 C VAL A 38 131.921 13.207 27.011 1.00 0.38 C ATOM 647 O VAL A 38 132.151 12.816 28.158 1.00 0.61 O ATOM 648 CB VAL A 38 132.444 12.318 24.699 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.455 11.234 25.117 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.808 13.279 23.703 1.00 0.99 C ATOM 0 H VAL A 38 134.038 11.929 27.326 1.00 0.29 H new ATOM 0 HA VAL A 38 133.273 14.087 25.582 1.00 0.41 H new ATOM 0 HB VAL A 38 133.284 11.822 24.213 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.089 10.714 24.231 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.952 10.522 25.776 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.616 11.690 25.643 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.426 12.718 22.850 1.00 0.99 H new ATOM 0 HG22 VAL A 38 130.988 13.812 24.184 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.555 13.996 23.361 1.00 0.99 H new ATOM 660 N ARG A 39 130.739 13.721 26.655 1.00 0.44 N ATOM 661 CA ARG A 39 129.646 13.851 27.615 1.00 0.47 C ATOM 662 C ARG A 39 129.037 12.479 27.910 1.00 0.53 C ATOM 663 O ARG A 39 128.420 11.864 27.038 1.00 0.86 O ATOM 664 CB ARG A 39 128.571 14.804 27.073 1.00 0.59 C ATOM 665 CG ARG A 39 127.259 14.770 27.849 1.00 0.75 C ATOM 666 CD ARG A 39 127.321 15.635 29.100 1.00 0.97 C ATOM 667 NE ARG A 39 126.960 17.027 28.823 1.00 0.93 N ATOM 668 CZ ARG A 39 126.741 17.946 29.767 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.841 17.630 31.056 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.422 19.189 29.420 1.00 1.48 N ATOM 0 H ARG A 39 130.519 14.051 25.715 1.00 0.44 H new ATOM 0 HA ARG A 39 130.043 14.265 28.542 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.962 15.821 27.087 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.371 14.554 26.031 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.448 15.116 27.208 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.028 13.742 28.129 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.648 15.229 29.855 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.327 15.598 29.517 1.00 0.97 H new ATOM 0 HE ARG A 39 126.870 17.313 27.848 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.087 16.679 31.330 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.672 18.339 31.770 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.345 19.439 28.434 1.00 1.48 H new ATOM 0 HH22 ARG A 39 126.254 19.892 30.140 1.00 1.48 H new ATOM 684 N VAL A 40 129.219 12.004 29.142 1.00 0.46 N ATOM 685 CA VAL A 40 128.692 10.701 29.549 1.00 0.53 C ATOM 686 C VAL A 40 127.262 10.818 30.075 1.00 0.53 C ATOM 687 O VAL A 40 126.869 11.858 30.610 1.00 0.66 O ATOM 688 CB VAL A 40 129.575 10.031 30.626 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.917 9.620 30.037 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.771 10.950 31.825 1.00 0.78 C ATOM 0 H VAL A 40 129.726 12.501 29.874 1.00 0.46 H new ATOM 0 HA VAL A 40 128.697 10.076 28.656 1.00 0.53 H new ATOM 0 HB VAL A 40 129.062 9.134 30.973 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.525 9.150 30.810 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.756 8.914 29.223 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.432 10.502 29.656 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.396 10.452 32.566 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.255 11.872 31.502 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.802 11.185 32.266 1.00 0.78 H new ATOM 700 N MET A 41 126.491 9.741 29.920 1.00 0.53 N ATOM 701 CA MET A 41 125.103 9.711 30.377 1.00 0.60 C ATOM 702 C MET A 41 124.846 8.492 31.258 1.00 0.86 C ATOM 703 O MET A 41 125.303 8.430 32.400 1.00 1.20 O ATOM 704 CB MET A 41 124.143 9.704 29.181 1.00 0.75 C ATOM 705 CG MET A 41 124.408 8.586 28.182 1.00 0.56 C ATOM 706 SD MET A 41 122.981 8.236 27.137 1.00 0.67 S ATOM 707 CE MET A 41 123.045 9.620 26.002 1.00 0.54 C ATOM 0 H MET A 41 126.806 8.876 29.480 1.00 0.53 H new ATOM 0 HA MET A 41 124.925 10.609 30.968 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.121 9.614 29.549 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.213 10.662 28.666 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.256 8.859 27.553 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.689 7.681 28.721 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.223 9.545 25.290 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.958 10.552 26.560 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.993 9.606 25.464 1.00 0.54 H new TER 717 MET A 41 ATOM 718 N GLY B 1 135.235 4.748 -27.234 1.00 0.61 N ATOM 719 CA GLY B 1 136.415 4.068 -27.838 1.00 0.61 C ATOM 720 C GLY B 1 136.787 2.799 -27.089 1.00 0.52 C ATOM 721 O GLY B 1 136.525 1.694 -27.566 1.00 0.60 O ATOM 0 H1 GLY B 1 135.015 5.608 -27.775 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.416 4.107 -27.256 1.00 0.61 H new ATOM 0 H3 GLY B 1 135.448 5.004 -26.249 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.200 3.825 -28.878 1.00 0.61 H new ATOM 0 HA3 GLY B 1 137.265 4.750 -27.839 1.00 0.61 H new ATOM 727 N SER B 2 137.392 2.963 -25.909 1.00 0.50 N ATOM 728 CA SER B 2 137.799 1.825 -25.078 1.00 0.49 C ATOM 729 C SER B 2 137.033 1.792 -23.754 1.00 0.47 C ATOM 730 O SER B 2 137.538 1.281 -22.751 1.00 0.63 O ATOM 731 CB SER B 2 139.304 1.876 -24.811 1.00 0.55 C ATOM 732 OG SER B 2 140.036 1.954 -26.024 1.00 0.67 O ATOM 0 H SER B 2 137.611 3.874 -25.507 1.00 0.50 H new ATOM 0 HA SER B 2 137.561 0.913 -25.626 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.537 2.738 -24.186 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.608 0.989 -24.256 1.00 0.55 H new ATOM 0 HG SER B 2 140.995 1.987 -25.826 1.00 0.67 H new ATOM 738 N LEU B 3 135.803 2.310 -23.763 1.00 0.48 N ATOM 739 CA LEU B 3 134.958 2.306 -22.572 1.00 0.55 C ATOM 740 C LEU B 3 134.209 0.976 -22.494 1.00 0.65 C ATOM 741 O LEU B 3 132.976 0.933 -22.483 1.00 1.02 O ATOM 742 CB LEU B 3 133.975 3.482 -22.613 1.00 0.62 C ATOM 743 CG LEU B 3 134.529 4.801 -22.075 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.297 5.526 -23.166 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.407 5.676 -21.535 1.00 0.76 C ATOM 0 H LEU B 3 135.372 2.737 -24.583 1.00 0.48 H new ATOM 0 HA LEU B 3 135.579 2.419 -21.683 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.654 3.633 -23.644 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.088 3.216 -22.038 1.00 0.62 H new ATOM 0 HG LEU B 3 135.211 4.583 -21.253 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.688 6.465 -22.773 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.124 4.902 -23.505 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.631 5.733 -24.004 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.824 6.610 -21.157 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.698 5.892 -22.334 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.895 5.154 -20.727 1.00 0.76 H new ATOM 757 N THR B 4 134.981 -0.110 -22.458 1.00 0.46 N ATOM 758 CA THR B 4 134.446 -1.465 -22.408 1.00 0.55 C ATOM 759 C THR B 4 135.302 -2.323 -21.468 1.00 0.42 C ATOM 760 O THR B 4 135.971 -1.792 -20.585 1.00 0.43 O ATOM 761 CB THR B 4 134.410 -2.068 -23.823 1.00 0.72 C ATOM 762 OG1 THR B 4 135.708 -2.098 -24.392 1.00 0.70 O ATOM 763 CG2 THR B 4 133.508 -1.315 -24.786 1.00 0.90 C ATOM 0 H THR B 4 136.000 -0.071 -22.463 1.00 0.46 H new ATOM 0 HA THR B 4 133.427 -1.440 -22.022 1.00 0.55 H new ATOM 0 HB THR B 4 134.009 -3.073 -23.689 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.662 -2.487 -25.291 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.534 -1.799 -25.763 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.486 -1.319 -24.406 1.00 0.90 H new ATOM 0 HG23 THR B 4 133.856 -0.286 -24.881 1.00 0.90 H new ATOM 771 N TYR B 5 135.246 -3.645 -21.633 1.00 0.50 N ATOM 772 CA TYR B 5 135.991 -4.588 -20.789 1.00 0.45 C ATOM 773 C TYR B 5 137.410 -4.118 -20.435 1.00 0.41 C ATOM 774 O TYR B 5 137.837 -4.274 -19.291 1.00 0.46 O ATOM 775 CB TYR B 5 136.055 -5.951 -21.482 1.00 0.57 C ATOM 776 CG TYR B 5 136.716 -7.037 -20.655 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.208 -7.411 -19.414 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.854 -7.682 -21.117 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.819 -8.396 -18.660 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.470 -8.669 -20.371 1.00 0.92 C ATOM 781 CZ TYR B 5 137.949 -9.022 -19.143 1.00 0.67 C ATOM 782 OH TYR B 5 138.561 -10.007 -18.394 1.00 0.84 O ATOM 0 H TYR B 5 134.684 -4.095 -22.355 1.00 0.50 H new ATOM 0 HA TYR B 5 135.449 -4.656 -19.846 1.00 0.45 H new ATOM 0 HB2 TYR B 5 135.042 -6.267 -21.733 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.598 -5.844 -22.421 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.322 -6.924 -19.034 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.266 -7.408 -22.077 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.414 -8.674 -17.698 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.355 -9.161 -20.747 1.00 0.92 H new ATOM 0 HH TYR B 5 139.343 -10.347 -18.877 1.00 0.84 H new ATOM 792 N GLU B 6 138.145 -3.556 -21.401 1.00 0.49 N ATOM 793 CA GLU B 6 139.514 -3.090 -21.148 1.00 0.50 C ATOM 794 C GLU B 6 139.547 -1.836 -20.268 1.00 0.38 C ATOM 795 O GLU B 6 140.585 -1.510 -19.691 1.00 0.44 O ATOM 796 CB GLU B 6 140.230 -2.807 -22.473 1.00 0.62 C ATOM 797 CG GLU B 6 141.378 -3.758 -22.759 1.00 0.68 C ATOM 798 CD GLU B 6 142.021 -3.501 -24.108 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.963 -2.682 -24.170 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.582 -4.116 -25.102 1.00 1.14 O ATOM 0 H GLU B 6 137.819 -3.413 -22.357 1.00 0.49 H new ATOM 0 HA GLU B 6 140.029 -3.886 -20.611 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.508 -2.868 -23.287 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.610 -1.786 -22.460 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.131 -3.660 -21.977 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.013 -4.784 -22.723 1.00 0.68 H new ATOM 807 N GLU B 7 138.410 -1.147 -20.150 1.00 0.32 N ATOM 808 CA GLU B 7 138.327 0.054 -19.321 1.00 0.29 C ATOM 809 C GLU B 7 138.234 -0.320 -17.845 1.00 0.27 C ATOM 810 O GLU B 7 138.947 0.242 -17.011 1.00 0.43 O ATOM 811 CB GLU B 7 137.121 0.910 -19.718 1.00 0.43 C ATOM 812 CG GLU B 7 137.386 2.407 -19.648 1.00 0.57 C ATOM 813 CD GLU B 7 136.967 3.012 -18.320 1.00 0.72 C ATOM 814 OE1 GLU B 7 137.782 2.991 -17.373 1.00 0.80 O ATOM 815 OE2 GLU B 7 135.823 3.504 -18.227 1.00 1.00 O ATOM 0 H GLU B 7 137.539 -1.400 -20.616 1.00 0.32 H new ATOM 0 HA GLU B 7 139.234 0.636 -19.483 1.00 0.29 H new ATOM 0 HB2 GLU B 7 136.820 0.650 -20.733 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.283 0.667 -19.065 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.448 2.592 -19.809 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.850 2.905 -20.456 1.00 0.57 H new ATOM 822 N VAL B 8 137.361 -1.280 -17.529 1.00 0.35 N ATOM 823 CA VAL B 8 137.184 -1.738 -16.155 1.00 0.37 C ATOM 824 C VAL B 8 138.367 -2.598 -15.706 1.00 0.28 C ATOM 825 O VAL B 8 138.753 -2.567 -14.536 1.00 0.40 O ATOM 826 CB VAL B 8 135.867 -2.536 -15.995 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.910 -3.834 -16.792 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.578 -2.814 -14.527 1.00 0.78 C ATOM 0 H VAL B 8 136.767 -1.754 -18.209 1.00 0.35 H new ATOM 0 HA VAL B 8 137.133 -0.852 -15.523 1.00 0.37 H new ATOM 0 HB VAL B 8 135.057 -1.925 -16.393 1.00 0.54 H new ATOM 0 HG11 VAL B 8 134.972 -4.373 -16.660 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.053 -3.608 -17.849 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.736 -4.451 -16.438 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.648 -3.376 -14.439 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.395 -3.395 -14.099 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.484 -1.870 -13.990 1.00 0.78 H new ATOM 838 N LEU B 9 138.933 -3.370 -16.641 1.00 0.35 N ATOM 839 CA LEU B 9 140.070 -4.241 -16.339 1.00 0.49 C ATOM 840 C LEU B 9 141.213 -3.446 -15.711 1.00 0.52 C ATOM 841 O LEU B 9 141.641 -3.747 -14.596 1.00 0.74 O ATOM 842 CB LEU B 9 140.562 -4.957 -17.603 1.00 0.65 C ATOM 843 CG LEU B 9 140.855 -6.452 -17.433 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.217 -7.076 -18.772 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.975 -6.672 -16.423 1.00 0.76 C ATOM 0 H LEU B 9 138.621 -3.408 -17.611 1.00 0.35 H new ATOM 0 HA LEU B 9 139.732 -4.991 -15.623 1.00 0.49 H new ATOM 0 HB2 LEU B 9 139.812 -4.837 -18.385 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.469 -4.463 -17.952 1.00 0.65 H new ATOM 0 HG LEU B 9 139.955 -6.936 -17.055 1.00 0.65 H new ATOM 0 HD11 LEU B 9 141.422 -8.138 -18.635 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.386 -6.954 -19.467 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.102 -6.584 -19.175 1.00 0.85 H new ATOM 0 HD21 LEU B 9 142.166 -7.740 -16.318 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.880 -6.174 -16.769 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.681 -6.260 -15.458 1.00 0.76 H new ATOM 857 N GLN B 10 141.698 -2.424 -16.427 1.00 0.41 N ATOM 858 CA GLN B 10 142.786 -1.579 -15.930 1.00 0.48 C ATOM 859 C GLN B 10 142.376 -0.821 -14.662 1.00 0.42 C ATOM 860 O GLN B 10 143.233 -0.396 -13.885 1.00 0.48 O ATOM 861 CB GLN B 10 143.224 -0.589 -17.014 1.00 0.58 C ATOM 862 CG GLN B 10 144.452 -1.042 -17.789 1.00 0.66 C ATOM 863 CD GLN B 10 145.753 -0.629 -17.123 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.297 -1.359 -16.294 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.260 0.546 -17.484 1.00 0.83 N ATOM 0 H GLN B 10 141.353 -2.164 -17.351 1.00 0.41 H new ATOM 0 HA GLN B 10 143.623 -2.230 -15.676 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.400 -0.437 -17.711 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.432 0.376 -16.551 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.431 -2.127 -17.893 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.416 -0.624 -18.795 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.776 1.120 -18.175 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.133 0.874 -17.070 1.00 0.83 H new ATOM 874 N GLU B 11 141.065 -0.673 -14.445 1.00 0.40 N ATOM 875 CA GLU B 11 140.555 0.011 -13.258 1.00 0.42 C ATOM 876 C GLU B 11 140.632 -0.901 -12.027 1.00 0.37 C ATOM 877 O GLU B 11 140.635 -0.425 -10.892 1.00 0.54 O ATOM 878 CB GLU B 11 139.108 0.465 -13.483 1.00 0.48 C ATOM 879 CG GLU B 11 138.809 1.843 -12.914 1.00 0.62 C ATOM 880 CD GLU B 11 137.373 2.271 -13.142 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.048 2.682 -14.277 1.00 1.61 O ATOM 882 OE2 GLU B 11 136.572 2.190 -12.187 1.00 1.53 O ATOM 0 H GLU B 11 140.341 -1.018 -15.076 1.00 0.40 H new ATOM 0 HA GLU B 11 141.178 0.887 -13.079 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.899 0.469 -14.553 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.433 -0.261 -13.029 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.018 1.843 -11.844 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.478 2.573 -13.370 1.00 0.62 H new ATOM 889 N LEU B 12 140.717 -2.212 -12.271 1.00 0.32 N ATOM 890 CA LEU B 12 140.814 -3.194 -11.196 1.00 0.30 C ATOM 891 C LEU B 12 142.193 -3.138 -10.543 1.00 0.28 C ATOM 892 O LEU B 12 142.303 -2.962 -9.328 1.00 0.36 O ATOM 893 CB LEU B 12 140.546 -4.603 -11.732 1.00 0.32 C ATOM 894 CG LEU B 12 139.852 -5.552 -10.752 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.762 -5.863 -9.573 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.533 -4.957 -10.273 1.00 0.54 C ATOM 0 H LEU B 12 140.720 -2.615 -13.208 1.00 0.32 H new ATOM 0 HA LEU B 12 140.061 -2.954 -10.446 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.934 -4.522 -12.630 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.495 -5.047 -12.032 1.00 0.32 H new ATOM 0 HG LEU B 12 139.636 -6.485 -11.272 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.251 -6.539 -8.887 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.676 -6.335 -9.933 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.012 -4.939 -9.052 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.054 -5.646 -9.577 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.723 -4.008 -9.771 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.877 -4.791 -11.128 1.00 0.54 H new ATOM 908 N VAL B 13 143.242 -3.289 -11.357 1.00 0.25 N ATOM 909 CA VAL B 13 144.614 -3.253 -10.856 1.00 0.26 C ATOM 910 C VAL B 13 144.875 -1.963 -10.073 1.00 0.22 C ATOM 911 O VAL B 13 145.243 -2.018 -8.901 1.00 0.26 O ATOM 912 CB VAL B 13 145.660 -3.414 -11.992 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.386 -2.458 -13.145 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.073 -3.218 -11.458 1.00 0.52 C ATOM 0 H VAL B 13 143.165 -3.437 -12.363 1.00 0.25 H new ATOM 0 HA VAL B 13 144.727 -4.104 -10.185 1.00 0.26 H new ATOM 0 HB VAL B 13 145.573 -4.430 -12.376 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.138 -2.599 -13.921 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.397 -2.659 -13.557 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.427 -1.431 -12.783 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.789 -3.335 -12.271 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.166 -2.218 -11.034 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.276 -3.960 -10.686 1.00 0.52 H new ATOM 924 N LYS B 14 144.695 -0.807 -10.725 1.00 0.24 N ATOM 925 CA LYS B 14 144.918 0.494 -10.089 1.00 0.25 C ATOM 926 C LYS B 14 144.285 0.575 -8.699 1.00 0.22 C ATOM 927 O LYS B 14 144.885 1.125 -7.777 1.00 0.29 O ATOM 928 CB LYS B 14 144.355 1.609 -10.974 1.00 0.34 C ATOM 929 CG LYS B 14 145.043 2.950 -10.782 1.00 0.87 C ATOM 930 CD LYS B 14 144.699 3.916 -11.907 1.00 0.75 C ATOM 931 CE LYS B 14 144.987 5.360 -11.519 1.00 0.70 C ATOM 932 NZ LYS B 14 144.874 6.283 -12.685 1.00 0.72 N ATOM 0 H LYS B 14 144.394 -0.749 -11.698 1.00 0.24 H new ATOM 0 HA LYS B 14 145.994 0.617 -9.970 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.445 1.311 -12.019 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.291 1.724 -10.765 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.744 3.381 -9.826 1.00 0.87 H new ATOM 0 HG3 LYS B 14 146.123 2.805 -10.742 1.00 0.87 H new ATOM 0 HD2 LYS B 14 145.273 3.657 -12.797 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.645 3.812 -12.166 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.291 5.672 -10.740 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.990 5.429 -11.097 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.077 7.256 -12.379 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.556 6.001 -13.418 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.910 6.237 -13.072 1.00 0.72 H new ATOM 946 N HIS B 15 143.076 0.026 -8.552 1.00 0.24 N ATOM 947 CA HIS B 15 142.376 0.040 -7.265 1.00 0.27 C ATOM 948 C HIS B 15 143.110 -0.815 -6.231 1.00 0.25 C ATOM 949 O HIS B 15 143.192 -0.451 -5.057 1.00 0.45 O ATOM 950 CB HIS B 15 140.941 -0.472 -7.427 1.00 0.33 C ATOM 951 CG HIS B 15 139.984 0.571 -7.916 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.671 0.646 -7.498 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.157 1.592 -8.789 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.080 1.667 -8.092 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.960 2.257 -8.880 1.00 0.76 N ATOM 0 H HIS B 15 142.563 -0.432 -9.305 1.00 0.24 H new ATOM 0 HA HIS B 15 142.352 1.071 -6.913 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.940 -1.310 -8.124 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.590 -0.854 -6.468 1.00 0.33 H new ATOM 0 HD2 HIS B 15 141.068 1.837 -9.316 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.052 1.968 -7.956 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.779 3.075 -9.462 1.00 0.76 H new ATOM 964 N LYS B 16 143.653 -1.945 -6.685 1.00 0.21 N ATOM 965 CA LYS B 16 144.394 -2.853 -5.815 1.00 0.27 C ATOM 966 C LYS B 16 145.743 -2.248 -5.423 1.00 0.36 C ATOM 967 O LYS B 16 146.126 -2.283 -4.252 1.00 0.69 O ATOM 968 CB LYS B 16 144.599 -4.202 -6.509 1.00 0.35 C ATOM 969 CG LYS B 16 143.317 -5.008 -6.668 1.00 0.46 C ATOM 970 CD LYS B 16 143.534 -6.234 -7.542 1.00 0.49 C ATOM 971 CE LYS B 16 144.316 -7.314 -6.809 1.00 0.53 C ATOM 972 NZ LYS B 16 145.565 -7.683 -7.532 1.00 0.61 N ATOM 0 H LYS B 16 143.592 -2.253 -7.656 1.00 0.21 H new ATOM 0 HA LYS B 16 143.812 -3.009 -4.907 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.036 -4.032 -7.493 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.319 -4.789 -5.938 1.00 0.35 H new ATOM 0 HG2 LYS B 16 142.957 -5.318 -5.687 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.543 -4.379 -7.107 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.569 -6.633 -7.856 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.070 -5.946 -8.446 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.566 -6.964 -5.807 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.690 -8.199 -6.691 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 146.069 -8.421 -7.000 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.325 -8.041 -8.479 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.174 -6.845 -7.623 1.00 0.61 H new ATOM 986 N GLU B 17 146.453 -1.685 -6.406 1.00 0.30 N ATOM 987 CA GLU B 17 147.755 -1.061 -6.169 1.00 0.38 C ATOM 988 C GLU B 17 147.610 0.200 -5.311 1.00 0.32 C ATOM 989 O GLU B 17 148.461 0.481 -4.467 1.00 0.40 O ATOM 990 CB GLU B 17 148.435 -0.751 -7.518 1.00 0.51 C ATOM 991 CG GLU B 17 149.087 0.627 -7.624 1.00 0.80 C ATOM 992 CD GLU B 17 148.258 1.595 -8.456 1.00 1.10 C ATOM 993 OE1 GLU B 17 148.279 1.480 -9.702 1.00 1.47 O ATOM 994 OE2 GLU B 17 147.585 2.464 -7.864 1.00 1.49 O ATOM 0 H GLU B 17 146.144 -1.650 -7.378 1.00 0.30 H new ATOM 0 HA GLU B 17 148.387 -1.755 -5.615 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.196 -1.509 -7.704 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.692 -0.844 -8.310 1.00 0.51 H new ATOM 0 HG2 GLU B 17 149.227 1.038 -6.624 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.077 0.525 -8.068 1.00 0.80 H new ATOM 1001 N LEU B 18 146.515 0.942 -5.511 1.00 0.32 N ATOM 1002 CA LEU B 18 146.261 2.153 -4.729 1.00 0.34 C ATOM 1003 C LEU B 18 146.126 1.801 -3.250 1.00 0.35 C ATOM 1004 O LEU B 18 146.691 2.475 -2.388 1.00 0.66 O ATOM 1005 CB LEU B 18 144.992 2.864 -5.210 1.00 0.51 C ATOM 1006 CG LEU B 18 145.204 3.919 -6.299 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.867 4.471 -6.771 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.103 5.042 -5.792 1.00 0.75 C ATOM 0 H LEU B 18 145.797 0.726 -6.202 1.00 0.32 H new ATOM 0 HA LEU B 18 147.106 2.828 -4.866 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.295 2.114 -5.585 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.516 3.341 -4.353 1.00 0.51 H new ATOM 0 HG LEU B 18 145.699 3.445 -7.147 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.035 5.220 -7.545 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.261 3.660 -7.176 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.345 4.929 -5.931 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.241 5.781 -6.581 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.640 5.516 -4.927 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.071 4.632 -5.505 1.00 0.75 H new ATOM 1020 N LEU B 19 145.381 0.728 -2.973 1.00 0.45 N ATOM 1021 CA LEU B 19 145.174 0.260 -1.604 1.00 0.47 C ATOM 1022 C LEU B 19 146.485 -0.250 -1.000 1.00 0.33 C ATOM 1023 O LEU B 19 146.719 -0.103 0.200 1.00 0.45 O ATOM 1024 CB LEU B 19 144.115 -0.847 -1.568 1.00 0.63 C ATOM 1025 CG LEU B 19 142.906 -0.567 -0.670 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.724 -1.422 -1.096 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.253 -0.817 0.794 1.00 0.96 C ATOM 0 H LEU B 19 144.910 0.167 -3.683 1.00 0.45 H new ATOM 0 HA LEU B 19 144.822 1.103 -1.009 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.760 -1.021 -2.584 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.589 -1.770 -1.234 1.00 0.63 H new ATOM 0 HG LEU B 19 142.630 0.482 -0.778 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.872 -1.213 -0.449 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.461 -1.191 -2.128 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.990 -2.476 -1.016 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.381 -0.612 1.415 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.555 -1.856 0.924 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.072 -0.161 1.091 1.00 0.96 H new ATOM 1039 N ARG B 20 147.339 -0.848 -1.841 1.00 0.35 N ATOM 1040 CA ARG B 20 148.627 -1.374 -1.388 1.00 0.49 C ATOM 1041 C ARG B 20 149.527 -0.251 -0.893 1.00 0.40 C ATOM 1042 O ARG B 20 149.923 -0.250 0.274 1.00 0.49 O ATOM 1043 CB ARG B 20 149.319 -2.151 -2.515 1.00 0.76 C ATOM 1044 CG ARG B 20 149.735 -3.560 -2.117 1.00 0.85 C ATOM 1045 CD ARG B 20 149.826 -4.479 -3.327 1.00 0.96 C ATOM 1046 NE ARG B 20 149.228 -5.792 -3.068 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.844 -6.961 -3.289 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.075 -6.997 -3.798 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.223 -8.102 -3.009 1.00 1.59 N ATOM 0 H ARG B 20 147.159 -0.978 -2.837 1.00 0.35 H new ATOM 0 HA ARG B 20 148.440 -2.056 -0.558 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.647 -2.208 -3.372 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.201 -1.598 -2.838 1.00 0.76 H new ATOM 0 HG2 ARG B 20 150.700 -3.526 -1.611 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.016 -3.965 -1.405 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.323 -4.013 -4.174 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.872 -4.606 -3.607 1.00 0.96 H new ATOM 0 HE ARG B 20 148.279 -5.817 -2.694 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.559 -6.128 -4.024 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.533 -7.893 -3.962 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.278 -8.088 -2.626 1.00 1.59 H new ATOM 0 HH22 ARG B 20 149.692 -8.992 -3.177 1.00 1.59 H new ATOM 1063 N ARG B 21 149.855 0.710 -1.767 1.00 0.35 N ATOM 1064 CA ARG B 21 150.710 1.833 -1.386 1.00 0.35 C ATOM 1065 C ARG B 21 150.202 2.507 -0.112 1.00 0.34 C ATOM 1066 O ARG B 21 150.999 2.864 0.755 1.00 0.47 O ATOM 1067 CB ARG B 21 150.777 2.857 -2.524 1.00 0.45 C ATOM 1068 CG ARG B 21 151.897 3.877 -2.371 1.00 0.70 C ATOM 1069 CD ARG B 21 151.710 5.052 -3.321 1.00 0.98 C ATOM 1070 NE ARG B 21 152.837 5.986 -3.277 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.826 7.204 -3.830 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.744 7.655 -4.465 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.903 7.977 -3.748 1.00 1.53 N ATOM 0 H ARG B 21 149.541 0.729 -2.737 1.00 0.35 H new ATOM 0 HA ARG B 21 151.709 1.443 -1.192 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.907 2.328 -3.468 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.825 3.384 -2.582 1.00 0.45 H new ATOM 0 HG2 ARG B 21 151.924 4.239 -1.343 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.857 3.398 -2.566 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.590 4.679 -4.338 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.792 5.581 -3.065 1.00 0.98 H new ATOM 0 HE ARG B 21 153.685 5.689 -2.794 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.912 7.069 -4.533 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.748 8.586 -4.882 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.736 7.641 -3.264 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.897 8.906 -4.169 1.00 1.53 H new ATOM 1087 N LYS B 22 148.873 2.672 0.001 1.00 0.30 N ATOM 1088 CA LYS B 22 148.272 3.295 1.186 1.00 0.36 C ATOM 1089 C LYS B 22 148.933 2.768 2.460 1.00 0.31 C ATOM 1090 O LYS B 22 149.304 3.543 3.343 1.00 0.36 O ATOM 1091 CB LYS B 22 146.762 3.037 1.230 1.00 0.47 C ATOM 1092 CG LYS B 22 145.972 4.180 1.849 1.00 0.69 C ATOM 1093 CD LYS B 22 144.509 4.147 1.428 1.00 0.86 C ATOM 1094 CE LYS B 22 143.626 3.609 2.542 1.00 0.70 C ATOM 1095 NZ LYS B 22 142.994 4.704 3.330 1.00 0.70 N ATOM 0 H LYS B 22 148.201 2.384 -0.710 1.00 0.30 H new ATOM 0 HA LYS B 22 148.437 4.371 1.124 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.401 2.863 0.216 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.573 2.125 1.797 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.039 4.122 2.935 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.415 5.131 1.552 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.184 5.151 1.156 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.398 3.525 0.540 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.849 2.975 2.115 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.221 2.981 3.205 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.400 4.294 4.079 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.734 5.295 3.759 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.405 5.288 2.702 1.00 0.70 H new ATOM 1109 N ASP B 23 149.108 1.443 2.525 1.00 0.32 N ATOM 1110 CA ASP B 23 149.755 0.798 3.666 1.00 0.32 C ATOM 1111 C ASP B 23 151.260 1.086 3.663 1.00 0.30 C ATOM 1112 O ASP B 23 151.796 1.643 4.619 1.00 0.37 O ATOM 1113 CB ASP B 23 149.502 -0.715 3.629 1.00 0.36 C ATOM 1114 CG ASP B 23 148.254 -1.107 4.395 1.00 0.75 C ATOM 1115 OD1 ASP B 23 148.359 -1.361 5.614 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.170 -1.151 3.777 1.00 1.15 O ATOM 0 H ASP B 23 148.808 0.797 1.795 1.00 0.32 H new ATOM 0 HA ASP B 23 149.329 1.204 4.584 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.407 -1.040 2.593 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.362 -1.236 4.049 1.00 0.36 H new ATOM 1121 N THR B 24 151.933 0.694 2.580 1.00 0.28 N ATOM 1122 CA THR B 24 153.380 0.902 2.433 1.00 0.29 C ATOM 1123 C THR B 24 153.798 2.328 2.816 1.00 0.27 C ATOM 1124 O THR B 24 154.841 2.526 3.441 1.00 0.32 O ATOM 1125 CB THR B 24 153.809 0.615 0.990 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.396 -0.680 0.589 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.306 0.710 0.770 1.00 0.55 C ATOM 0 H THR B 24 151.498 0.227 1.785 1.00 0.28 H new ATOM 0 HA THR B 24 153.878 0.211 3.114 1.00 0.29 H new ATOM 0 HB THR B 24 153.325 1.387 0.392 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.678 -0.842 -0.335 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.535 0.494 -0.274 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.647 1.716 1.016 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.814 -0.012 1.409 1.00 0.55 H new ATOM 1135 N HIS B 25 152.979 3.314 2.439 1.00 0.26 N ATOM 1136 CA HIS B 25 153.268 4.717 2.741 1.00 0.29 C ATOM 1137 C HIS B 25 153.227 4.980 4.244 1.00 0.31 C ATOM 1138 O HIS B 25 154.185 5.513 4.802 1.00 0.41 O ATOM 1139 CB HIS B 25 152.291 5.642 2.011 1.00 0.34 C ATOM 1140 CG HIS B 25 152.831 7.020 1.753 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.169 7.285 1.524 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.200 8.216 1.691 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.332 8.584 1.338 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.153 9.170 1.432 1.00 0.74 N ATOM 0 H HIS B 25 152.111 3.166 1.924 1.00 0.26 H new ATOM 0 HA HIS B 25 154.277 4.930 2.388 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.017 5.186 1.059 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.377 5.725 2.599 1.00 0.34 H new ATOM 0 HD1 HIS B 25 154.913 6.588 1.502 1.00 0.86 H new ATOM 0 HD2 HIS B 25 151.142 8.388 1.821 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.271 9.081 1.142 1.00 0.72 H new ATOM 1153 N ILE B 26 152.134 4.601 4.909 1.00 0.29 N ATOM 1154 CA ILE B 26 152.046 4.810 6.353 1.00 0.35 C ATOM 1155 C ILE B 26 153.185 4.060 7.049 1.00 0.35 C ATOM 1156 O ILE B 26 153.856 4.612 7.924 1.00 0.47 O ATOM 1157 CB ILE B 26 150.679 4.388 6.949 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.312 2.957 6.553 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.590 5.358 6.509 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.058 2.444 7.224 1.00 0.68 C ATOM 0 H ILE B 26 151.319 4.160 4.484 1.00 0.29 H new ATOM 0 HA ILE B 26 152.138 5.882 6.529 1.00 0.35 H new ATOM 0 HB ILE B 26 150.764 4.419 8.035 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.180 2.911 5.472 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.143 2.296 6.801 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.635 5.050 6.935 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.835 6.362 6.856 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.520 5.357 5.421 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.861 1.424 6.895 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.193 2.457 8.306 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.215 3.081 6.956 1.00 0.68 H new ATOM 1172 N ARG B 27 153.409 2.804 6.637 1.00 0.31 N ATOM 1173 CA ARG B 27 154.476 1.975 7.197 1.00 0.37 C ATOM 1174 C ARG B 27 155.838 2.659 7.057 1.00 0.34 C ATOM 1175 O ARG B 27 156.628 2.666 8.004 1.00 0.39 O ATOM 1176 CB ARG B 27 154.502 0.606 6.508 1.00 0.46 C ATOM 1177 CG ARG B 27 155.418 -0.401 7.185 1.00 0.53 C ATOM 1178 CD ARG B 27 156.779 -0.462 6.505 1.00 0.80 C ATOM 1179 NE ARG B 27 157.443 -1.748 6.717 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.767 -1.928 6.678 1.00 0.92 C ATOM 1181 NH1 ARG B 27 159.585 -0.906 6.429 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.274 -3.137 6.886 1.00 1.67 N ATOM 0 H ARG B 27 152.859 2.341 5.913 1.00 0.31 H new ATOM 0 HA ARG B 27 154.272 1.836 8.259 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.490 0.203 6.482 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.820 0.736 5.474 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.546 -0.131 8.233 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.955 -1.388 7.164 1.00 0.53 H new ATOM 0 HD2 ARG B 27 156.658 -0.289 5.436 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.411 0.339 6.888 1.00 0.80 H new ATOM 0 HE ARG B 27 156.857 -2.561 6.907 1.00 0.90 H new ATOM 0 HH11 ARG B 27 159.202 0.025 6.266 1.00 1.21 H new ATOM 0 HH12 ARG B 27 160.594 -1.055 6.402 1.00 1.21 H new ATOM 0 HH21 ARG B 27 158.654 -3.925 7.075 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.284 -3.278 6.857 1.00 1.67 H new ATOM 1196 N GLU B 28 156.109 3.244 5.884 1.00 0.33 N ATOM 1197 CA GLU B 28 157.378 3.937 5.663 1.00 0.36 C ATOM 1198 C GLU B 28 157.480 5.146 6.597 1.00 0.35 C ATOM 1199 O GLU B 28 158.520 5.370 7.217 1.00 0.44 O ATOM 1200 CB GLU B 28 157.547 4.344 4.187 1.00 0.47 C ATOM 1201 CG GLU B 28 156.813 5.615 3.780 1.00 0.78 C ATOM 1202 CD GLU B 28 157.479 6.330 2.619 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.478 7.042 2.854 1.00 1.79 O ATOM 1204 OE2 GLU B 28 157.000 6.177 1.475 1.00 1.62 O ATOM 0 H GLU B 28 155.475 3.251 5.085 1.00 0.33 H new ATOM 0 HA GLU B 28 158.194 3.252 5.896 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.609 4.475 3.981 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.199 3.525 3.558 1.00 0.47 H new ATOM 0 HG2 GLU B 28 155.787 5.366 3.508 1.00 0.78 H new ATOM 0 HG3 GLU B 28 156.761 6.289 4.635 1.00 0.78 H new ATOM 1211 N LEU B 29 156.385 5.910 6.705 1.00 0.33 N ATOM 1212 CA LEU B 29 156.340 7.082 7.580 1.00 0.38 C ATOM 1213 C LEU B 29 156.457 6.684 9.059 1.00 0.42 C ATOM 1214 O LEU B 29 156.685 7.539 9.913 1.00 0.79 O ATOM 1215 CB LEU B 29 155.042 7.865 7.352 1.00 0.46 C ATOM 1216 CG LEU B 29 155.225 9.353 7.039 1.00 0.47 C ATOM 1217 CD1 LEU B 29 154.903 9.630 5.578 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.350 10.204 7.952 1.00 0.59 C ATOM 0 H LEU B 29 155.519 5.735 6.195 1.00 0.33 H new ATOM 0 HA LEU B 29 157.192 7.715 7.331 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.496 7.402 6.530 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.419 7.771 8.241 1.00 0.46 H new ATOM 0 HG LEU B 29 156.267 9.619 7.220 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.038 10.692 5.371 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.570 9.049 4.942 1.00 0.82 H new ATOM 0 HD13 LEU B 29 153.870 9.349 5.373 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.494 11.258 7.715 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.303 9.938 7.804 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.626 10.025 8.991 1.00 0.59 H new ATOM 1230 N GLU B 30 156.334 5.381 9.350 1.00 0.43 N ATOM 1231 CA GLU B 30 156.465 4.889 10.718 1.00 0.45 C ATOM 1232 C GLU B 30 157.940 4.885 11.109 1.00 0.44 C ATOM 1233 O GLU B 30 158.336 5.537 12.076 1.00 0.58 O ATOM 1234 CB GLU B 30 155.867 3.483 10.861 1.00 0.51 C ATOM 1235 CG GLU B 30 154.893 3.343 12.028 1.00 0.58 C ATOM 1236 CD GLU B 30 155.421 3.946 13.319 1.00 0.93 C ATOM 1237 OE1 GLU B 30 156.240 3.284 13.991 1.00 1.26 O ATOM 1238 OE2 GLU B 30 155.015 5.078 13.658 1.00 1.35 O ATOM 0 H GLU B 30 156.145 4.657 8.657 1.00 0.43 H new ATOM 0 HA GLU B 30 155.912 5.550 11.385 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.352 3.222 9.937 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.677 2.765 10.988 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.951 3.825 11.767 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.677 2.287 12.189 1.00 0.58 H new ATOM 1245 N ASP B 31 158.752 4.162 10.328 1.00 0.41 N ATOM 1246 CA ASP B 31 160.194 4.088 10.564 1.00 0.55 C ATOM 1247 C ASP B 31 160.819 5.488 10.573 1.00 0.57 C ATOM 1248 O ASP B 31 161.828 5.721 11.241 1.00 0.76 O ATOM 1249 CB ASP B 31 160.866 3.213 9.500 1.00 0.69 C ATOM 1250 CG ASP B 31 161.097 1.791 9.986 1.00 1.28 C ATOM 1251 OD1 ASP B 31 161.988 1.591 10.842 1.00 1.66 O ATOM 1252 OD2 ASP B 31 160.384 0.879 9.515 1.00 1.74 O ATOM 0 H ASP B 31 158.431 3.620 9.526 1.00 0.41 H new ATOM 0 HA ASP B 31 160.355 3.636 11.543 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.245 3.192 8.604 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.820 3.657 9.216 1.00 0.69 H new ATOM 1257 N TYR B 32 160.194 6.421 9.848 1.00 0.49 N ATOM 1258 CA TYR B 32 160.667 7.802 9.794 1.00 0.56 C ATOM 1259 C TYR B 32 160.415 8.500 11.131 1.00 0.56 C ATOM 1260 O TYR B 32 161.253 9.267 11.609 1.00 0.67 O ATOM 1261 CB TYR B 32 159.975 8.559 8.655 1.00 0.60 C ATOM 1262 CG TYR B 32 160.934 9.301 7.750 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.169 8.753 7.412 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.604 10.547 7.229 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.045 9.425 6.584 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.476 11.225 6.397 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.695 10.660 6.078 1.00 1.21 C ATOM 1268 OH TYR B 32 163.565 11.330 5.248 1.00 1.53 O ATOM 0 H TYR B 32 159.359 6.242 9.291 1.00 0.49 H new ATOM 0 HA TYR B 32 161.740 7.796 9.602 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.398 7.852 8.058 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.266 9.270 9.080 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.446 7.786 7.805 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.652 10.992 7.478 1.00 0.96 H new ATOM 0 HE1 TYR B 32 164.000 8.986 6.333 1.00 1.37 H new ATOM 0 HE2 TYR B 32 161.205 12.192 5.999 1.00 1.17 H new ATOM 0 HH TYR B 32 163.167 12.184 4.978 1.00 1.53 H new ATOM 1278 N ILE B 33 159.263 8.202 11.739 1.00 0.54 N ATOM 1279 CA ILE B 33 158.894 8.767 13.037 1.00 0.64 C ATOM 1280 C ILE B 33 159.547 7.978 14.185 1.00 0.58 C ATOM 1281 O ILE B 33 159.499 8.399 15.343 1.00 0.78 O ATOM 1282 CB ILE B 33 157.357 8.772 13.226 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.694 9.612 12.130 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.980 9.300 14.605 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.232 9.289 11.907 1.00 0.87 C ATOM 0 H ILE B 33 158.566 7.568 11.348 1.00 0.54 H new ATOM 0 HA ILE B 33 159.256 9.795 13.059 1.00 0.64 H new ATOM 0 HB ILE B 33 156.998 7.746 13.149 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.787 10.667 12.388 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.235 9.464 11.195 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.895 9.294 14.713 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.425 8.666 15.372 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.350 10.319 14.718 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.835 9.926 11.116 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.131 8.243 11.616 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.676 9.465 12.828 1.00 0.87 H new ATOM 1297 N ASP B 34 160.182 6.845 13.851 1.00 0.46 N ATOM 1298 CA ASP B 34 160.860 6.015 14.846 1.00 0.50 C ATOM 1299 C ASP B 34 162.103 6.720 15.386 1.00 0.40 C ATOM 1300 O ASP B 34 162.456 6.550 16.546 1.00 0.45 O ATOM 1301 CB ASP B 34 161.244 4.653 14.251 1.00 0.69 C ATOM 1302 CG ASP B 34 160.059 3.705 14.109 1.00 0.82 C ATOM 1303 OD1 ASP B 34 158.953 4.045 14.584 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.242 2.617 13.523 1.00 1.46 O ATOM 0 H ASP B 34 160.238 6.486 12.898 1.00 0.46 H new ATOM 0 HA ASP B 34 160.167 5.851 15.671 1.00 0.50 H new ATOM 0 HB2 ASP B 34 161.698 4.806 13.272 1.00 0.69 H new ATOM 0 HB3 ASP B 34 162.000 4.187 14.883 1.00 0.69 H new ATOM 1309 N ASN B 35 162.752 7.519 14.535 1.00 0.52 N ATOM 1310 CA ASN B 35 163.951 8.267 14.922 1.00 0.58 C ATOM 1311 C ASN B 35 163.772 8.923 16.293 1.00 0.49 C ATOM 1312 O ASN B 35 164.705 8.957 17.096 1.00 0.61 O ATOM 1313 CB ASN B 35 164.275 9.334 13.873 1.00 0.78 C ATOM 1314 CG ASN B 35 164.855 8.743 12.602 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.903 8.096 12.626 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.175 8.963 11.480 1.00 1.31 N ATOM 0 H ASN B 35 162.465 7.665 13.567 1.00 0.52 H new ATOM 0 HA ASN B 35 164.780 7.562 14.983 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.368 9.888 13.631 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.983 10.049 14.293 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.518 8.590 10.595 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.311 9.505 11.505 1.00 1.31 H new ATOM 1323 N LEU B 36 162.562 9.425 16.559 1.00 0.44 N ATOM 1324 CA LEU B 36 162.256 10.060 17.840 1.00 0.51 C ATOM 1325 C LEU B 36 162.293 9.029 18.970 1.00 0.47 C ATOM 1326 O LEU B 36 162.882 9.274 20.024 1.00 0.59 O ATOM 1327 CB LEU B 36 160.880 10.735 17.791 1.00 0.71 C ATOM 1328 CG LEU B 36 160.684 11.737 16.648 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.205 12.028 16.437 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.448 13.024 16.925 1.00 1.64 C ATOM 0 H LEU B 36 161.781 9.403 15.904 1.00 0.44 H new ATOM 0 HA LEU B 36 163.012 10.821 18.033 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.116 9.961 17.709 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.712 11.250 18.737 1.00 0.71 H new ATOM 0 HG LEU B 36 161.080 11.294 15.734 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.087 12.741 15.621 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.684 11.103 16.188 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.783 12.448 17.350 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.296 13.722 16.102 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.085 13.470 17.851 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.511 12.803 17.021 1.00 1.64 H new ATOM 1342 N LEU B 37 161.666 7.874 18.732 1.00 0.41 N ATOM 1343 CA LEU B 37 161.629 6.792 19.714 1.00 0.48 C ATOM 1344 C LEU B 37 162.273 5.520 19.149 1.00 0.41 C ATOM 1345 O LEU B 37 161.628 4.474 19.046 1.00 0.54 O ATOM 1346 CB LEU B 37 160.181 6.513 20.140 1.00 0.65 C ATOM 1347 CG LEU B 37 159.203 6.224 18.994 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.233 5.119 19.384 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.446 7.486 18.604 1.00 0.69 C ATOM 0 H LEU B 37 161.175 7.666 17.862 1.00 0.41 H new ATOM 0 HA LEU B 37 162.200 7.103 20.589 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.178 5.662 20.821 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.813 7.372 20.701 1.00 0.65 H new ATOM 0 HG LEU B 37 159.778 5.888 18.131 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.547 4.928 18.558 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.790 4.210 19.611 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.666 5.426 20.263 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.757 7.260 17.790 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.884 7.853 19.463 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.154 8.249 18.280 1.00 0.69 H new ATOM 1361 N VAL B 38 163.554 5.623 18.780 1.00 0.36 N ATOM 1362 CA VAL B 38 164.300 4.490 18.223 1.00 0.49 C ATOM 1363 C VAL B 38 164.139 3.245 19.105 1.00 0.67 C ATOM 1364 O VAL B 38 163.812 3.359 20.287 1.00 1.35 O ATOM 1365 CB VAL B 38 165.805 4.829 18.069 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.569 3.669 17.445 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.991 6.092 17.239 1.00 0.89 C ATOM 0 H VAL B 38 164.097 6.483 18.858 1.00 0.36 H new ATOM 0 HA VAL B 38 163.888 4.282 17.236 1.00 0.49 H new ATOM 0 HB VAL B 38 166.209 5.005 19.066 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.621 3.936 17.350 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.474 2.788 18.079 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.159 3.452 16.459 1.00 1.31 H new ATOM 0 HG21 VAL B 38 167.054 6.311 17.144 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.561 5.943 16.249 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.491 6.927 17.730 1.00 0.89 H new ATOM 1377 N ARG B 39 164.358 2.064 18.512 1.00 0.54 N ATOM 1378 CA ARG B 39 164.229 0.785 19.221 1.00 0.62 C ATOM 1379 C ARG B 39 165.002 0.779 20.546 1.00 0.51 C ATOM 1380 O ARG B 39 166.143 0.317 20.612 1.00 0.63 O ATOM 1381 CB ARG B 39 164.713 -0.365 18.327 1.00 0.93 C ATOM 1382 CG ARG B 39 163.590 -1.054 17.564 1.00 1.15 C ATOM 1383 CD ARG B 39 164.029 -1.479 16.170 1.00 1.41 C ATOM 1384 NE ARG B 39 163.442 -2.762 15.780 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.929 -3.954 16.142 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.014 -4.039 16.909 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.327 -5.068 15.737 1.00 2.18 N ATOM 0 H ARG B 39 164.628 1.969 17.533 1.00 0.54 H new ATOM 0 HA ARG B 39 163.173 0.648 19.456 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.442 0.021 17.615 1.00 0.93 H new ATOM 0 HB3 ARG B 39 165.228 -1.102 18.943 1.00 0.93 H new ATOM 0 HG2 ARG B 39 163.255 -1.929 18.122 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.737 -0.380 17.486 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.740 -0.714 15.449 1.00 1.41 H new ATOM 0 HD3 ARG B 39 165.116 -1.553 16.138 1.00 1.41 H new ATOM 0 HE ARG B 39 162.607 -2.746 15.194 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.482 -3.190 17.226 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.377 -4.953 17.179 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.494 -5.013 15.151 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.698 -5.977 16.013 1.00 2.18 H new ATOM 1401 N VAL B 40 164.360 1.289 21.598 1.00 0.43 N ATOM 1402 CA VAL B 40 164.960 1.344 22.929 1.00 0.56 C ATOM 1403 C VAL B 40 163.864 1.289 23.999 1.00 0.71 C ATOM 1404 O VAL B 40 163.732 2.196 24.824 1.00 1.15 O ATOM 1405 CB VAL B 40 165.801 2.634 23.121 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.575 2.585 24.432 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.754 2.850 21.950 1.00 0.65 C ATOM 0 H VAL B 40 163.416 1.673 21.551 1.00 0.43 H new ATOM 0 HA VAL B 40 165.622 0.484 23.030 1.00 0.56 H new ATOM 0 HB VAL B 40 165.111 3.477 23.157 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.157 3.500 24.545 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.876 2.494 25.264 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.246 1.726 24.426 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.330 3.761 22.113 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.433 2.001 21.872 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.181 2.943 21.027 1.00 0.65 H new ATOM 1417 N MET B 41 163.077 0.213 23.974 1.00 0.60 N ATOM 1418 CA MET B 41 161.988 0.036 24.931 1.00 0.74 C ATOM 1419 C MET B 41 162.319 -1.057 25.946 1.00 0.91 C ATOM 1420 O MET B 41 162.631 -2.191 25.521 1.00 0.91 O ATOM 1421 CB MET B 41 160.683 -0.299 24.200 1.00 0.73 C ATOM 1422 CG MET B 41 160.257 0.760 23.191 1.00 0.74 C ATOM 1423 SD MET B 41 159.082 0.131 21.975 1.00 0.86 S ATOM 1424 CE MET B 41 159.764 0.806 20.462 1.00 0.70 C ATOM 1425 OXT MET B 41 162.264 -0.768 27.160 1.00 1.13 O ATOM 0 H MET B 41 163.174 -0.548 23.302 1.00 0.60 H new ATOM 0 HA MET B 41 161.860 0.974 25.471 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.800 -1.253 23.685 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.888 -0.429 24.935 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.810 1.601 23.721 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.139 1.140 22.675 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.145 0.503 19.617 1.00 0.70 H new ATOM 0 HE2 MET B 41 159.784 1.894 20.526 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.778 0.432 20.321 1.00 0.70 H new TER 1435 MET B 41