USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 30 SER OG : rot -115:sc= 0.527 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0.458 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 124:sc= 0.814 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11! C(o=-11!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0442 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00681 X(o=-0.0068,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.48) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0325) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.051) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -15.815 17.418 -2.460 1.00 9.58 N ATOM 2 CA GLU A 4 -15.930 16.926 -3.865 1.00 9.09 C ATOM 3 C GLU A 4 -15.062 15.673 -4.052 1.00 8.06 C ATOM 4 O GLU A 4 -15.542 14.643 -4.486 1.00 8.10 O ATOM 5 CB GLU A 4 -15.467 18.024 -4.832 1.00 9.77 C ATOM 6 CG GLU A 4 -15.963 17.705 -6.247 1.00 10.24 C ATOM 7 CD GLU A 4 -15.924 18.974 -7.102 1.00 11.04 C ATOM 8 OE1 GLU A 4 -16.868 19.744 -7.028 1.00 11.49 O ATOM 9 OE2 GLU A 4 -14.952 19.154 -7.819 1.00 11.36 O ATOM 0 HA GLU A 4 -16.970 16.674 -4.073 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -15.852 18.992 -4.510 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -14.379 18.095 -4.824 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -15.339 16.932 -6.696 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -16.979 17.312 -6.207 1.00 10.24 H new ATOM 16 N LEU A 5 -13.791 15.756 -3.729 1.00 7.36 N ATOM 17 CA LEU A 5 -12.890 14.570 -3.888 1.00 6.53 C ATOM 18 C LEU A 5 -12.040 14.380 -2.625 1.00 6.17 C ATOM 19 O LEU A 5 -12.053 15.201 -1.724 1.00 6.61 O ATOM 20 CB LEU A 5 -11.964 14.760 -5.104 1.00 6.34 C ATOM 21 CG LEU A 5 -11.500 16.221 -5.227 1.00 7.26 C ATOM 22 CD1 LEU A 5 -10.708 16.632 -3.981 1.00 7.60 C ATOM 23 CD2 LEU A 5 -10.604 16.361 -6.459 1.00 7.86 C ATOM 0 H LEU A 5 -13.340 16.594 -3.362 1.00 7.36 H new ATOM 0 HA LEU A 5 -13.508 13.686 -4.044 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -11.096 14.107 -5.009 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -12.488 14.464 -6.013 1.00 6.34 H new ATOM 0 HG LEU A 5 -12.374 16.865 -5.323 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -10.385 17.668 -4.081 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -11.340 16.532 -3.099 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -9.835 15.988 -3.876 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -10.272 17.395 -6.552 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -9.737 15.709 -6.354 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -11.164 16.079 -7.350 1.00 7.86 H new ATOM 35 N ARG A 6 -11.297 13.300 -2.560 1.00 5.61 N ATOM 36 CA ARG A 6 -10.435 13.037 -1.369 1.00 5.48 C ATOM 37 C ARG A 6 -9.568 11.793 -1.627 1.00 4.69 C ATOM 38 O ARG A 6 -9.394 11.372 -2.755 1.00 4.64 O ATOM 39 CB ARG A 6 -11.325 12.803 -0.141 1.00 6.06 C ATOM 40 CG ARG A 6 -10.847 13.683 1.019 1.00 6.84 C ATOM 41 CD ARG A 6 -11.491 13.210 2.325 1.00 7.76 C ATOM 42 NE ARG A 6 -12.824 13.862 2.489 1.00 8.57 N ATOM 43 CZ ARG A 6 -13.917 13.193 2.233 1.00 9.27 C ATOM 44 NH1 ARG A 6 -14.452 12.437 3.158 1.00 9.70 N ATOM 45 NH2 ARG A 6 -14.476 13.281 1.052 1.00 9.77 N ATOM 0 H ARG A 6 -11.252 12.586 -3.287 1.00 5.61 H new ATOM 0 HA ARG A 6 -9.787 13.895 -1.189 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -12.362 13.035 -0.382 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -11.292 11.753 0.149 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -9.761 13.636 1.100 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -11.108 14.724 0.830 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -11.604 12.126 2.315 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -10.848 13.456 3.170 1.00 7.76 H new ATOM 0 HE ARG A 6 -12.882 14.831 2.801 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -14.016 12.370 4.078 1.00 9.70 H new ATOM 0 HH12 ARG A 6 -15.305 11.914 2.959 1.00 9.70 H new ATOM 0 HH21 ARG A 6 -14.058 13.871 0.333 1.00 9.77 H new ATOM 0 HH22 ARG A 6 -15.329 12.759 0.851 1.00 9.77 H new ATOM 59 N CYS A 7 -9.032 11.202 -0.584 1.00 4.47 N ATOM 60 CA CYS A 7 -8.182 9.980 -0.748 1.00 4.05 C ATOM 61 C CYS A 7 -9.018 8.842 -1.332 1.00 4.38 C ATOM 62 O CYS A 7 -10.080 8.518 -0.832 1.00 4.93 O ATOM 63 CB CYS A 7 -7.627 9.551 0.614 1.00 4.32 C ATOM 64 SG CYS A 7 -6.025 10.345 0.904 1.00 4.79 S ATOM 0 H CYS A 7 -9.148 11.517 0.379 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.358 10.209 -1.423 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -8.327 9.824 1.404 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.517 8.467 0.647 1.00 4.32 H new ATOM 69 N GLN A 8 -8.533 8.225 -2.384 1.00 4.51 N ATOM 70 CA GLN A 8 -9.279 7.090 -3.008 1.00 5.30 C ATOM 71 C GLN A 8 -9.346 5.912 -2.022 1.00 5.47 C ATOM 72 O GLN A 8 -10.182 5.038 -2.153 1.00 6.21 O ATOM 73 CB GLN A 8 -8.556 6.644 -4.284 1.00 5.63 C ATOM 74 CG GLN A 8 -9.219 7.285 -5.507 1.00 6.22 C ATOM 75 CD GLN A 8 -10.135 6.266 -6.188 1.00 7.21 C ATOM 76 OE1 GLN A 8 -11.278 6.110 -5.805 1.00 7.78 O ATOM 77 NE2 GLN A 8 -9.680 5.558 -7.188 1.00 7.68 N ATOM 0 H GLN A 8 -7.650 8.461 -2.837 1.00 4.51 H new ATOM 0 HA GLN A 8 -10.290 7.415 -3.255 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -7.505 6.930 -4.237 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -8.587 5.558 -4.370 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -9.794 8.160 -5.205 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -8.458 7.630 -6.207 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -8.721 5.688 -7.510 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -10.284 4.875 -7.646 1.00 7.68 H new ATOM 86 N CYS A 9 -8.472 5.886 -1.034 1.00 5.04 N ATOM 87 CA CYS A 9 -8.486 4.772 -0.044 1.00 5.45 C ATOM 88 C CYS A 9 -8.393 5.351 1.371 1.00 5.99 C ATOM 89 O CYS A 9 -7.336 5.758 1.819 1.00 6.13 O ATOM 90 CB CYS A 9 -7.294 3.850 -0.305 1.00 5.08 C ATOM 91 SG CYS A 9 -7.825 2.451 -1.327 1.00 5.12 S ATOM 0 H CYS A 9 -7.753 6.592 -0.878 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.411 4.203 -0.141 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -6.498 4.400 -0.808 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -6.885 3.490 0.639 1.00 5.08 H new ATOM 96 N ILE A 10 -9.499 5.388 2.077 1.00 6.61 N ATOM 97 CA ILE A 10 -9.492 5.933 3.472 1.00 7.44 C ATOM 98 C ILE A 10 -8.689 4.994 4.384 1.00 7.48 C ATOM 99 O ILE A 10 -8.068 5.427 5.337 1.00 8.16 O ATOM 100 CB ILE A 10 -10.934 6.049 3.991 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.763 6.915 3.032 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.933 6.696 5.379 1.00 9.31 C ATOM 103 CD1 ILE A 10 -12.911 6.085 2.451 1.00 9.47 C ATOM 0 H ILE A 10 -10.408 5.064 1.746 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.031 6.921 3.472 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.370 5.052 4.052 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.159 7.782 3.560 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -11.131 7.292 2.228 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.957 6.777 5.744 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.350 6.082 6.066 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.491 7.690 5.317 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -13.498 6.702 1.771 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -12.505 5.232 1.908 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -13.549 5.730 3.260 1.00 9.47 H new ATOM 115 N LYS A 11 -8.691 3.714 4.089 1.00 6.93 N ATOM 116 CA LYS A 11 -7.925 2.738 4.923 1.00 7.15 C ATOM 117 C LYS A 11 -6.824 2.098 4.068 1.00 6.42 C ATOM 118 O LYS A 11 -6.858 2.166 2.851 1.00 6.35 O ATOM 119 CB LYS A 11 -8.874 1.652 5.452 1.00 8.05 C ATOM 120 CG LYS A 11 -9.480 0.865 4.282 1.00 8.65 C ATOM 121 CD LYS A 11 -10.271 -0.327 4.825 1.00 9.04 C ATOM 122 CE LYS A 11 -10.483 -1.357 3.712 1.00 9.50 C ATOM 123 NZ LYS A 11 -11.879 -1.878 3.771 1.00 9.69 N ATOM 0 H LYS A 11 -9.194 3.304 3.302 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.472 3.255 5.769 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -8.332 0.976 6.113 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -9.668 2.108 6.043 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -10.132 1.511 3.694 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -8.691 0.518 3.615 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -9.735 -0.782 5.658 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -11.234 0.009 5.211 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -10.295 -0.901 2.740 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -9.773 -2.177 3.822 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -12.021 -2.577 3.014 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -12.043 -2.329 4.694 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -12.548 -1.092 3.646 1.00 9.69 H new ATOM 137 N THR A 12 -5.850 1.477 4.689 1.00 6.02 N ATOM 138 CA THR A 12 -4.752 0.837 3.902 1.00 5.35 C ATOM 139 C THR A 12 -4.406 -0.543 4.464 1.00 5.31 C ATOM 140 O THR A 12 -5.132 -1.111 5.260 1.00 5.80 O ATOM 141 CB THR A 12 -3.499 1.722 3.904 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.558 2.661 4.971 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.407 2.453 2.571 1.00 5.32 C ATOM 0 H THR A 12 -5.769 1.386 5.702 1.00 6.02 H new ATOM 0 HA THR A 12 -5.105 0.719 2.878 1.00 5.35 H new ATOM 0 HB THR A 12 -2.616 1.099 4.044 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.764 2.564 5.537 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.519 3.085 2.563 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.342 1.726 1.761 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.294 3.072 2.433 1.00 5.32 H new ATOM 151 N TYR A 13 -3.306 -1.093 4.015 1.00 4.96 N ATOM 152 CA TYR A 13 -2.888 -2.443 4.457 1.00 5.03 C ATOM 153 C TYR A 13 -1.620 -2.350 5.308 1.00 5.08 C ATOM 154 O TYR A 13 -0.571 -1.950 4.836 1.00 4.67 O ATOM 155 CB TYR A 13 -2.604 -3.282 3.206 1.00 4.85 C ATOM 156 CG TYR A 13 -2.676 -4.754 3.514 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.457 -5.223 4.575 1.00 5.34 C ATOM 158 CD2 TYR A 13 -1.953 -5.649 2.724 1.00 5.75 C ATOM 159 CE1 TYR A 13 -3.514 -6.595 4.848 1.00 5.79 C ATOM 160 CE2 TYR A 13 -2.009 -7.022 2.994 1.00 6.30 C ATOM 161 CZ TYR A 13 -2.789 -7.495 4.057 1.00 6.23 C ATOM 162 OH TYR A 13 -2.841 -8.848 4.326 1.00 6.84 O ATOM 0 H TYR A 13 -2.674 -0.649 3.349 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.675 -2.900 5.057 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.325 -3.034 2.427 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.616 -3.037 2.816 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.016 -4.527 5.183 1.00 5.34 H new ATOM 0 HD2 TYR A 13 -1.351 -5.283 1.905 1.00 5.75 H new ATOM 0 HE1 TYR A 13 -4.116 -6.959 5.667 1.00 5.79 H new ATOM 0 HE2 TYR A 13 -1.451 -7.716 2.383 1.00 6.30 H new ATOM 0 HH TYR A 13 -2.282 -9.331 3.682 1.00 6.84 H new ATOM 172 N SER A 14 -1.709 -2.737 6.555 1.00 5.82 N ATOM 173 CA SER A 14 -0.510 -2.701 7.443 1.00 6.06 C ATOM 174 C SER A 14 0.194 -4.058 7.376 1.00 6.51 C ATOM 175 O SER A 14 1.404 -4.137 7.453 1.00 6.88 O ATOM 176 CB SER A 14 -0.938 -2.415 8.884 1.00 6.42 C ATOM 177 OG SER A 14 -1.395 -1.072 8.982 1.00 6.80 O ATOM 0 H SER A 14 -2.563 -3.077 6.997 1.00 5.82 H new ATOM 0 HA SER A 14 0.168 -1.913 7.113 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.729 -3.103 9.184 1.00 6.42 H new ATOM 0 HB3 SER A 14 -0.101 -2.577 9.563 1.00 6.42 H new ATOM 0 HG SER A 14 -1.671 -0.887 9.904 1.00 6.80 H new ATOM 183 N LYS A 15 -0.553 -5.125 7.213 1.00 6.59 N ATOM 184 CA LYS A 15 0.078 -6.475 7.122 1.00 7.06 C ATOM 185 C LYS A 15 0.735 -6.606 5.742 1.00 6.32 C ATOM 186 O LYS A 15 0.172 -6.183 4.752 1.00 6.13 O ATOM 187 CB LYS A 15 -0.959 -7.595 7.286 1.00 7.75 C ATOM 188 CG LYS A 15 -2.211 -7.092 8.020 1.00 8.64 C ATOM 189 CD LYS A 15 -3.050 -8.285 8.488 1.00 9.43 C ATOM 190 CE LYS A 15 -2.456 -8.859 9.780 1.00 10.20 C ATOM 191 NZ LYS A 15 -2.665 -10.336 9.813 1.00 10.59 N ATOM 0 H LYS A 15 -1.570 -5.116 7.139 1.00 6.59 H new ATOM 0 HA LYS A 15 0.811 -6.573 7.923 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.240 -7.980 6.306 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.518 -8.424 7.840 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -1.922 -6.481 8.875 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -2.801 -6.457 7.359 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -4.081 -7.973 8.657 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -3.072 -9.052 7.714 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -1.392 -8.631 9.836 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -2.927 -8.395 10.647 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -2.262 -10.724 10.690 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -3.684 -10.543 9.779 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -2.195 -10.771 8.994 1.00 10.59 H new ATOM 205 N PRO A 16 1.915 -7.169 5.724 1.00 6.02 N ATOM 206 CA PRO A 16 2.693 -7.349 4.489 1.00 5.35 C ATOM 207 C PRO A 16 2.266 -8.617 3.741 1.00 5.50 C ATOM 208 O PRO A 16 1.686 -9.525 4.309 1.00 6.37 O ATOM 209 CB PRO A 16 4.127 -7.478 5.001 1.00 5.39 C ATOM 210 CG PRO A 16 4.031 -7.945 6.476 1.00 6.26 C ATOM 211 CD PRO A 16 2.585 -7.674 6.933 1.00 6.51 C ATOM 0 HA PRO A 16 2.558 -6.533 3.779 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.689 -8.196 4.403 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.651 -6.525 4.930 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.272 -9.004 6.563 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.742 -7.404 7.100 1.00 6.26 H new ATOM 0 HD2 PRO A 16 2.108 -8.581 7.304 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.553 -6.943 7.741 1.00 6.51 H new ATOM 219 N PHE A 17 2.568 -8.682 2.468 1.00 4.76 N ATOM 220 CA PHE A 17 2.204 -9.888 1.661 1.00 4.96 C ATOM 221 C PHE A 17 3.069 -9.944 0.390 1.00 4.78 C ATOM 222 O PHE A 17 3.638 -8.952 -0.032 1.00 4.77 O ATOM 223 CB PHE A 17 0.703 -9.862 1.305 1.00 4.69 C ATOM 224 CG PHE A 17 0.395 -8.804 0.264 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.394 -7.447 0.614 1.00 3.74 C ATOM 226 CD2 PHE A 17 0.097 -9.185 -1.050 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.096 -6.476 -0.351 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.201 -8.214 -2.012 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.200 -6.860 -1.662 1.00 2.38 C ATOM 0 H PHE A 17 3.053 -7.949 1.951 1.00 4.76 H new ATOM 0 HA PHE A 17 2.395 -10.785 2.251 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.400 -10.840 0.931 1.00 4.69 H new ATOM 0 HB3 PHE A 17 0.118 -9.669 2.205 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.623 -7.150 1.627 1.00 3.74 H new ATOM 0 HD2 PHE A 17 0.097 -10.230 -1.321 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.095 -5.430 -0.082 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.432 -8.510 -3.025 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.428 -6.110 -2.405 1.00 2.38 H new ATOM 239 N HIS A 18 3.182 -11.107 -0.208 1.00 4.92 N ATOM 240 CA HIS A 18 4.017 -11.261 -1.438 1.00 5.06 C ATOM 241 C HIS A 18 3.362 -10.498 -2.621 1.00 4.32 C ATOM 242 O HIS A 18 2.153 -10.482 -2.752 1.00 4.10 O ATOM 243 CB HIS A 18 4.182 -12.758 -1.700 1.00 5.95 C ATOM 244 CG HIS A 18 4.692 -12.981 -3.075 1.00 6.25 C ATOM 245 ND1 HIS A 18 6.040 -13.085 -3.380 1.00 6.36 N ATOM 246 CD2 HIS A 18 4.028 -13.113 -4.240 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.126 -13.273 -4.708 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.927 -13.306 -5.270 1.00 7.07 N ATOM 0 H HIS A 18 2.726 -11.963 0.108 1.00 4.92 H new ATOM 0 HA HIS A 18 5.008 -10.824 -1.313 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.871 -13.189 -0.974 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.226 -13.265 -1.572 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.818 -13.029 -2.723 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.954 -13.074 -4.351 1.00 6.72 H new ATOM 0 HE1 HIS A 18 7.055 -13.383 -5.248 1.00 6.81 H new ATOM 256 N PRO A 19 4.199 -9.825 -3.400 1.00 4.16 N ATOM 257 CA PRO A 19 3.760 -8.962 -4.530 1.00 3.77 C ATOM 258 C PRO A 19 3.316 -9.711 -5.795 1.00 4.27 C ATOM 259 O PRO A 19 2.352 -9.313 -6.416 1.00 4.32 O ATOM 260 CB PRO A 19 4.999 -8.121 -4.840 1.00 3.96 C ATOM 261 CG PRO A 19 6.210 -8.908 -4.300 1.00 4.62 C ATOM 262 CD PRO A 19 5.668 -9.866 -3.226 1.00 4.65 C ATOM 0 HA PRO A 19 2.873 -8.399 -4.240 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.094 -7.951 -5.912 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.931 -7.141 -4.367 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.701 -9.461 -5.101 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.954 -8.233 -3.877 1.00 4.62 H new ATOM 0 HD2 PRO A 19 6.056 -10.875 -3.362 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.958 -9.546 -2.225 1.00 4.65 H new ATOM 270 N LYS A 20 4.011 -10.742 -6.217 1.00 4.91 N ATOM 271 CA LYS A 20 3.605 -11.448 -7.488 1.00 5.52 C ATOM 272 C LYS A 20 2.101 -11.788 -7.480 1.00 5.00 C ATOM 273 O LYS A 20 1.489 -11.892 -8.527 1.00 5.39 O ATOM 274 CB LYS A 20 4.428 -12.711 -7.705 1.00 6.44 C ATOM 275 CG LYS A 20 4.449 -13.065 -9.194 1.00 7.16 C ATOM 276 CD LYS A 20 5.656 -13.960 -9.489 1.00 7.91 C ATOM 277 CE LYS A 20 5.319 -14.917 -10.636 1.00 8.41 C ATOM 278 NZ LYS A 20 4.948 -16.252 -10.083 1.00 8.95 N ATOM 0 H LYS A 20 4.832 -11.125 -5.748 1.00 4.91 H new ATOM 0 HA LYS A 20 3.800 -10.765 -8.315 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.445 -12.560 -7.343 1.00 6.44 H new ATOM 0 HB3 LYS A 20 4.004 -13.535 -7.131 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.527 -13.577 -9.470 1.00 7.16 H new ATOM 0 HG3 LYS A 20 4.501 -12.157 -9.794 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.519 -13.349 -9.754 1.00 7.91 H new ATOM 0 HD3 LYS A 20 5.928 -14.526 -8.598 1.00 7.91 H new ATOM 0 HE2 LYS A 20 4.496 -14.516 -11.227 1.00 8.41 H new ATOM 0 HE3 LYS A 20 6.174 -15.014 -11.305 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 4.720 -16.900 -10.864 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 5.746 -16.635 -9.537 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 4.120 -16.153 -9.462 1.00 8.95 H new ATOM 292 N PHE A 21 1.489 -11.924 -6.318 1.00 4.37 N ATOM 293 CA PHE A 21 0.022 -12.210 -6.265 1.00 4.15 C ATOM 294 C PHE A 21 -0.737 -11.037 -6.902 1.00 3.56 C ATOM 295 O PHE A 21 -1.737 -11.218 -7.571 1.00 3.88 O ATOM 296 CB PHE A 21 -0.434 -12.345 -4.815 1.00 4.02 C ATOM 297 CG PHE A 21 0.345 -13.417 -4.081 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.839 -14.541 -4.758 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.562 -13.283 -2.703 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.549 -15.524 -4.057 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.271 -14.265 -2.005 1.00 5.85 C ATOM 302 CZ PHE A 21 1.765 -15.385 -2.681 1.00 6.13 C ATOM 0 H PHE A 21 1.947 -11.848 -5.410 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.179 -13.138 -6.800 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.310 -11.390 -4.304 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.497 -12.585 -4.788 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.672 -14.649 -5.820 1.00 5.12 H new ATOM 0 HD2 PHE A 21 0.181 -12.419 -2.179 1.00 5.11 H new ATOM 0 HE1 PHE A 21 1.930 -16.390 -4.578 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.437 -14.159 -0.943 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.313 -16.143 -2.141 1.00 6.13 H new ATOM 312 N ILE A 22 -0.254 -9.833 -6.683 1.00 2.94 N ATOM 313 CA ILE A 22 -0.908 -8.614 -7.249 1.00 2.62 C ATOM 314 C ILE A 22 -0.884 -8.666 -8.779 1.00 3.41 C ATOM 315 O ILE A 22 0.166 -8.699 -9.394 1.00 4.13 O ATOM 316 CB ILE A 22 -0.150 -7.360 -6.778 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.102 -7.324 -5.245 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.867 -6.110 -7.285 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.149 -6.569 -4.790 1.00 2.47 C ATOM 0 H ILE A 22 0.580 -9.645 -6.126 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.942 -8.576 -6.905 1.00 2.62 H new ATOM 0 HB ILE A 22 0.866 -7.389 -7.172 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -0.996 -6.837 -4.854 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.092 -8.339 -4.847 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.330 -5.222 -6.951 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.900 -6.126 -8.374 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.883 -6.089 -6.892 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.183 -6.544 -3.701 1.00 2.47 H new ATOM 0 HD12 ILE A 22 2.037 -7.075 -5.169 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.119 -5.550 -5.176 1.00 2.47 H new ATOM 331 N LYS A 23 -2.041 -8.651 -9.391 1.00 3.62 N ATOM 332 CA LYS A 23 -2.109 -8.670 -10.881 1.00 4.61 C ATOM 333 C LYS A 23 -1.861 -7.251 -11.414 1.00 5.00 C ATOM 334 O LYS A 23 -1.413 -7.073 -12.532 1.00 5.88 O ATOM 335 CB LYS A 23 -3.497 -9.150 -11.325 1.00 5.10 C ATOM 336 CG LYS A 23 -3.443 -10.640 -11.670 1.00 5.85 C ATOM 337 CD LYS A 23 -4.312 -10.913 -12.901 1.00 6.35 C ATOM 338 CE LYS A 23 -4.159 -12.377 -13.326 1.00 6.93 C ATOM 339 NZ LYS A 23 -2.980 -12.517 -14.229 1.00 7.72 N ATOM 0 H LYS A 23 -2.945 -8.626 -8.919 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.351 -9.347 -11.275 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -4.223 -8.977 -10.531 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -3.830 -8.578 -12.191 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -2.414 -10.942 -11.865 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -3.795 -11.232 -10.825 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -5.356 -10.697 -12.676 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -4.019 -10.254 -13.718 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -4.034 -13.010 -12.447 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -5.062 -12.714 -13.835 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -2.879 -13.512 -14.516 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -3.117 -11.925 -15.073 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -2.121 -12.212 -13.728 1.00 7.72 H new ATOM 353 N GLU A 24 -2.147 -6.239 -10.618 1.00 4.51 N ATOM 354 CA GLU A 24 -1.927 -4.830 -11.072 1.00 5.13 C ATOM 355 C GLU A 24 -1.641 -3.939 -9.853 1.00 4.55 C ATOM 356 O GLU A 24 -2.499 -3.746 -9.010 1.00 4.65 O ATOM 357 CB GLU A 24 -3.182 -4.323 -11.792 1.00 5.78 C ATOM 358 CG GLU A 24 -3.054 -4.586 -13.295 1.00 6.35 C ATOM 359 CD GLU A 24 -3.963 -3.623 -14.063 1.00 7.36 C ATOM 360 OE1 GLU A 24 -3.562 -2.486 -14.253 1.00 7.77 O ATOM 361 OE2 GLU A 24 -5.043 -4.038 -14.448 1.00 7.92 O ATOM 0 H GLU A 24 -2.523 -6.334 -9.675 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.078 -4.796 -11.755 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.066 -4.824 -11.399 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -3.312 -3.256 -11.609 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.019 -4.455 -13.611 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.328 -5.617 -13.519 1.00 6.35 H new HETATM 368 N MLE A 25 -0.445 -3.397 -9.744 1.00 4.25 N HETATM 369 CN MLE A 25 0.125 -2.824 -11.008 1.00 5.13 C HETATM 370 CA MLE A 25 -0.123 -2.526 -8.561 1.00 3.66 C HETATM 371 CB MLE A 25 1.241 -2.925 -7.974 1.00 3.52 C HETATM 372 CG MLE A 25 1.733 -1.829 -7.012 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.231 -2.462 -5.715 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.873 -1.037 -7.667 1.00 3.54 C HETATM 375 C MLE A 25 -0.074 -1.053 -8.995 1.00 4.19 C HETATM 376 O MLE A 25 0.880 -0.612 -9.614 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.698 -1.711 -7.898 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.514 -0.575 -8.586 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.218 -0.262 -6.982 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.418 -3.015 -5.244 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.053 -3.143 -5.935 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.578 -1.681 -5.039 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.295 -1.833 -11.180 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.208 -2.747 -10.917 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.123 -3.474 -11.847 1.00 5.13 H new HETATM 0 HG MLE A 25 0.906 -1.155 -6.789 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.157 -3.875 -7.446 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.965 -3.070 -8.776 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.898 -2.658 -7.806 1.00 3.66 H new ATOM 390 N ARG A 26 -1.082 -0.288 -8.683 1.00 4.14 N ATOM 391 CA ARG A 26 -1.060 1.143 -9.091 1.00 4.79 C ATOM 392 C ARG A 26 -1.150 2.046 -7.851 1.00 4.70 C ATOM 393 O ARG A 26 -2.001 1.865 -7.003 1.00 4.97 O ATOM 394 CB ARG A 26 -2.232 1.441 -10.039 1.00 5.59 C ATOM 395 CG ARG A 26 -3.525 0.820 -9.495 1.00 5.99 C ATOM 396 CD ARG A 26 -4.723 1.681 -9.905 1.00 6.35 C ATOM 397 NE ARG A 26 -5.578 1.947 -8.712 1.00 7.16 N ATOM 398 CZ ARG A 26 -6.472 2.899 -8.747 1.00 7.92 C ATOM 399 NH1 ARG A 26 -6.118 4.137 -8.519 1.00 8.52 N ATOM 400 NH2 ARG A 26 -7.721 2.611 -9.012 1.00 8.32 N ATOM 0 H ARG A 26 -1.911 -0.587 -8.169 1.00 4.14 H new ATOM 0 HA ARG A 26 -0.123 1.345 -9.611 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.356 2.518 -10.149 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -2.018 1.042 -11.031 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.644 -0.193 -9.880 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.474 0.744 -8.409 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.378 2.621 -10.335 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -5.303 1.172 -10.675 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.465 1.385 -7.868 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -5.144 4.359 -8.314 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -6.816 4.880 -8.546 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -7.995 1.645 -9.191 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -8.421 3.353 -9.040 1.00 8.32 H new ATOM 414 N VAL A 27 -0.275 3.014 -7.744 1.00 4.69 N ATOM 415 CA VAL A 27 -0.298 3.931 -6.569 1.00 4.83 C ATOM 416 C VAL A 27 -0.876 5.290 -6.985 1.00 4.79 C ATOM 417 O VAL A 27 -0.781 5.686 -8.133 1.00 5.45 O ATOM 418 CB VAL A 27 1.131 4.118 -6.043 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.634 2.807 -5.438 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.068 4.538 -7.184 1.00 6.04 C ATOM 0 H VAL A 27 0.458 3.208 -8.426 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.922 3.502 -5.785 1.00 4.83 H new ATOM 0 HB VAL A 27 1.122 4.897 -5.281 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.649 2.944 -5.066 1.00 6.10 H new ATOM 0 HG12 VAL A 27 0.982 2.512 -4.615 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.629 2.029 -6.201 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.078 4.667 -6.796 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.071 3.767 -7.955 1.00 6.04 H new ATOM 0 HG23 VAL A 27 1.721 5.478 -7.612 1.00 6.04 H new ATOM 430 N ILE A 28 -1.463 6.013 -6.059 1.00 4.28 N ATOM 431 CA ILE A 28 -2.035 7.351 -6.402 1.00 4.40 C ATOM 432 C ILE A 28 -1.190 8.436 -5.730 1.00 4.70 C ATOM 433 O ILE A 28 -0.891 8.357 -4.553 1.00 5.01 O ATOM 434 CB ILE A 28 -3.487 7.442 -5.910 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.360 6.472 -6.718 1.00 4.94 C ATOM 436 CG2 ILE A 28 -4.009 8.872 -6.099 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.785 6.474 -6.159 1.00 5.05 C ATOM 0 H ILE A 28 -1.569 5.733 -5.084 1.00 4.28 H new ATOM 0 HA ILE A 28 -2.023 7.490 -7.483 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.527 7.179 -4.853 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -4.370 6.765 -7.768 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.942 5.466 -6.672 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -5.039 8.932 -5.749 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.390 9.564 -5.527 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.969 9.137 -7.155 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.403 5.784 -6.735 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.767 6.160 -5.115 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -6.202 7.479 -6.229 1.00 5.05 H new ATOM 449 N GLU A 29 -0.805 9.447 -6.470 1.00 5.08 N ATOM 450 CA GLU A 29 0.024 10.541 -5.888 1.00 5.75 C ATOM 451 C GLU A 29 -0.828 11.402 -4.946 1.00 5.30 C ATOM 452 O GLU A 29 -2.031 11.238 -4.850 1.00 4.95 O ATOM 453 CB GLU A 29 0.572 11.414 -7.019 1.00 6.63 C ATOM 454 CG GLU A 29 1.619 10.629 -7.818 1.00 7.40 C ATOM 455 CD GLU A 29 1.441 10.906 -9.314 1.00 8.35 C ATOM 456 OE1 GLU A 29 0.496 10.386 -9.885 1.00 8.53 O ATOM 457 OE2 GLU A 29 2.253 11.631 -9.863 1.00 9.09 O ATOM 0 H GLU A 29 -1.032 9.559 -7.458 1.00 5.08 H new ATOM 0 HA GLU A 29 0.849 10.105 -5.324 1.00 5.75 H new ATOM 0 HB2 GLU A 29 -0.240 11.728 -7.675 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.018 12.320 -6.608 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.622 10.916 -7.502 1.00 7.40 H new ATOM 0 HG3 GLU A 29 1.516 9.562 -7.621 1.00 7.40 H new ATOM 464 N SER A 30 -0.205 12.321 -4.251 1.00 5.67 N ATOM 465 CA SER A 30 -0.957 13.202 -3.310 1.00 5.68 C ATOM 466 C SER A 30 -1.091 14.607 -3.913 1.00 6.20 C ATOM 467 O SER A 30 -0.395 14.966 -4.845 1.00 6.77 O ATOM 468 CB SER A 30 -0.212 13.289 -1.973 1.00 6.35 C ATOM 469 OG SER A 30 1.186 13.138 -2.186 1.00 7.18 O ATOM 0 H SER A 30 0.798 12.498 -4.297 1.00 5.67 H new ATOM 0 HA SER A 30 -1.949 12.782 -3.144 1.00 5.68 H new ATOM 0 HB2 SER A 30 -0.414 14.248 -1.496 1.00 6.35 H new ATOM 0 HB3 SER A 30 -0.571 12.514 -1.296 1.00 6.35 H new ATOM 0 HG SER A 30 1.496 12.314 -1.754 1.00 7.18 H new ATOM 475 N GLY A 31 -1.990 15.398 -3.385 1.00 6.36 N ATOM 476 CA GLY A 31 -2.194 16.783 -3.912 1.00 7.19 C ATOM 477 C GLY A 31 -3.146 17.540 -2.977 1.00 7.66 C ATOM 478 O GLY A 31 -3.156 17.295 -1.784 1.00 7.75 O ATOM 0 H GLY A 31 -2.596 15.142 -2.606 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -1.239 17.304 -3.979 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.608 16.745 -4.920 1.00 7.19 H new ATOM 482 N PRO A 32 -3.945 18.417 -3.546 1.00 8.17 N ATOM 483 CA PRO A 32 -4.941 19.193 -2.777 1.00 8.85 C ATOM 484 C PRO A 32 -6.100 18.265 -2.388 1.00 8.11 C ATOM 485 O PRO A 32 -6.652 18.357 -1.307 1.00 8.52 O ATOM 486 CB PRO A 32 -5.385 20.287 -3.754 1.00 9.69 C ATOM 487 CG PRO A 32 -5.051 19.764 -5.170 1.00 9.20 C ATOM 488 CD PRO A 32 -3.940 18.711 -4.997 1.00 8.39 C ATOM 0 HA PRO A 32 -4.560 19.620 -1.849 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -6.452 20.487 -3.655 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.865 21.223 -3.552 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.932 19.325 -5.639 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -4.718 20.577 -5.815 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -4.143 17.817 -5.586 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.973 19.094 -5.323 1.00 8.39 H new ATOM 496 N HIS A 33 -6.438 17.351 -3.268 1.00 7.21 N ATOM 497 CA HIS A 33 -7.527 16.361 -2.996 1.00 6.64 C ATOM 498 C HIS A 33 -7.184 15.556 -1.732 1.00 5.94 C ATOM 499 O HIS A 33 -8.049 15.223 -0.944 1.00 6.05 O ATOM 500 CB HIS A 33 -7.654 15.399 -4.197 1.00 6.27 C ATOM 501 CG HIS A 33 -6.320 14.736 -4.473 1.00 5.79 C ATOM 502 ND1 HIS A 33 -5.310 15.367 -5.188 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.803 13.523 -4.094 1.00 4.91 C ATOM 504 CE1 HIS A 33 -4.246 14.546 -5.204 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.494 13.404 -4.555 1.00 5.23 N ATOM 0 H HIS A 33 -5.995 17.249 -4.181 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.470 16.888 -2.847 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.410 14.642 -3.989 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.987 15.947 -5.079 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -6.331 12.773 -3.524 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -3.306 14.780 -5.682 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.861 12.615 -4.425 1.00 5.23 H new ATOM 513 N CYS A 34 -5.921 15.250 -1.537 1.00 5.51 N ATOM 514 CA CYS A 34 -5.492 14.478 -0.343 1.00 5.12 C ATOM 515 C CYS A 34 -3.978 14.641 -0.163 1.00 5.54 C ATOM 516 O CYS A 34 -3.198 14.255 -1.014 1.00 5.84 O ATOM 517 CB CYS A 34 -5.836 12.998 -0.531 1.00 4.12 C ATOM 518 SG CYS A 34 -6.449 12.316 1.028 1.00 4.37 S ATOM 0 H CYS A 34 -5.164 15.510 -2.169 1.00 5.51 H new ATOM 0 HA CYS A 34 -6.010 14.850 0.541 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.590 12.885 -1.310 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.954 12.448 -0.859 1.00 4.12 H new ATOM 523 N ALA A 35 -3.560 15.222 0.936 1.00 5.90 N ATOM 524 CA ALA A 35 -2.098 15.432 1.180 1.00 6.66 C ATOM 525 C ALA A 35 -1.382 14.089 1.386 1.00 6.33 C ATOM 526 O ALA A 35 -0.233 13.934 1.018 1.00 6.77 O ATOM 527 CB ALA A 35 -1.910 16.302 2.425 1.00 7.59 C ATOM 0 H ALA A 35 -4.172 15.561 1.678 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.668 15.927 0.309 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.846 16.456 2.604 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -2.395 17.266 2.272 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.355 15.805 3.287 1.00 7.59 H new ATOM 533 N ASN A 36 -2.045 13.125 1.978 1.00 5.85 N ATOM 534 CA ASN A 36 -1.398 11.800 2.218 1.00 5.88 C ATOM 535 C ASN A 36 -1.440 10.951 0.941 1.00 5.34 C ATOM 536 O ASN A 36 -2.449 10.880 0.263 1.00 5.26 O ATOM 537 CB ASN A 36 -2.141 11.067 3.338 1.00 6.50 C ATOM 538 CG ASN A 36 -1.568 11.487 4.694 1.00 7.27 C ATOM 539 OD1 ASN A 36 -2.074 12.394 5.324 1.00 7.78 O ATOM 540 ND2 ASN A 36 -0.524 10.863 5.173 1.00 7.61 N ATOM 0 H ASN A 36 -3.008 13.200 2.305 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.359 11.960 2.505 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -3.205 11.298 3.294 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -2.043 9.989 3.208 1.00 6.50 H new ATOM 0 HD21 ASN A 36 -0.135 11.138 6.075 1.00 7.61 H new ATOM 0 HD22 ASN A 36 -0.098 10.101 4.645 1.00 7.61 H new ATOM 547 N THR A 37 -0.347 10.299 0.623 1.00 5.30 N ATOM 548 CA THR A 37 -0.302 9.433 -0.599 1.00 5.18 C ATOM 549 C THR A 37 -0.808 8.031 -0.227 1.00 4.58 C ATOM 550 O THR A 37 -0.773 7.643 0.927 1.00 4.95 O ATOM 551 CB THR A 37 1.144 9.347 -1.117 1.00 5.98 C ATOM 552 OG1 THR A 37 1.830 10.560 -0.830 1.00 6.76 O ATOM 553 CG2 THR A 37 1.138 9.118 -2.629 1.00 6.31 C ATOM 0 H THR A 37 0.520 10.329 1.160 1.00 5.30 H new ATOM 0 HA THR A 37 -0.932 9.857 -1.381 1.00 5.18 H new ATOM 0 HB THR A 37 1.649 8.517 -0.624 1.00 5.98 H new ATOM 0 HG1 THR A 37 2.751 10.501 -1.160 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.164 9.058 -2.992 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.618 8.187 -2.854 1.00 6.31 H new ATOM 0 HG23 THR A 37 0.627 9.946 -3.120 1.00 6.31 H new ATOM 561 N GLU A 38 -1.289 7.269 -1.185 1.00 3.94 N ATOM 562 CA GLU A 38 -1.804 5.903 -0.859 1.00 3.67 C ATOM 563 C GLU A 38 -1.477 4.927 -1.992 1.00 2.99 C ATOM 564 O GLU A 38 -1.574 5.261 -3.160 1.00 3.33 O ATOM 565 CB GLU A 38 -3.325 5.967 -0.668 1.00 4.35 C ATOM 566 CG GLU A 38 -3.743 5.044 0.480 1.00 4.96 C ATOM 567 CD GLU A 38 -3.480 5.736 1.821 1.00 5.76 C ATOM 568 OE1 GLU A 38 -4.346 6.470 2.268 1.00 6.28 O ATOM 569 OE2 GLU A 38 -2.416 5.519 2.380 1.00 6.10 O ATOM 0 H GLU A 38 -1.346 7.533 -2.169 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.328 5.554 0.057 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.631 6.991 -0.453 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.829 5.670 -1.588 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.800 4.792 0.391 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -3.187 4.108 0.428 1.00 4.96 H new ATOM 576 N ILE A 39 -1.106 3.715 -1.652 1.00 2.48 N ATOM 577 CA ILE A 39 -0.787 2.702 -2.700 1.00 2.38 C ATOM 578 C ILE A 39 -2.048 1.866 -2.973 1.00 2.16 C ATOM 579 O ILE A 39 -2.951 1.818 -2.159 1.00 2.22 O ATOM 580 CB ILE A 39 0.357 1.803 -2.187 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.677 2.588 -2.217 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.495 0.553 -3.066 1.00 3.44 C ATOM 583 CD1 ILE A 39 2.289 2.639 -0.814 1.00 2.94 C ATOM 0 H ILE A 39 -1.011 3.386 -0.691 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.471 3.185 -3.625 1.00 2.38 H new ATOM 0 HB ILE A 39 0.128 1.495 -1.167 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.374 2.117 -2.910 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.500 3.600 -2.582 1.00 2.79 H new ATOM 0 HG21 ILE A 39 1.307 -0.069 -2.689 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.436 -0.013 -3.043 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.713 0.852 -4.091 1.00 3.44 H new ATOM 0 HD11 ILE A 39 3.225 3.198 -0.845 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.595 3.131 -0.132 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.483 1.625 -0.465 1.00 2.94 H new ATOM 595 N ILE A 40 -2.119 1.211 -4.109 1.00 2.34 N ATOM 596 CA ILE A 40 -3.316 0.369 -4.421 1.00 2.36 C ATOM 597 C ILE A 40 -2.870 -0.846 -5.238 1.00 2.37 C ATOM 598 O ILE A 40 -2.075 -0.736 -6.151 1.00 3.02 O ATOM 599 CB ILE A 40 -4.357 1.166 -5.220 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.723 2.447 -4.461 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.614 0.307 -5.400 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.576 3.353 -5.353 1.00 4.01 C ATOM 0 H ILE A 40 -1.400 1.224 -4.832 1.00 2.34 H new ATOM 0 HA ILE A 40 -3.774 0.050 -3.485 1.00 2.36 H new ATOM 0 HB ILE A 40 -3.944 1.430 -6.194 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.270 2.198 -3.551 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -3.817 2.971 -4.155 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.359 0.866 -5.967 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.357 -0.605 -5.939 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.021 0.048 -4.422 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -5.833 4.262 -4.809 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.014 3.614 -6.250 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.489 2.829 -5.636 1.00 4.01 H new ATOM 614 N VAL A 41 -3.375 -2.004 -4.907 1.00 2.04 N ATOM 615 CA VAL A 41 -2.997 -3.236 -5.635 1.00 2.10 C ATOM 616 C VAL A 41 -4.255 -4.077 -5.897 1.00 2.33 C ATOM 617 O VAL A 41 -5.287 -3.877 -5.281 1.00 2.79 O ATOM 618 CB VAL A 41 -2.009 -4.037 -4.785 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.694 -3.267 -4.654 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.591 -4.295 -3.389 1.00 3.20 C ATOM 0 H VAL A 41 -4.044 -2.144 -4.150 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.532 -2.977 -6.586 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.825 -4.993 -5.275 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.006 -3.842 -4.048 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.268 -3.104 -5.644 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.882 -2.305 -4.177 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.876 -4.866 -2.797 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.792 -3.343 -2.897 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.519 -4.859 -3.480 1.00 3.20 H new ATOM 630 N LYS A 42 -4.169 -5.015 -6.800 1.00 2.44 N ATOM 631 CA LYS A 42 -5.343 -5.883 -7.112 1.00 2.97 C ATOM 632 C LYS A 42 -4.912 -7.353 -7.034 1.00 2.77 C ATOM 633 O LYS A 42 -4.253 -7.861 -7.923 1.00 2.98 O ATOM 634 CB LYS A 42 -5.852 -5.568 -8.525 1.00 3.77 C ATOM 635 CG LYS A 42 -7.246 -4.941 -8.445 1.00 4.68 C ATOM 636 CD LYS A 42 -7.944 -5.073 -9.802 1.00 5.42 C ATOM 637 CE LYS A 42 -7.457 -3.967 -10.744 1.00 5.72 C ATOM 638 NZ LYS A 42 -7.768 -4.338 -12.155 1.00 6.76 N ATOM 0 H LYS A 42 -3.329 -5.220 -7.340 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.142 -5.697 -6.394 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -5.165 -4.886 -9.026 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.887 -6.480 -9.121 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -7.835 -5.435 -7.672 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.168 -3.891 -8.165 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -7.735 -6.051 -10.235 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -9.024 -5.005 -9.674 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -7.938 -3.022 -10.491 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -6.384 -3.820 -10.624 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -7.437 -3.586 -12.793 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -7.289 -5.230 -12.393 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -8.795 -4.457 -12.264 1.00 6.76 H new ATOM 652 N LEU A 43 -5.272 -8.035 -5.973 1.00 3.01 N ATOM 653 CA LEU A 43 -4.882 -9.469 -5.819 1.00 3.31 C ATOM 654 C LEU A 43 -5.486 -10.311 -6.944 1.00 3.92 C ATOM 655 O LEU A 43 -6.583 -10.051 -7.411 1.00 4.54 O ATOM 656 CB LEU A 43 -5.390 -9.993 -4.477 1.00 4.01 C ATOM 657 CG LEU A 43 -4.483 -9.479 -3.351 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.153 -9.713 -1.995 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.142 -10.222 -3.389 1.00 3.91 C ATOM 0 H LEU A 43 -5.823 -7.655 -5.203 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.795 -9.542 -5.863 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.416 -9.664 -4.311 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.401 -11.083 -4.481 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.313 -8.411 -3.491 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.504 -9.346 -1.200 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.104 -9.181 -1.962 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.330 -10.780 -1.856 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.500 -9.855 -2.588 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.314 -11.290 -3.256 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.658 -10.050 -4.350 1.00 3.91 H new ATOM 671 N SER A 44 -4.764 -11.321 -7.369 1.00 3.99 N ATOM 672 CA SER A 44 -5.243 -12.218 -8.466 1.00 4.72 C ATOM 673 C SER A 44 -6.588 -12.863 -8.102 1.00 5.55 C ATOM 674 O SER A 44 -7.362 -13.215 -8.972 1.00 6.08 O ATOM 675 CB SER A 44 -4.208 -13.320 -8.712 1.00 4.98 C ATOM 676 OG SER A 44 -4.285 -13.739 -10.069 1.00 5.08 O ATOM 0 H SER A 44 -3.847 -11.564 -6.994 1.00 3.99 H new ATOM 0 HA SER A 44 -5.376 -11.618 -9.366 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.207 -12.952 -8.489 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.393 -14.164 -8.047 1.00 4.98 H new ATOM 0 HG SER A 44 -3.623 -14.443 -10.232 1.00 5.08 H new ATOM 682 N ASP A 45 -6.879 -13.014 -6.827 1.00 5.91 N ATOM 683 CA ASP A 45 -8.178 -13.625 -6.417 1.00 7.02 C ATOM 684 C ASP A 45 -9.344 -12.672 -6.743 1.00 7.25 C ATOM 685 O ASP A 45 -10.498 -13.032 -6.603 1.00 8.19 O ATOM 686 CB ASP A 45 -8.160 -13.903 -4.908 1.00 7.64 C ATOM 687 CG ASP A 45 -7.166 -15.027 -4.601 1.00 8.01 C ATOM 688 OD1 ASP A 45 -7.494 -16.172 -4.866 1.00 8.63 O ATOM 689 OD2 ASP A 45 -6.094 -14.724 -4.103 1.00 7.89 O ATOM 0 H ASP A 45 -6.269 -12.739 -6.057 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.316 -14.557 -6.965 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.881 -13.000 -4.366 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -9.157 -14.184 -4.568 1.00 7.64 H new ATOM 694 N GLY A 46 -9.051 -11.460 -7.164 1.00 6.57 N ATOM 695 CA GLY A 46 -10.130 -10.482 -7.482 1.00 7.07 C ATOM 696 C GLY A 46 -10.341 -9.571 -6.273 1.00 6.74 C ATOM 697 O GLY A 46 -11.452 -9.173 -5.977 1.00 7.17 O ATOM 0 H GLY A 46 -8.102 -11.111 -7.300 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.858 -9.891 -8.357 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -11.054 -11.006 -7.726 1.00 7.07 H new ATOM 701 N ARG A 47 -9.283 -9.250 -5.563 1.00 6.21 N ATOM 702 CA ARG A 47 -9.422 -8.381 -4.362 1.00 6.07 C ATOM 703 C ARG A 47 -8.770 -7.016 -4.619 1.00 5.32 C ATOM 704 O ARG A 47 -8.019 -6.842 -5.560 1.00 5.06 O ATOM 705 CB ARG A 47 -8.727 -9.068 -3.184 1.00 6.43 C ATOM 706 CG ARG A 47 -9.320 -8.571 -1.862 1.00 7.27 C ATOM 707 CD ARG A 47 -9.887 -9.757 -1.076 1.00 7.96 C ATOM 708 NE ARG A 47 -10.061 -9.373 0.355 1.00 8.82 N ATOM 709 CZ ARG A 47 -11.005 -9.927 1.071 1.00 9.62 C ATOM 710 NH1 ARG A 47 -10.859 -11.152 1.511 1.00 10.10 N ATOM 711 NH2 ARG A 47 -12.096 -9.257 1.345 1.00 10.15 N ATOM 0 H ARG A 47 -8.332 -9.555 -5.768 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.478 -8.226 -4.140 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.846 -10.149 -3.261 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.657 -8.862 -3.212 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.553 -8.066 -1.275 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -10.106 -7.841 -2.056 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -10.844 -10.063 -1.500 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -9.216 -10.612 -1.154 1.00 7.96 H new ATOM 0 HE ARG A 47 -9.444 -8.678 0.775 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -10.009 -11.674 1.295 1.00 10.10 H new ATOM 0 HH12 ARG A 47 -11.595 -11.584 2.069 1.00 10.10 H new ATOM 0 HH21 ARG A 47 -12.209 -8.304 1.000 1.00 10.15 H new ATOM 0 HH22 ARG A 47 -12.833 -9.688 1.903 1.00 10.15 H new ATOM 725 N GLU A 48 -9.051 -6.055 -3.776 1.00 5.24 N ATOM 726 CA GLU A 48 -8.453 -4.699 -3.930 1.00 4.73 C ATOM 727 C GLU A 48 -7.973 -4.237 -2.552 1.00 4.69 C ATOM 728 O GLU A 48 -8.769 -3.969 -1.670 1.00 5.44 O ATOM 729 CB GLU A 48 -9.504 -3.721 -4.470 1.00 5.60 C ATOM 730 CG GLU A 48 -8.809 -2.494 -5.076 1.00 5.76 C ATOM 731 CD GLU A 48 -8.515 -1.466 -3.978 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.397 -0.680 -3.675 1.00 7.12 O ATOM 733 OE2 GLU A 48 -7.410 -1.478 -3.460 1.00 7.44 O ATOM 0 H GLU A 48 -9.678 -6.156 -2.978 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.620 -4.731 -4.632 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.118 -4.213 -5.225 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.173 -3.412 -3.667 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -7.881 -2.794 -5.563 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -9.442 -2.049 -5.843 1.00 5.76 H new ATOM 740 N LEU A 49 -6.681 -4.154 -2.354 1.00 4.08 N ATOM 741 CA LEU A 49 -6.157 -3.722 -1.021 1.00 4.35 C ATOM 742 C LEU A 49 -5.241 -2.513 -1.186 1.00 3.99 C ATOM 743 O LEU A 49 -4.258 -2.566 -1.894 1.00 3.87 O ATOM 744 CB LEU A 49 -5.353 -4.862 -0.387 1.00 4.67 C ATOM 745 CG LEU A 49 -6.107 -5.433 0.818 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.174 -6.418 0.343 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.121 -6.164 1.732 1.00 4.69 C ATOM 0 H LEU A 49 -5.969 -4.365 -3.053 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.001 -3.460 -0.383 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.180 -5.648 -1.122 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.375 -4.497 -0.074 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.584 -4.618 1.362 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.707 -6.821 1.204 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.878 -5.904 -0.311 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.699 -7.233 -0.203 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.654 -6.572 2.591 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.647 -6.976 1.180 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.358 -5.466 2.077 1.00 4.69 H new ATOM 759 N CYS A 50 -5.530 -1.437 -0.507 1.00 3.99 N ATOM 760 CA CYS A 50 -4.645 -0.243 -0.601 1.00 3.63 C ATOM 761 C CYS A 50 -3.505 -0.458 0.380 1.00 3.49 C ATOM 762 O CYS A 50 -3.728 -0.831 1.510 1.00 4.14 O ATOM 763 CB CYS A 50 -5.382 1.039 -0.231 1.00 3.72 C ATOM 764 SG CYS A 50 -7.179 0.818 -0.326 1.00 4.64 S ATOM 0 H CYS A 50 -6.338 -1.333 0.107 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.292 -0.133 -1.626 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.104 1.342 0.778 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -5.077 1.843 -0.901 1.00 3.72 H new ATOM 769 N LEU A 51 -2.289 -0.261 -0.038 1.00 2.91 N ATOM 770 CA LEU A 51 -1.145 -0.495 0.875 1.00 2.96 C ATOM 771 C LEU A 51 -0.757 0.784 1.607 1.00 3.35 C ATOM 772 O LEU A 51 -1.011 1.890 1.159 1.00 3.56 O ATOM 773 CB LEU A 51 0.051 -1.006 0.082 1.00 2.71 C ATOM 774 CG LEU A 51 -0.312 -2.279 -0.711 1.00 2.56 C ATOM 775 CD1 LEU A 51 0.933 -3.150 -0.857 1.00 2.98 C ATOM 776 CD2 LEU A 51 -1.391 -3.092 0.020 1.00 2.61 C ATOM 0 H LEU A 51 -2.039 0.053 -0.976 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.446 -1.239 1.613 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.394 -0.232 -0.604 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.877 -1.219 0.760 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.692 -1.979 -1.687 1.00 2.56 H new ATOM 0 HD11 LEU A 51 0.683 -4.051 -1.417 1.00 2.98 H new ATOM 0 HD12 LEU A 51 1.705 -2.595 -1.390 1.00 2.98 H new ATOM 0 HD13 LEU A 51 1.301 -3.427 0.131 1.00 2.98 H new ATOM 0 HD21 LEU A 51 -1.629 -3.984 -0.559 1.00 2.61 H new ATOM 0 HD22 LEU A 51 -1.022 -3.385 1.003 1.00 2.61 H new ATOM 0 HD23 LEU A 51 -2.288 -2.484 0.136 1.00 2.61 H new ATOM 788 N ASP A 52 -0.135 0.612 2.741 1.00 3.84 N ATOM 789 CA ASP A 52 0.300 1.766 3.570 1.00 4.35 C ATOM 790 C ASP A 52 1.822 1.945 3.438 1.00 4.47 C ATOM 791 O ASP A 52 2.582 1.067 3.814 1.00 4.73 O ATOM 792 CB ASP A 52 -0.060 1.482 5.036 1.00 4.93 C ATOM 793 CG ASP A 52 -0.276 2.798 5.796 1.00 5.39 C ATOM 794 OD1 ASP A 52 0.499 3.720 5.597 1.00 5.40 O ATOM 795 OD2 ASP A 52 -1.214 2.858 6.574 1.00 5.96 O ATOM 0 H ASP A 52 0.094 -0.301 3.134 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.198 2.676 3.235 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -0.963 0.874 5.085 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.737 0.908 5.509 1.00 4.93 H new ATOM 800 N PRO A 53 2.227 3.086 2.922 1.00 4.54 N ATOM 801 CA PRO A 53 3.657 3.403 2.738 1.00 4.96 C ATOM 802 C PRO A 53 4.359 3.639 4.088 1.00 5.21 C ATOM 803 O PRO A 53 5.568 3.771 4.141 1.00 5.67 O ATOM 804 CB PRO A 53 3.641 4.667 1.869 1.00 5.26 C ATOM 805 CG PRO A 53 2.245 5.305 2.054 1.00 5.04 C ATOM 806 CD PRO A 53 1.308 4.168 2.498 1.00 4.55 C ATOM 0 HA PRO A 53 4.215 2.590 2.274 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.427 5.358 2.173 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.820 4.421 0.822 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.276 6.098 2.801 1.00 5.04 H new ATOM 0 HG3 PRO A 53 1.897 5.756 1.125 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.659 4.483 3.315 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.660 3.844 1.683 1.00 4.55 H new ATOM 814 N LYS A 54 3.619 3.672 5.179 1.00 5.18 N ATOM 815 CA LYS A 54 4.248 3.874 6.512 1.00 5.61 C ATOM 816 C LYS A 54 5.188 2.702 6.827 1.00 5.02 C ATOM 817 O LYS A 54 6.148 2.858 7.560 1.00 5.42 O ATOM 818 CB LYS A 54 3.165 3.956 7.594 1.00 6.23 C ATOM 819 CG LYS A 54 2.983 5.413 8.030 1.00 7.12 C ATOM 820 CD LYS A 54 1.841 6.047 7.234 1.00 7.85 C ATOM 821 CE LYS A 54 1.763 7.541 7.553 1.00 8.63 C ATOM 822 NZ LYS A 54 0.660 8.160 6.763 1.00 9.56 N ATOM 0 H LYS A 54 2.605 3.566 5.193 1.00 5.18 H new ATOM 0 HA LYS A 54 4.816 4.804 6.496 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.224 3.560 7.212 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.445 3.342 8.450 1.00 6.23 H new ATOM 0 HG2 LYS A 54 2.766 5.460 9.097 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.906 5.970 7.868 1.00 7.12 H new ATOM 0 HD2 LYS A 54 2.003 5.901 6.166 1.00 7.85 H new ATOM 0 HD3 LYS A 54 0.897 5.562 7.483 1.00 7.85 H new ATOM 0 HE2 LYS A 54 1.588 7.688 8.619 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.711 8.025 7.316 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 0.606 9.176 6.979 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 0.846 8.031 5.748 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 -0.242 7.705 7.010 1.00 9.56 H new ATOM 836 N GLU A 55 4.930 1.531 6.277 1.00 4.37 N ATOM 837 CA GLU A 55 5.820 0.371 6.545 1.00 4.14 C ATOM 838 C GLU A 55 6.973 0.380 5.546 1.00 3.84 C ATOM 839 O GLU A 55 6.977 1.127 4.583 1.00 3.83 O ATOM 840 CB GLU A 55 5.040 -0.937 6.382 1.00 4.19 C ATOM 841 CG GLU A 55 4.245 -1.241 7.655 1.00 4.76 C ATOM 842 CD GLU A 55 4.703 -2.573 8.258 1.00 5.39 C ATOM 843 OE1 GLU A 55 5.881 -2.700 8.550 1.00 5.43 O ATOM 844 OE2 GLU A 55 3.865 -3.443 8.425 1.00 6.13 O ATOM 0 H GLU A 55 4.142 1.340 5.658 1.00 4.37 H new ATOM 0 HA GLU A 55 6.201 0.444 7.564 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.363 -0.862 5.531 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.728 -1.755 6.170 1.00 4.19 H new ATOM 0 HG2 GLU A 55 4.383 -0.439 8.380 1.00 4.76 H new ATOM 0 HG3 GLU A 55 3.180 -1.284 7.426 1.00 4.76 H new ATOM 851 N ASN A 56 7.933 -0.467 5.762 1.00 3.90 N ATOM 852 CA ASN A 56 9.090 -0.556 4.830 1.00 3.93 C ATOM 853 C ASN A 56 8.847 -1.687 3.828 1.00 3.74 C ATOM 854 O ASN A 56 9.485 -1.754 2.796 1.00 3.89 O ATOM 855 CB ASN A 56 10.358 -0.836 5.620 1.00 4.29 C ATOM 856 CG ASN A 56 11.350 0.312 5.421 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.122 1.415 5.880 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.451 0.102 4.750 1.00 5.15 N ATOM 0 H ASN A 56 7.968 -1.110 6.553 1.00 3.90 H new ATOM 0 HA ASN A 56 9.201 0.386 4.294 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.122 -0.947 6.678 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.803 -1.776 5.292 1.00 4.29 H new ATOM 0 HD21 ASN A 56 13.117 0.862 4.612 1.00 5.15 H new ATOM 0 HD22 ASN A 56 12.645 -0.822 4.364 1.00 5.15 H new ATOM 865 N TRP A 57 7.923 -2.575 4.125 1.00 3.55 N ATOM 866 CA TRP A 57 7.631 -3.695 3.202 1.00 3.47 C ATOM 867 C TRP A 57 6.772 -3.197 2.044 1.00 3.28 C ATOM 868 O TRP A 57 6.934 -3.624 0.926 1.00 3.48 O ATOM 869 CB TRP A 57 6.926 -4.821 3.967 1.00 3.64 C ATOM 870 CG TRP A 57 5.513 -4.478 4.296 1.00 3.70 C ATOM 871 CD1 TRP A 57 5.100 -4.024 5.485 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.324 -4.577 3.458 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.733 -3.861 5.451 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.207 -4.175 4.221 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.108 -4.973 2.130 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.918 -4.166 3.691 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.815 -4.961 1.588 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.720 -4.558 2.367 1.00 3.38 C ATOM 0 H TRP A 57 7.361 -2.562 4.976 1.00 3.55 H new ATOM 0 HA TRP A 57 8.562 -4.088 2.792 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.947 -5.733 3.370 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.471 -5.030 4.887 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.736 -3.819 6.334 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.177 -3.545 6.245 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.942 -5.289 1.521 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 1.080 -3.858 4.300 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.661 -5.264 0.563 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.727 -4.551 1.943 1.00 3.38 H new ATOM 889 N VAL A 58 5.865 -2.288 2.301 1.00 3.02 N ATOM 890 CA VAL A 58 5.008 -1.753 1.199 1.00 2.84 C ATOM 891 C VAL A 58 5.898 -0.991 0.206 1.00 2.99 C ATOM 892 O VAL A 58 5.767 -1.143 -0.995 1.00 3.21 O ATOM 893 CB VAL A 58 3.949 -0.813 1.793 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.476 0.204 0.749 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.752 -1.629 2.270 1.00 2.85 C ATOM 0 H VAL A 58 5.681 -1.894 3.224 1.00 3.02 H new ATOM 0 HA VAL A 58 4.505 -2.569 0.680 1.00 2.84 H new ATOM 0 HB VAL A 58 4.397 -0.277 2.630 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.726 0.859 1.193 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.324 0.800 0.411 1.00 2.80 H new ATOM 0 HG13 VAL A 58 3.041 -0.322 -0.101 1.00 2.80 H new ATOM 0 HG21 VAL A 58 2.001 -0.961 2.691 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.323 -2.172 1.428 1.00 2.85 H new ATOM 0 HG23 VAL A 58 3.075 -2.338 3.032 1.00 2.85 H new ATOM 905 N GLN A 59 6.805 -0.183 0.702 1.00 3.12 N ATOM 906 CA GLN A 59 7.712 0.584 -0.202 1.00 3.61 C ATOM 907 C GLN A 59 8.756 -0.359 -0.820 1.00 3.90 C ATOM 908 O GLN A 59 9.216 -0.140 -1.926 1.00 4.47 O ATOM 909 CB GLN A 59 8.403 1.702 0.578 1.00 3.82 C ATOM 910 CG GLN A 59 9.092 1.117 1.800 1.00 4.33 C ATOM 911 CD GLN A 59 9.900 2.203 2.516 1.00 4.72 C ATOM 912 OE1 GLN A 59 11.115 2.179 2.503 1.00 4.84 O ATOM 913 NE2 GLN A 59 9.275 3.162 3.147 1.00 5.29 N ATOM 0 H GLN A 59 6.954 -0.023 1.698 1.00 3.12 H new ATOM 0 HA GLN A 59 7.123 1.029 -1.004 1.00 3.61 H new ATOM 0 HB2 GLN A 59 9.132 2.206 -0.057 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.673 2.452 0.883 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.350 0.697 2.479 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.749 0.301 1.501 1.00 4.33 H new ATOM 0 HE21 GLN A 59 8.255 3.184 3.159 1.00 5.29 H new ATOM 0 HE22 GLN A 59 9.807 3.888 3.627 1.00 5.29 H new ATOM 922 N ARG A 60 9.110 -1.421 -0.128 1.00 3.65 N ATOM 923 CA ARG A 60 10.097 -2.395 -0.684 1.00 3.97 C ATOM 924 C ARG A 60 9.367 -3.282 -1.692 1.00 3.96 C ATOM 925 O ARG A 60 9.874 -3.571 -2.760 1.00 4.42 O ATOM 926 CB ARG A 60 10.662 -3.265 0.444 1.00 4.07 C ATOM 927 CG ARG A 60 11.912 -2.605 1.033 1.00 4.60 C ATOM 928 CD ARG A 60 12.228 -3.233 2.394 1.00 4.81 C ATOM 929 NE ARG A 60 13.653 -3.677 2.425 1.00 5.26 N ATOM 930 CZ ARG A 60 14.431 -3.313 3.410 1.00 5.84 C ATOM 931 NH1 ARG A 60 15.037 -2.154 3.369 1.00 6.35 N ATOM 932 NH2 ARG A 60 14.604 -4.107 4.435 1.00 6.25 N ATOM 0 H ARG A 60 8.754 -1.651 0.800 1.00 3.65 H new ATOM 0 HA ARG A 60 10.920 -1.865 -1.164 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.911 -3.401 1.222 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.908 -4.256 0.063 1.00 4.07 H new ATOM 0 HG2 ARG A 60 12.757 -2.733 0.356 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.752 -1.532 1.144 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.045 -2.511 3.190 1.00 4.81 H new ATOM 0 HD3 ARG A 60 11.569 -4.082 2.576 1.00 4.81 H new ATOM 0 HE ARG A 60 14.020 -4.265 1.677 1.00 5.26 H new ATOM 0 HH11 ARG A 60 14.902 -1.536 2.569 1.00 6.35 H new ATOM 0 HH12 ARG A 60 15.644 -1.869 4.137 1.00 6.35 H new ATOM 0 HH21 ARG A 60 14.132 -5.011 4.466 1.00 6.25 H new ATOM 0 HH22 ARG A 60 15.211 -3.823 5.204 1.00 6.25 H new ATOM 946 N VAL A 61 8.166 -3.695 -1.356 1.00 3.58 N ATOM 947 CA VAL A 61 7.358 -4.545 -2.277 1.00 3.55 C ATOM 948 C VAL A 61 7.111 -3.772 -3.579 1.00 3.25 C ATOM 949 O VAL A 61 7.197 -4.321 -4.659 1.00 3.52 O ATOM 950 CB VAL A 61 6.021 -4.882 -1.597 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.983 -5.302 -2.637 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.233 -6.026 -0.602 1.00 4.31 C ATOM 0 H VAL A 61 7.710 -3.474 -0.471 1.00 3.58 H new ATOM 0 HA VAL A 61 7.887 -5.470 -2.506 1.00 3.55 H new ATOM 0 HB VAL A 61 5.658 -3.996 -1.075 1.00 3.59 H new ATOM 0 HG11 VAL A 61 4.043 -5.537 -2.138 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.825 -4.487 -3.343 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.340 -6.182 -3.172 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.287 -6.267 -0.118 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.604 -6.904 -1.131 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.959 -5.722 0.152 1.00 4.31 H new ATOM 962 N VAL A 62 6.820 -2.497 -3.473 1.00 2.99 N ATOM 963 CA VAL A 62 6.582 -1.666 -4.693 1.00 3.22 C ATOM 964 C VAL A 62 7.869 -1.631 -5.532 1.00 3.80 C ATOM 965 O VAL A 62 7.837 -1.836 -6.730 1.00 4.15 O ATOM 966 CB VAL A 62 6.185 -0.241 -4.272 1.00 3.53 C ATOM 967 CG1 VAL A 62 6.302 0.715 -5.464 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.737 -0.244 -3.767 1.00 3.34 C ATOM 0 H VAL A 62 6.737 -1.995 -2.589 1.00 2.99 H new ATOM 0 HA VAL A 62 5.775 -2.096 -5.287 1.00 3.22 H new ATOM 0 HB VAL A 62 6.854 0.093 -3.479 1.00 3.53 H new ATOM 0 HG11 VAL A 62 6.018 1.720 -5.153 1.00 4.40 H new ATOM 0 HG12 VAL A 62 7.331 0.723 -5.824 1.00 4.40 H new ATOM 0 HG13 VAL A 62 5.640 0.382 -6.264 1.00 4.40 H new ATOM 0 HG21 VAL A 62 4.454 0.765 -3.468 1.00 3.34 H new ATOM 0 HG22 VAL A 62 4.075 -0.586 -4.562 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.652 -0.913 -2.911 1.00 3.34 H new ATOM 978 N GLU A 63 8.997 -1.376 -4.905 1.00 4.04 N ATOM 979 CA GLU A 63 10.289 -1.330 -5.650 1.00 4.68 C ATOM 980 C GLU A 63 10.571 -2.699 -6.279 1.00 4.70 C ATOM 981 O GLU A 63 10.943 -2.788 -7.433 1.00 5.23 O ATOM 982 CB GLU A 63 11.428 -0.964 -4.691 1.00 5.11 C ATOM 983 CG GLU A 63 11.698 0.542 -4.758 1.00 5.73 C ATOM 984 CD GLU A 63 12.481 0.980 -3.516 1.00 6.00 C ATOM 985 OE1 GLU A 63 11.910 0.959 -2.437 1.00 6.46 O ATOM 986 OE2 GLU A 63 13.641 1.330 -3.664 1.00 6.04 O ATOM 0 H GLU A 63 9.073 -1.198 -3.904 1.00 4.04 H new ATOM 0 HA GLU A 63 10.222 -0.577 -6.435 1.00 4.68 H new ATOM 0 HB2 GLU A 63 11.165 -1.251 -3.673 1.00 5.11 H new ATOM 0 HB3 GLU A 63 12.330 -1.517 -4.955 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.263 0.781 -5.659 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.757 1.088 -4.818 1.00 5.73 H new ATOM 993 N LYS A 64 10.389 -3.767 -5.536 1.00 4.35 N ATOM 994 CA LYS A 64 10.633 -5.126 -6.097 1.00 4.71 C ATOM 995 C LYS A 64 9.616 -5.410 -7.215 1.00 4.54 C ATOM 996 O LYS A 64 9.895 -6.140 -8.147 1.00 5.00 O ATOM 997 CB LYS A 64 10.483 -6.178 -4.990 1.00 4.74 C ATOM 998 CG LYS A 64 11.254 -7.446 -5.375 1.00 5.62 C ATOM 999 CD LYS A 64 10.274 -8.533 -5.829 1.00 6.24 C ATOM 1000 CE LYS A 64 9.918 -9.435 -4.644 1.00 7.07 C ATOM 1001 NZ LYS A 64 9.304 -10.700 -5.143 1.00 7.79 N ATOM 0 H LYS A 64 10.081 -3.751 -4.564 1.00 4.35 H new ATOM 0 HA LYS A 64 11.644 -5.172 -6.503 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.860 -5.784 -4.047 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.429 -6.413 -4.839 1.00 4.74 H new ATOM 0 HG2 LYS A 64 11.961 -7.224 -6.175 1.00 5.62 H new ATOM 0 HG3 LYS A 64 11.836 -7.801 -4.524 1.00 5.62 H new ATOM 0 HD2 LYS A 64 9.371 -8.076 -6.234 1.00 6.24 H new ATOM 0 HD3 LYS A 64 10.718 -9.126 -6.629 1.00 6.24 H new ATOM 0 HE2 LYS A 64 10.813 -9.658 -4.062 1.00 7.07 H new ATOM 0 HE3 LYS A 64 9.225 -8.921 -3.978 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 8.956 -11.258 -4.338 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 8.511 -10.474 -5.777 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 10.017 -11.250 -5.663 1.00 7.79 H new ATOM 1015 N PHE A 65 8.439 -4.832 -7.122 1.00 4.02 N ATOM 1016 CA PHE A 65 7.395 -5.049 -8.160 1.00 3.99 C ATOM 1017 C PHE A 65 7.745 -4.248 -9.424 1.00 4.72 C ATOM 1018 O PHE A 65 7.728 -4.776 -10.520 1.00 5.31 O ATOM 1019 CB PHE A 65 6.047 -4.571 -7.605 1.00 3.16 C ATOM 1020 CG PHE A 65 4.911 -5.287 -8.302 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.631 -5.013 -9.645 1.00 3.45 C ATOM 1022 CD2 PHE A 65 4.135 -6.219 -7.603 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.579 -5.670 -10.291 1.00 3.48 C ATOM 1024 CE2 PHE A 65 3.082 -6.875 -8.249 1.00 3.10 C ATOM 1025 CZ PHE A 65 2.804 -6.601 -9.593 1.00 3.19 C ATOM 0 H PHE A 65 8.161 -4.214 -6.360 1.00 4.02 H new ATOM 0 HA PHE A 65 7.340 -6.107 -8.416 1.00 3.99 H new ATOM 0 HB2 PHE A 65 6.000 -4.758 -6.532 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.949 -3.495 -7.746 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.228 -4.293 -10.184 1.00 3.45 H new ATOM 0 HD2 PHE A 65 4.349 -6.431 -6.566 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.365 -5.458 -11.328 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.483 -7.594 -7.710 1.00 3.10 H new ATOM 0 HZ PHE A 65 1.991 -7.109 -10.091 1.00 3.19 H new ATOM 1035 N LEU A 66 8.053 -2.978 -9.279 1.00 4.92 N ATOM 1036 CA LEU A 66 8.393 -2.139 -10.475 1.00 5.86 C ATOM 1037 C LEU A 66 9.797 -2.486 -10.999 1.00 6.61 C ATOM 1038 O LEU A 66 10.036 -2.467 -12.191 1.00 7.33 O ATOM 1039 CB LEU A 66 8.320 -0.644 -10.105 1.00 6.18 C ATOM 1040 CG LEU A 66 9.431 -0.266 -9.115 1.00 7.14 C ATOM 1041 CD1 LEU A 66 10.607 0.361 -9.871 1.00 7.61 C ATOM 1042 CD2 LEU A 66 8.885 0.747 -8.105 1.00 7.67 C ATOM 0 H LEU A 66 8.083 -2.488 -8.385 1.00 4.92 H new ATOM 0 HA LEU A 66 7.670 -2.348 -11.264 1.00 5.86 H new ATOM 0 HB2 LEU A 66 8.410 -0.038 -11.007 1.00 6.18 H new ATOM 0 HB3 LEU A 66 7.347 -0.421 -9.667 1.00 6.18 H new ATOM 0 HG LEU A 66 9.771 -1.162 -8.595 1.00 7.14 H new ATOM 0 HD11 LEU A 66 11.393 0.628 -9.165 1.00 7.61 H new ATOM 0 HD12 LEU A 66 10.997 -0.354 -10.595 1.00 7.61 H new ATOM 0 HD13 LEU A 66 10.269 1.256 -10.392 1.00 7.61 H new ATOM 0 HD21 LEU A 66 9.671 1.018 -7.400 1.00 7.67 H new ATOM 0 HD22 LEU A 66 8.546 1.639 -8.631 1.00 7.67 H new ATOM 0 HD23 LEU A 66 8.048 0.306 -7.563 1.00 7.67 H new ATOM 1054 N LYS A 67 10.725 -2.794 -10.123 1.00 6.57 N ATOM 1055 CA LYS A 67 12.109 -3.133 -10.575 1.00 7.47 C ATOM 1056 C LYS A 67 12.339 -4.641 -10.450 1.00 7.85 C ATOM 1057 O LYS A 67 12.245 -5.206 -9.375 1.00 8.14 O ATOM 1058 CB LYS A 67 13.128 -2.386 -9.705 1.00 7.84 C ATOM 1059 CG LYS A 67 14.167 -1.700 -10.598 1.00 8.78 C ATOM 1060 CD LYS A 67 15.324 -2.663 -10.874 1.00 9.42 C ATOM 1061 CE LYS A 67 16.396 -1.952 -11.705 1.00 10.12 C ATOM 1062 NZ LYS A 67 17.498 -2.905 -12.020 1.00 10.40 N ATOM 0 H LYS A 67 10.581 -2.825 -9.114 1.00 6.57 H new ATOM 0 HA LYS A 67 12.231 -2.836 -11.617 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.620 -1.645 -9.088 1.00 7.84 H new ATOM 0 HB3 LYS A 67 13.621 -3.082 -9.027 1.00 7.84 H new ATOM 0 HG2 LYS A 67 13.707 -1.390 -11.536 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.539 -0.798 -10.113 1.00 8.78 H new ATOM 0 HD2 LYS A 67 15.751 -3.014 -9.934 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.960 -3.542 -11.406 1.00 9.42 H new ATOM 0 HE2 LYS A 67 15.960 -1.567 -12.627 1.00 10.12 H new ATOM 0 HE3 LYS A 67 16.788 -1.096 -11.156 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 18.225 -2.421 -12.584 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 17.920 -3.252 -11.135 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 17.118 -3.708 -12.561 1.00 10.40 H new ATOM 1076 N ARG A 68 12.647 -5.294 -11.545 1.00 8.12 N ATOM 1077 CA ARG A 68 12.895 -6.770 -11.507 1.00 8.78 C ATOM 1078 C ARG A 68 13.677 -7.201 -12.752 1.00 8.99 C ATOM 1079 O ARG A 68 13.960 -6.405 -13.630 1.00 8.81 O ATOM 1080 CB ARG A 68 11.559 -7.529 -11.457 1.00 9.33 C ATOM 1081 CG ARG A 68 10.628 -7.044 -12.577 1.00 9.61 C ATOM 1082 CD ARG A 68 10.571 -8.094 -13.692 1.00 10.05 C ATOM 1083 NE ARG A 68 11.146 -7.525 -14.944 1.00 10.53 N ATOM 1084 CZ ARG A 68 10.427 -7.478 -16.034 1.00 10.90 C ATOM 1085 NH1 ARG A 68 9.501 -6.563 -16.168 1.00 11.35 N ATOM 1086 NH2 ARG A 68 10.635 -8.345 -16.991 1.00 11.02 N ATOM 0 H ARG A 68 12.738 -4.866 -12.467 1.00 8.12 H new ATOM 0 HA ARG A 68 13.476 -7.004 -10.615 1.00 8.78 H new ATOM 0 HB2 ARG A 68 11.737 -8.599 -11.561 1.00 9.33 H new ATOM 0 HB3 ARG A 68 11.083 -7.378 -10.488 1.00 9.33 H new ATOM 0 HG2 ARG A 68 9.628 -6.866 -12.181 1.00 9.61 H new ATOM 0 HG3 ARG A 68 10.987 -6.095 -12.976 1.00 9.61 H new ATOM 0 HD2 ARG A 68 11.127 -8.984 -13.396 1.00 10.05 H new ATOM 0 HD3 ARG A 68 9.540 -8.404 -13.861 1.00 10.05 H new ATOM 0 HE ARG A 68 12.103 -7.172 -14.950 1.00 10.53 H new ATOM 0 HH11 ARG A 68 9.341 -5.887 -15.422 1.00 11.35 H new ATOM 0 HH12 ARG A 68 8.940 -6.526 -17.019 1.00 11.35 H new ATOM 0 HH21 ARG A 68 11.358 -9.057 -16.886 1.00 11.02 H new ATOM 0 HH22 ARG A 68 10.074 -8.309 -17.842 1.00 11.02 H new ATOM 1100 N ALA A 69 14.026 -8.462 -12.830 1.00 9.61 N ATOM 1101 CA ALA A 69 14.790 -8.968 -14.011 1.00 10.14 C ATOM 1102 C ALA A 69 14.775 -10.503 -14.009 1.00 10.89 C ATOM 1103 O ALA A 69 15.743 -11.145 -13.638 1.00 11.20 O ATOM 1104 CB ALA A 69 16.235 -8.461 -13.941 1.00 10.08 C ATOM 0 H ALA A 69 13.813 -9.165 -12.123 1.00 9.61 H new ATOM 0 HA ALA A 69 14.327 -8.605 -14.929 1.00 10.14 H new ATOM 0 HB1 ALA A 69 16.792 -8.830 -14.802 1.00 10.08 H new ATOM 0 HB2 ALA A 69 16.239 -7.371 -13.946 1.00 10.08 H new ATOM 0 HB3 ALA A 69 16.703 -8.821 -13.025 1.00 10.08 H new ATOM 1110 N GLU A 70 13.679 -11.096 -14.421 1.00 11.37 N ATOM 1111 CA GLU A 70 13.592 -12.588 -14.444 1.00 12.24 C ATOM 1112 C GLU A 70 12.809 -13.037 -15.687 1.00 12.45 C ATOM 1113 O GLU A 70 13.390 -13.456 -16.669 1.00 12.32 O ATOM 1114 CB GLU A 70 12.890 -13.081 -13.171 1.00 12.79 C ATOM 1115 CG GLU A 70 13.937 -13.529 -12.146 1.00 12.48 C ATOM 1116 CD GLU A 70 14.342 -14.980 -12.425 1.00 13.18 C ATOM 1117 OE1 GLU A 70 15.258 -15.181 -13.205 1.00 13.39 O ATOM 1118 OE2 GLU A 70 13.728 -15.866 -11.853 1.00 13.63 O ATOM 0 H GLU A 70 12.842 -10.609 -14.742 1.00 11.37 H new ATOM 0 HA GLU A 70 14.595 -13.013 -14.483 1.00 12.24 H new ATOM 0 HB2 GLU A 70 12.274 -12.285 -12.752 1.00 12.79 H new ATOM 0 HB3 GLU A 70 12.222 -13.909 -13.409 1.00 12.79 H new ATOM 0 HG2 GLU A 70 14.812 -12.880 -12.197 1.00 12.48 H new ATOM 0 HG3 GLU A 70 13.534 -13.441 -11.137 1.00 12.48 H new ATOM 1125 N ASN A 71 11.496 -12.949 -15.653 1.00 12.96 N ATOM 1126 CA ASN A 71 10.680 -13.371 -16.836 1.00 13.39 C ATOM 1127 C ASN A 71 9.389 -12.538 -16.901 1.00 13.77 C ATOM 1128 O ASN A 71 8.330 -13.042 -17.233 1.00 13.98 O ATOM 1129 CB ASN A 71 10.334 -14.861 -16.708 1.00 13.14 C ATOM 1130 CG ASN A 71 11.457 -15.703 -17.321 1.00 12.70 C ATOM 1131 OD1 ASN A 71 12.276 -16.250 -16.610 1.00 12.77 O ATOM 1132 ND2 ASN A 71 11.532 -15.830 -18.619 1.00 12.41 N ATOM 0 H ASN A 71 10.958 -12.604 -14.858 1.00 12.96 H new ATOM 0 HA ASN A 71 11.252 -13.209 -17.750 1.00 13.39 H new ATOM 0 HB2 ASN A 71 10.199 -15.125 -15.659 1.00 13.14 H new ATOM 0 HB3 ASN A 71 9.391 -15.071 -17.213 1.00 13.14 H new ATOM 0 HD21 ASN A 71 12.278 -16.388 -19.035 1.00 12.41 H new ATOM 0 HD22 ASN A 71 10.845 -15.371 -19.217 1.00 12.41 H new ATOM 1139 N SER A 72 9.474 -11.262 -16.589 1.00 14.02 N ATOM 1140 CA SER A 72 8.265 -10.376 -16.629 1.00 14.59 C ATOM 1141 C SER A 72 7.192 -10.902 -15.650 1.00 15.09 C ATOM 1142 O SER A 72 7.565 -11.313 -14.561 1.00 15.38 O ATOM 1143 CB SER A 72 7.717 -10.330 -18.065 1.00 14.66 C ATOM 1144 OG SER A 72 7.233 -9.022 -18.342 1.00 14.60 O ATOM 1145 OXT SER A 72 6.019 -10.877 -15.995 1.00 15.30 O ATOM 0 H SER A 72 10.336 -10.795 -16.307 1.00 14.02 H new ATOM 0 HA SER A 72 8.539 -9.366 -16.323 1.00 14.59 H new ATOM 0 HB2 SER A 72 8.500 -10.598 -18.774 1.00 14.66 H new ATOM 0 HB3 SER A 72 6.916 -11.059 -18.184 1.00 14.66 H new ATOM 0 HG SER A 72 6.884 -8.989 -19.257 1.00 14.60 H new TER 1151 SER A 72