USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 143:sc= 0.281 (180deg=-0.23) USER MOD Set 1.2: A 30 ASN : amide:sc= -3.4! C(o=-3.1!,f=-7!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= -0.426 (180deg=-0.451) USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -0.284 (180deg=-0.883) USER MOD Single : A 15 HIS : no HE2:sc= -11.6! C(o=-12!,f=-5.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.44! C(o=-3.4!,f=-8!) USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= -0.349 (180deg=-1.87!) USER MOD Single : A 24 HIS : no HD1:sc= -13.1! C(o=-13!,f=-20!) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.423 (180deg=-1.15) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 32 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.0057) USER MOD Single : A 36 GLN : amide:sc= -0.175 K(o=-0.17,f=-1.1) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -2.19 USER MOD Single : A 46 THR OG1 : rot -53:sc= 1.13 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 57 GLN : amide:sc= -8.54! C(o=-8.5!,f=-11!) USER MOD Single : A 62 CYS SG : rot 110:sc= -6.23! USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -0.42 (180deg=-1.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0722 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.6!) USER MOD Single : A 85 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.095) USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= -0.118 (180deg=-0.713) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.511 -14.536 9.166 1.00 7.08 N ATOM 2 CA ALA A 1 -16.698 -15.295 8.176 1.00 7.07 C ATOM 3 C ALA A 1 -17.592 -15.746 7.020 1.00 6.72 C ATOM 4 O ALA A 1 -18.353 -16.685 7.141 1.00 6.92 O ATOM 5 CB ALA A 1 -16.082 -16.521 8.853 1.00 7.47 C ATOM 0 H1 ALA A 1 -16.903 -14.229 9.952 1.00 7.08 H new ATOM 0 H2 ALA A 1 -17.929 -13.702 8.706 1.00 7.08 H new ATOM 0 H3 ALA A 1 -18.270 -15.146 9.533 1.00 7.08 H new ATOM 0 HA ALA A 1 -15.904 -14.655 7.792 1.00 7.07 H new ATOM 0 HB1 ALA A 1 -15.487 -17.076 8.128 1.00 7.47 H new ATOM 0 HB2 ALA A 1 -15.444 -16.200 9.676 1.00 7.47 H new ATOM 0 HB3 ALA A 1 -16.876 -17.161 9.238 1.00 7.47 H new ATOM 11 N GLY A 2 -17.507 -15.084 5.898 1.00 6.27 N ATOM 12 CA GLY A 2 -18.353 -15.475 4.734 1.00 6.01 C ATOM 13 C GLY A 2 -18.093 -14.519 3.569 1.00 5.58 C ATOM 14 O GLY A 2 -19.010 -13.997 2.967 1.00 5.39 O ATOM 0 H GLY A 2 -16.888 -14.289 5.737 1.00 6.27 H new ATOM 0 HA2 GLY A 2 -18.128 -16.499 4.435 1.00 6.01 H new ATOM 0 HA3 GLY A 2 -19.407 -15.448 5.012 1.00 6.01 H new ATOM 18 N TYR A 3 -16.850 -14.286 3.247 1.00 5.50 N ATOM 19 CA TYR A 3 -16.533 -13.362 2.120 1.00 5.17 C ATOM 20 C TYR A 3 -16.490 -14.151 0.811 1.00 5.15 C ATOM 21 O TYR A 3 -15.829 -15.165 0.706 1.00 5.32 O ATOM 22 CB TYR A 3 -15.171 -12.709 2.363 1.00 5.20 C ATOM 23 CG TYR A 3 -15.335 -11.534 3.296 1.00 4.61 C ATOM 24 CD1 TYR A 3 -15.780 -10.303 2.800 1.00 4.23 C ATOM 25 CD2 TYR A 3 -15.044 -11.676 4.658 1.00 4.73 C ATOM 26 CE1 TYR A 3 -15.933 -9.213 3.665 1.00 4.18 C ATOM 27 CE2 TYR A 3 -15.197 -10.588 5.524 1.00 4.50 C ATOM 28 CZ TYR A 3 -15.641 -9.355 5.028 1.00 4.32 C ATOM 29 OH TYR A 3 -15.793 -8.282 5.881 1.00 4.62 O ATOM 0 H TYR A 3 -16.041 -14.695 3.715 1.00 5.50 H new ATOM 0 HA TYR A 3 -17.301 -12.591 2.057 1.00 5.17 H new ATOM 0 HB2 TYR A 3 -14.480 -13.434 2.792 1.00 5.20 H new ATOM 0 HB3 TYR A 3 -14.740 -12.379 1.418 1.00 5.20 H new ATOM 0 HD1 TYR A 3 -16.005 -10.194 1.749 1.00 4.23 H new ATOM 0 HD2 TYR A 3 -14.701 -12.626 5.040 1.00 4.73 H new ATOM 0 HE1 TYR A 3 -16.276 -8.263 3.282 1.00 4.18 H new ATOM 0 HE2 TYR A 3 -14.973 -10.698 6.575 1.00 4.50 H new ATOM 0 HH TYR A 3 -15.549 -8.551 6.791 1.00 4.62 H new ATOM 39 N THR A 4 -17.187 -13.691 -0.189 1.00 5.03 N ATOM 40 CA THR A 4 -17.186 -14.412 -1.491 1.00 5.08 C ATOM 41 C THR A 4 -16.497 -13.546 -2.549 1.00 4.85 C ATOM 42 O THR A 4 -16.457 -12.336 -2.444 1.00 4.55 O ATOM 43 CB THR A 4 -18.627 -14.693 -1.922 1.00 5.13 C ATOM 44 OG1 THR A 4 -19.185 -13.519 -2.494 1.00 4.88 O ATOM 45 CG2 THR A 4 -19.454 -15.111 -0.704 1.00 5.34 C ATOM 0 H THR A 4 -17.758 -12.846 -0.161 1.00 5.03 H new ATOM 0 HA THR A 4 -16.650 -15.355 -1.384 1.00 5.08 H new ATOM 0 HB THR A 4 -18.636 -15.497 -2.658 1.00 5.13 H new ATOM 0 HG1 THR A 4 -20.108 -13.697 -2.772 1.00 4.88 H new ATOM 0 HG21 THR A 4 -20.480 -15.311 -1.012 1.00 5.34 H new ATOM 0 HG22 THR A 4 -19.025 -16.012 -0.265 1.00 5.34 H new ATOM 0 HG23 THR A 4 -19.446 -14.309 0.034 1.00 5.34 H new ATOM 53 N GLU A 5 -15.953 -14.156 -3.565 1.00 5.02 N ATOM 54 CA GLU A 5 -15.267 -13.368 -4.627 1.00 4.86 C ATOM 55 C GLU A 5 -16.170 -12.214 -5.072 1.00 4.63 C ATOM 56 O GLU A 5 -15.714 -11.116 -5.320 1.00 4.37 O ATOM 57 CB GLU A 5 -14.972 -14.276 -5.825 1.00 5.19 C ATOM 58 CG GLU A 5 -13.458 -14.414 -6.003 1.00 5.60 C ATOM 59 CD GLU A 5 -13.157 -14.996 -7.384 1.00 5.46 C ATOM 60 OE1 GLU A 5 -13.300 -14.269 -8.355 1.00 5.38 O ATOM 61 OE2 GLU A 5 -12.790 -16.157 -7.450 1.00 5.83 O ATOM 0 H GLU A 5 -15.954 -15.166 -3.706 1.00 5.02 H new ATOM 0 HA GLU A 5 -14.332 -12.967 -4.235 1.00 4.86 H new ATOM 0 HB2 GLU A 5 -15.421 -15.257 -5.670 1.00 5.19 H new ATOM 0 HB3 GLU A 5 -15.418 -13.860 -6.728 1.00 5.19 H new ATOM 0 HG2 GLU A 5 -12.978 -13.441 -5.894 1.00 5.60 H new ATOM 0 HG3 GLU A 5 -13.047 -15.060 -5.227 1.00 5.60 H new ATOM 68 N ILE A 6 -17.447 -12.458 -5.180 1.00 4.77 N ATOM 69 CA ILE A 6 -18.379 -11.380 -5.616 1.00 4.62 C ATOM 70 C ILE A 6 -18.307 -10.201 -4.640 1.00 4.27 C ATOM 71 O ILE A 6 -17.994 -9.091 -5.020 1.00 3.98 O ATOM 72 CB ILE A 6 -19.807 -11.926 -5.653 1.00 4.92 C ATOM 73 CG1 ILE A 6 -19.879 -13.089 -6.644 1.00 5.55 C ATOM 74 CG2 ILE A 6 -20.764 -10.819 -6.096 1.00 4.62 C ATOM 75 CD1 ILE A 6 -21.091 -13.963 -6.320 1.00 6.08 C ATOM 0 H ILE A 6 -17.886 -13.358 -4.985 1.00 4.77 H new ATOM 0 HA ILE A 6 -18.092 -11.038 -6.610 1.00 4.62 H new ATOM 0 HB ILE A 6 -20.090 -12.275 -4.660 1.00 4.92 H new ATOM 0 HG12 ILE A 6 -19.954 -12.708 -7.663 1.00 5.55 H new ATOM 0 HG13 ILE A 6 -18.966 -13.682 -6.592 1.00 5.55 H new ATOM 0 HG21 ILE A 6 -21.782 -11.207 -6.123 1.00 4.62 H new ATOM 0 HG22 ILE A 6 -20.711 -9.989 -5.392 1.00 4.62 H new ATOM 0 HG23 ILE A 6 -20.482 -10.471 -7.090 1.00 4.62 H new ATOM 0 HD11 ILE A 6 -21.142 -14.791 -7.027 1.00 6.08 H new ATOM 0 HD12 ILE A 6 -20.997 -14.355 -5.307 1.00 6.08 H new ATOM 0 HD13 ILE A 6 -22.000 -13.366 -6.395 1.00 6.08 H new ATOM 87 N GLU A 7 -18.597 -10.428 -3.386 1.00 4.32 N ATOM 88 CA GLU A 7 -18.544 -9.312 -2.399 1.00 4.05 C ATOM 89 C GLU A 7 -17.244 -8.525 -2.585 1.00 3.71 C ATOM 90 O GLU A 7 -17.255 -7.340 -2.856 1.00 3.47 O ATOM 91 CB GLU A 7 -18.597 -9.883 -0.980 1.00 4.21 C ATOM 92 CG GLU A 7 -20.041 -10.240 -0.625 1.00 4.68 C ATOM 93 CD GLU A 7 -20.104 -10.736 0.821 1.00 4.66 C ATOM 94 OE1 GLU A 7 -19.338 -10.240 1.631 1.00 5.03 O ATOM 95 OE2 GLU A 7 -20.916 -11.605 1.093 1.00 4.69 O ATOM 0 H GLU A 7 -18.867 -11.335 -3.004 1.00 4.32 H new ATOM 0 HA GLU A 7 -19.394 -8.649 -2.556 1.00 4.05 H new ATOM 0 HB2 GLU A 7 -17.965 -10.768 -0.909 1.00 4.21 H new ATOM 0 HB3 GLU A 7 -18.206 -9.155 -0.269 1.00 4.21 H new ATOM 0 HG2 GLU A 7 -20.683 -9.368 -0.750 1.00 4.68 H new ATOM 0 HG3 GLU A 7 -20.413 -11.010 -1.301 1.00 4.68 H new ATOM 102 N LYS A 8 -16.123 -9.179 -2.441 1.00 3.73 N ATOM 103 CA LYS A 8 -14.821 -8.475 -2.609 1.00 3.45 C ATOM 104 C LYS A 8 -14.824 -7.706 -3.930 1.00 3.32 C ATOM 105 O LYS A 8 -14.325 -6.604 -4.018 1.00 3.02 O ATOM 106 CB LYS A 8 -13.686 -9.502 -2.619 1.00 3.66 C ATOM 107 CG LYS A 8 -13.589 -10.170 -1.247 1.00 3.93 C ATOM 108 CD LYS A 8 -13.507 -11.688 -1.423 1.00 4.18 C ATOM 109 CE LYS A 8 -12.134 -12.065 -1.982 1.00 4.38 C ATOM 110 NZ LYS A 8 -11.083 -11.749 -0.975 1.00 4.80 N ATOM 0 H LYS A 8 -16.053 -10.171 -2.214 1.00 3.73 H new ATOM 0 HA LYS A 8 -14.675 -7.778 -1.784 1.00 3.45 H new ATOM 0 HB2 LYS A 8 -13.867 -10.252 -3.388 1.00 3.66 H new ATOM 0 HB3 LYS A 8 -12.743 -9.015 -2.865 1.00 3.66 H new ATOM 0 HG2 LYS A 8 -12.710 -9.807 -0.715 1.00 3.93 H new ATOM 0 HG3 LYS A 8 -14.457 -9.910 -0.642 1.00 3.93 H new ATOM 0 HD2 LYS A 8 -13.671 -12.185 -0.467 1.00 4.18 H new ATOM 0 HD3 LYS A 8 -14.292 -12.029 -2.098 1.00 4.18 H new ATOM 0 HE2 LYS A 8 -12.109 -13.127 -2.228 1.00 4.38 H new ATOM 0 HE3 LYS A 8 -11.943 -11.519 -2.906 1.00 4.38 H new ATOM 0 HZ1 LYS A 8 -10.151 -12.021 -1.349 1.00 4.80 H new ATOM 0 HZ2 LYS A 8 -11.091 -10.729 -0.774 1.00 4.80 H new ATOM 0 HZ3 LYS A 8 -11.272 -12.276 -0.099 1.00 4.80 H new ATOM 124 N LEU A 9 -15.377 -8.282 -4.962 1.00 3.58 N ATOM 125 CA LEU A 9 -15.407 -7.582 -6.276 1.00 3.53 C ATOM 126 C LEU A 9 -16.258 -6.315 -6.164 1.00 3.34 C ATOM 127 O LEU A 9 -15.887 -5.261 -6.640 1.00 3.14 O ATOM 128 CB LEU A 9 -16.012 -8.510 -7.330 1.00 3.93 C ATOM 129 CG LEU A 9 -15.932 -7.843 -8.704 1.00 4.02 C ATOM 130 CD1 LEU A 9 -14.592 -8.183 -9.358 1.00 4.16 C ATOM 131 CD2 LEU A 9 -17.074 -8.353 -9.586 1.00 4.41 C ATOM 0 H LEU A 9 -15.809 -9.206 -4.952 1.00 3.58 H new ATOM 0 HA LEU A 9 -14.392 -7.311 -6.566 1.00 3.53 H new ATOM 0 HB2 LEU A 9 -15.477 -9.460 -7.343 1.00 3.93 H new ATOM 0 HB3 LEU A 9 -17.050 -8.732 -7.082 1.00 3.93 H new ATOM 0 HG LEU A 9 -16.017 -6.762 -8.589 1.00 4.02 H new ATOM 0 HD11 LEU A 9 -14.534 -7.708 -10.337 1.00 4.16 H new ATOM 0 HD12 LEU A 9 -13.778 -7.820 -8.730 1.00 4.16 H new ATOM 0 HD13 LEU A 9 -14.507 -9.264 -9.473 1.00 4.16 H new ATOM 0 HD21 LEU A 9 -17.017 -7.878 -10.565 1.00 4.41 H new ATOM 0 HD22 LEU A 9 -16.990 -9.434 -9.702 1.00 4.41 H new ATOM 0 HD23 LEU A 9 -18.029 -8.111 -9.120 1.00 4.41 H new ATOM 143 N GLU A 10 -17.401 -6.410 -5.541 1.00 3.46 N ATOM 144 CA GLU A 10 -18.281 -5.216 -5.400 1.00 3.41 C ATOM 145 C GLU A 10 -17.516 -4.089 -4.700 1.00 3.11 C ATOM 146 O GLU A 10 -17.367 -3.005 -5.228 1.00 3.02 O ATOM 147 CB GLU A 10 -19.510 -5.587 -4.567 1.00 3.66 C ATOM 148 CG GLU A 10 -20.764 -4.982 -5.202 1.00 3.53 C ATOM 149 CD GLU A 10 -22.007 -5.535 -4.502 1.00 3.33 C ATOM 150 OE1 GLU A 10 -22.419 -6.631 -4.846 1.00 3.51 O ATOM 151 OE2 GLU A 10 -22.525 -4.853 -3.632 1.00 3.57 O ATOM 0 H GLU A 10 -17.764 -7.266 -5.122 1.00 3.46 H new ATOM 0 HA GLU A 10 -18.594 -4.880 -6.389 1.00 3.41 H new ATOM 0 HB2 GLU A 10 -19.607 -6.671 -4.507 1.00 3.66 H new ATOM 0 HB3 GLU A 10 -19.394 -5.221 -3.547 1.00 3.66 H new ATOM 0 HG2 GLU A 10 -20.739 -3.896 -5.118 1.00 3.53 H new ATOM 0 HG3 GLU A 10 -20.797 -5.219 -6.265 1.00 3.53 H new ATOM 158 N ILE A 11 -17.038 -4.334 -3.510 1.00 3.00 N ATOM 159 CA ILE A 11 -16.289 -3.273 -2.771 1.00 2.79 C ATOM 160 C ILE A 11 -14.992 -2.940 -3.510 1.00 2.51 C ATOM 161 O ILE A 11 -14.794 -1.835 -3.968 1.00 2.38 O ATOM 162 CB ILE A 11 -15.953 -3.767 -1.361 1.00 2.86 C ATOM 163 CG1 ILE A 11 -15.839 -5.294 -1.363 1.00 3.04 C ATOM 164 CG2 ILE A 11 -17.057 -3.341 -0.392 1.00 3.22 C ATOM 165 CD1 ILE A 11 -14.795 -5.732 -0.334 1.00 3.13 C ATOM 0 H ILE A 11 -17.133 -5.222 -3.017 1.00 3.00 H new ATOM 0 HA ILE A 11 -16.910 -2.379 -2.709 1.00 2.79 H new ATOM 0 HB ILE A 11 -15.004 -3.333 -1.045 1.00 2.86 H new ATOM 0 HG12 ILE A 11 -16.805 -5.741 -1.129 1.00 3.04 H new ATOM 0 HG13 ILE A 11 -15.557 -5.646 -2.355 1.00 3.04 H new ATOM 0 HG21 ILE A 11 -16.817 -3.693 0.611 1.00 3.22 H new ATOM 0 HG22 ILE A 11 -17.136 -2.254 -0.386 1.00 3.22 H new ATOM 0 HG23 ILE A 11 -18.006 -3.772 -0.710 1.00 3.22 H new ATOM 0 HD11 ILE A 11 -14.715 -6.819 -0.337 1.00 3.13 H new ATOM 0 HD12 ILE A 11 -13.829 -5.297 -0.588 1.00 3.13 H new ATOM 0 HD13 ILE A 11 -15.096 -5.393 0.657 1.00 3.13 H new ATOM 177 N VAL A 12 -14.108 -3.888 -3.618 1.00 2.49 N ATOM 178 CA VAL A 12 -12.812 -3.640 -4.312 1.00 2.30 C ATOM 179 C VAL A 12 -13.023 -2.751 -5.538 1.00 2.21 C ATOM 180 O VAL A 12 -12.197 -1.917 -5.850 1.00 2.02 O ATOM 181 CB VAL A 12 -12.210 -4.975 -4.754 1.00 2.51 C ATOM 182 CG1 VAL A 12 -10.940 -4.719 -5.567 1.00 2.42 C ATOM 183 CG2 VAL A 12 -11.864 -5.810 -3.521 1.00 2.69 C ATOM 0 H VAL A 12 -14.226 -4.833 -3.253 1.00 2.49 H new ATOM 0 HA VAL A 12 -12.135 -3.135 -3.623 1.00 2.30 H new ATOM 0 HB VAL A 12 -12.932 -5.513 -5.368 1.00 2.51 H new ATOM 0 HG11 VAL A 12 -10.511 -5.671 -5.882 1.00 2.42 H new ATOM 0 HG12 VAL A 12 -11.185 -4.123 -6.446 1.00 2.42 H new ATOM 0 HG13 VAL A 12 -10.217 -4.181 -4.953 1.00 2.42 H new ATOM 0 HG21 VAL A 12 -11.435 -6.762 -3.835 1.00 2.69 H new ATOM 0 HG22 VAL A 12 -11.142 -5.271 -2.908 1.00 2.69 H new ATOM 0 HG23 VAL A 12 -12.768 -5.993 -2.940 1.00 2.69 H new ATOM 193 N LYS A 13 -14.094 -2.929 -6.250 1.00 2.40 N ATOM 194 CA LYS A 13 -14.310 -2.094 -7.464 1.00 2.42 C ATOM 195 C LYS A 13 -14.867 -0.712 -7.096 1.00 2.36 C ATOM 196 O LYS A 13 -14.514 0.283 -7.696 1.00 2.25 O ATOM 197 CB LYS A 13 -15.288 -2.802 -8.406 1.00 2.75 C ATOM 198 CG LYS A 13 -14.543 -3.860 -9.224 1.00 2.93 C ATOM 199 CD LYS A 13 -15.349 -4.195 -10.480 1.00 3.47 C ATOM 200 CE LYS A 13 -14.465 -4.961 -11.464 1.00 3.54 C ATOM 201 NZ LYS A 13 -15.274 -6.014 -12.143 1.00 4.19 N ATOM 0 H LYS A 13 -14.826 -3.610 -6.049 1.00 2.40 H new ATOM 0 HA LYS A 13 -13.348 -1.956 -7.958 1.00 2.42 H new ATOM 0 HB2 LYS A 13 -16.088 -3.269 -7.831 1.00 2.75 H new ATOM 0 HB3 LYS A 13 -15.756 -2.077 -9.072 1.00 2.75 H new ATOM 0 HG2 LYS A 13 -13.555 -3.492 -9.501 1.00 2.93 H new ATOM 0 HG3 LYS A 13 -14.392 -4.758 -8.625 1.00 2.93 H new ATOM 0 HD2 LYS A 13 -16.221 -4.793 -10.216 1.00 3.47 H new ATOM 0 HD3 LYS A 13 -15.718 -3.280 -10.943 1.00 3.47 H new ATOM 0 HE2 LYS A 13 -14.046 -4.277 -12.202 1.00 3.54 H new ATOM 0 HE3 LYS A 13 -13.625 -5.415 -10.938 1.00 3.54 H new ATOM 0 HZ1 LYS A 13 -14.685 -6.857 -12.299 1.00 4.19 H new ATOM 0 HZ2 LYS A 13 -16.088 -6.265 -11.546 1.00 4.19 H new ATOM 0 HZ3 LYS A 13 -15.614 -5.655 -13.058 1.00 4.19 H new ATOM 215 N ASP A 14 -15.755 -0.637 -6.144 1.00 2.53 N ATOM 216 CA ASP A 14 -16.344 0.687 -5.781 1.00 2.65 C ATOM 217 C ASP A 14 -15.408 1.480 -4.858 1.00 2.51 C ATOM 218 O ASP A 14 -15.065 2.610 -5.137 1.00 2.59 O ATOM 219 CB ASP A 14 -17.680 0.464 -5.069 1.00 2.96 C ATOM 220 CG ASP A 14 -18.681 -0.161 -6.042 1.00 2.58 C ATOM 221 OD1 ASP A 14 -18.429 -1.267 -6.492 1.00 2.91 O ATOM 222 OD2 ASP A 14 -19.682 0.478 -6.322 1.00 2.65 O ATOM 0 H ASP A 14 -16.099 -1.430 -5.602 1.00 2.53 H new ATOM 0 HA ASP A 14 -16.490 1.260 -6.697 1.00 2.65 H new ATOM 0 HB2 ASP A 14 -17.540 -0.188 -4.207 1.00 2.96 H new ATOM 0 HB3 ASP A 14 -18.066 1.411 -4.693 1.00 2.96 H new ATOM 227 N HIS A 15 -15.032 0.909 -3.747 1.00 2.42 N ATOM 228 CA HIS A 15 -14.156 1.629 -2.768 1.00 2.42 C ATOM 229 C HIS A 15 -12.882 2.179 -3.427 1.00 2.16 C ATOM 230 O HIS A 15 -12.422 3.251 -3.089 1.00 2.25 O ATOM 231 CB HIS A 15 -13.768 0.668 -1.641 1.00 2.49 C ATOM 232 CG HIS A 15 -12.511 -0.065 -2.018 1.00 2.21 C ATOM 233 ND1 HIS A 15 -11.408 -0.124 -1.178 1.00 2.26 N ATOM 234 CD2 HIS A 15 -12.167 -0.770 -3.142 1.00 2.00 C ATOM 235 CE1 HIS A 15 -10.458 -0.841 -1.806 1.00 2.08 C ATOM 236 NE2 HIS A 15 -10.871 -1.257 -3.005 1.00 1.93 N ATOM 0 H HIS A 15 -15.295 -0.036 -3.469 1.00 2.42 H new ATOM 0 HA HIS A 15 -14.719 2.477 -2.377 1.00 2.42 H new ATOM 0 HB2 HIS A 15 -13.615 1.221 -0.714 1.00 2.49 H new ATOM 0 HB3 HIS A 15 -14.575 -0.042 -1.460 1.00 2.49 H new ATOM 0 HD1 HIS A 15 -11.331 0.299 -0.253 1.00 2.26 H new ATOM 0 HD2 HIS A 15 -12.803 -0.924 -4.001 1.00 2.00 H new ATOM 0 HE1 HIS A 15 -9.483 -1.053 -1.392 1.00 2.08 H new ATOM 245 N LEU A 16 -12.281 1.459 -4.329 1.00 1.91 N ATOM 246 CA LEU A 16 -11.022 1.967 -4.948 1.00 1.68 C ATOM 247 C LEU A 16 -11.127 3.464 -5.281 1.00 1.79 C ATOM 248 O LEU A 16 -10.160 4.192 -5.165 1.00 1.76 O ATOM 249 CB LEU A 16 -10.683 1.177 -6.220 1.00 1.56 C ATOM 250 CG LEU A 16 -11.930 0.961 -7.079 1.00 2.36 C ATOM 251 CD1 LEU A 16 -12.332 2.273 -7.757 1.00 2.90 C ATOM 252 CD2 LEU A 16 -11.617 -0.080 -8.157 1.00 3.00 C ATOM 0 H LEU A 16 -12.600 0.550 -4.664 1.00 1.91 H new ATOM 0 HA LEU A 16 -10.223 1.830 -4.219 1.00 1.68 H new ATOM 0 HB2 LEU A 16 -9.929 1.714 -6.796 1.00 1.56 H new ATOM 0 HB3 LEU A 16 -10.252 0.213 -5.950 1.00 1.56 H new ATOM 0 HG LEU A 16 -12.748 0.617 -6.446 1.00 2.36 H new ATOM 0 HD11 LEU A 16 -13.221 2.110 -8.367 1.00 2.90 H new ATOM 0 HD12 LEU A 16 -12.546 3.025 -6.997 1.00 2.90 H new ATOM 0 HD13 LEU A 16 -11.516 2.620 -8.391 1.00 2.90 H new ATOM 0 HD21 LEU A 16 -12.500 -0.241 -8.775 1.00 3.00 H new ATOM 0 HD22 LEU A 16 -10.798 0.277 -8.781 1.00 3.00 H new ATOM 0 HD23 LEU A 16 -11.329 -1.019 -7.684 1.00 3.00 H new ATOM 264 N LEU A 17 -12.264 3.936 -5.724 1.00 2.02 N ATOM 265 CA LEU A 17 -12.364 5.384 -6.091 1.00 2.26 C ATOM 266 C LEU A 17 -12.566 6.275 -4.851 1.00 2.49 C ATOM 267 O LEU A 17 -11.780 7.171 -4.615 1.00 2.52 O ATOM 268 CB LEU A 17 -13.509 5.602 -7.089 1.00 2.53 C ATOM 269 CG LEU A 17 -12.941 6.078 -8.428 1.00 2.56 C ATOM 270 CD1 LEU A 17 -14.050 6.080 -9.482 1.00 2.77 C ATOM 271 CD2 LEU A 17 -12.384 7.495 -8.271 1.00 2.94 C ATOM 0 H LEU A 17 -13.118 3.392 -5.847 1.00 2.02 H new ATOM 0 HA LEU A 17 -11.421 5.671 -6.556 1.00 2.26 H new ATOM 0 HB2 LEU A 17 -14.065 4.675 -7.228 1.00 2.53 H new ATOM 0 HB3 LEU A 17 -14.210 6.339 -6.698 1.00 2.53 H new ATOM 0 HG LEU A 17 -12.143 5.406 -8.743 1.00 2.56 H new ATOM 0 HD11 LEU A 17 -13.645 6.419 -10.436 1.00 2.77 H new ATOM 0 HD12 LEU A 17 -14.447 5.071 -9.594 1.00 2.77 H new ATOM 0 HD13 LEU A 17 -14.849 6.751 -9.168 1.00 2.77 H new ATOM 0 HD21 LEU A 17 -11.979 7.835 -9.224 1.00 2.94 H new ATOM 0 HD22 LEU A 17 -13.182 8.167 -7.956 1.00 2.94 H new ATOM 0 HD23 LEU A 17 -11.593 7.494 -7.521 1.00 2.94 H new ATOM 283 N PRO A 18 -13.602 6.067 -4.070 1.00 2.72 N ATOM 284 CA PRO A 18 -13.867 6.911 -2.865 1.00 3.03 C ATOM 285 C PRO A 18 -12.848 6.675 -1.746 1.00 2.93 C ATOM 286 O PRO A 18 -12.284 7.605 -1.203 1.00 3.12 O ATOM 287 CB PRO A 18 -15.269 6.489 -2.398 1.00 3.25 C ATOM 288 CG PRO A 18 -15.824 5.612 -3.474 1.00 3.01 C ATOM 289 CD PRO A 18 -14.628 5.029 -4.220 1.00 2.76 C ATOM 0 HA PRO A 18 -13.793 7.971 -3.109 1.00 3.03 H new ATOM 0 HB2 PRO A 18 -15.218 5.955 -1.449 1.00 3.25 H new ATOM 0 HB3 PRO A 18 -15.905 7.360 -2.240 1.00 3.25 H new ATOM 0 HG2 PRO A 18 -16.440 4.819 -3.049 1.00 3.01 H new ATOM 0 HG3 PRO A 18 -16.461 6.183 -4.149 1.00 3.01 H new ATOM 0 HD2 PRO A 18 -14.308 4.081 -3.789 1.00 2.76 H new ATOM 0 HD3 PRO A 18 -14.860 4.840 -5.268 1.00 2.76 H new ATOM 297 N LYS A 19 -12.615 5.444 -1.392 1.00 2.71 N ATOM 298 CA LYS A 19 -11.640 5.155 -0.303 1.00 2.68 C ATOM 299 C LYS A 19 -10.312 5.859 -0.597 1.00 2.60 C ATOM 300 O LYS A 19 -10.012 6.898 -0.044 1.00 2.92 O ATOM 301 CB LYS A 19 -11.409 3.644 -0.215 1.00 2.43 C ATOM 302 CG LYS A 19 -10.548 3.329 1.011 1.00 2.65 C ATOM 303 CD LYS A 19 -11.407 3.406 2.276 1.00 2.95 C ATOM 304 CE LYS A 19 -11.426 2.040 2.966 1.00 3.35 C ATOM 305 NZ LYS A 19 -12.215 2.130 4.228 1.00 3.78 N ATOM 0 H LYS A 19 -13.057 4.624 -1.809 1.00 2.71 H new ATOM 0 HA LYS A 19 -12.038 5.520 0.644 1.00 2.68 H new ATOM 0 HB2 LYS A 19 -12.364 3.123 -0.145 1.00 2.43 H new ATOM 0 HB3 LYS A 19 -10.916 3.287 -1.120 1.00 2.43 H new ATOM 0 HG2 LYS A 19 -10.112 2.335 0.916 1.00 2.65 H new ATOM 0 HG3 LYS A 19 -9.720 4.035 1.078 1.00 2.65 H new ATOM 0 HD2 LYS A 19 -11.009 4.161 2.953 1.00 2.95 H new ATOM 0 HD3 LYS A 19 -12.422 3.710 2.021 1.00 2.95 H new ATOM 0 HE2 LYS A 19 -11.863 1.293 2.304 1.00 3.35 H new ATOM 0 HE3 LYS A 19 -10.408 1.717 3.184 1.00 3.35 H new ATOM 0 HZ1 LYS A 19 -12.228 1.202 4.696 1.00 3.78 H new ATOM 0 HZ2 LYS A 19 -11.779 2.831 4.861 1.00 3.78 H new ATOM 0 HZ3 LYS A 19 -13.189 2.420 4.008 1.00 3.78 H new ATOM 319 N GLN A 20 -9.512 5.295 -1.459 1.00 2.23 N ATOM 320 CA GLN A 20 -8.198 5.919 -1.789 1.00 2.17 C ATOM 321 C GLN A 20 -8.348 7.438 -1.921 1.00 2.47 C ATOM 322 O GLN A 20 -7.615 8.196 -1.318 1.00 2.67 O ATOM 323 CB GLN A 20 -7.685 5.347 -3.112 1.00 1.82 C ATOM 324 CG GLN A 20 -6.946 4.033 -2.847 1.00 2.04 C ATOM 325 CD GLN A 20 -7.698 3.229 -1.784 1.00 2.40 C ATOM 326 OE1 GLN A 20 -8.871 2.953 -1.932 1.00 2.68 O ATOM 327 NE2 GLN A 20 -7.066 2.840 -0.711 1.00 3.11 N ATOM 0 H GLN A 20 -9.712 4.425 -1.952 1.00 2.23 H new ATOM 0 HA GLN A 20 -7.492 5.700 -0.988 1.00 2.17 H new ATOM 0 HB2 GLN A 20 -8.518 5.177 -3.794 1.00 1.82 H new ATOM 0 HB3 GLN A 20 -7.018 6.061 -3.595 1.00 1.82 H new ATOM 0 HG2 GLN A 20 -6.869 3.455 -3.768 1.00 2.04 H new ATOM 0 HG3 GLN A 20 -5.929 4.237 -2.512 1.00 2.04 H new ATOM 0 HE21 GLN A 20 -6.081 3.072 -0.587 1.00 3.11 H new ATOM 0 HE22 GLN A 20 -7.557 2.304 0.004 1.00 3.11 H new ATOM 336 N ILE A 21 -9.281 7.887 -2.713 1.00 2.56 N ATOM 337 CA ILE A 21 -9.467 9.356 -2.896 1.00 2.90 C ATOM 338 C ILE A 21 -9.584 10.054 -1.537 1.00 3.24 C ATOM 339 O ILE A 21 -9.086 11.144 -1.351 1.00 3.49 O ATOM 340 CB ILE A 21 -10.737 9.613 -3.711 1.00 3.05 C ATOM 341 CG1 ILE A 21 -10.461 9.329 -5.194 1.00 3.03 C ATOM 342 CG2 ILE A 21 -11.176 11.069 -3.538 1.00 3.33 C ATOM 343 CD1 ILE A 21 -9.478 10.362 -5.758 1.00 2.95 C ATOM 0 H ILE A 21 -9.925 7.300 -3.243 1.00 2.56 H new ATOM 0 HA ILE A 21 -8.602 9.756 -3.424 1.00 2.90 H new ATOM 0 HB ILE A 21 -11.531 8.955 -3.358 1.00 3.05 H new ATOM 0 HG12 ILE A 21 -10.051 8.326 -5.309 1.00 3.03 H new ATOM 0 HG13 ILE A 21 -11.394 9.359 -5.757 1.00 3.03 H new ATOM 0 HG21 ILE A 21 -12.080 11.248 -4.120 1.00 3.33 H new ATOM 0 HG22 ILE A 21 -11.377 11.266 -2.485 1.00 3.33 H new ATOM 0 HG23 ILE A 21 -10.384 11.732 -3.886 1.00 3.33 H new ATOM 0 HD11 ILE A 21 -9.291 10.149 -6.810 1.00 2.95 H new ATOM 0 HD12 ILE A 21 -9.904 11.361 -5.660 1.00 2.95 H new ATOM 0 HD13 ILE A 21 -8.540 10.311 -5.205 1.00 2.95 H new ATOM 355 N LYS A 22 -10.255 9.453 -0.593 1.00 3.30 N ATOM 356 CA LYS A 22 -10.410 10.111 0.739 1.00 3.66 C ATOM 357 C LYS A 22 -9.079 10.105 1.497 1.00 3.65 C ATOM 358 O LYS A 22 -8.368 11.094 1.529 1.00 3.83 O ATOM 359 CB LYS A 22 -11.466 9.367 1.558 1.00 3.74 C ATOM 360 CG LYS A 22 -12.776 10.159 1.537 1.00 4.16 C ATOM 361 CD LYS A 22 -13.883 9.335 2.198 1.00 4.15 C ATOM 362 CE LYS A 22 -14.895 10.277 2.852 1.00 4.71 C ATOM 363 NZ LYS A 22 -14.192 11.159 3.826 1.00 5.13 N ATOM 0 H LYS A 22 -10.701 8.540 -0.683 1.00 3.30 H new ATOM 0 HA LYS A 22 -10.723 11.144 0.585 1.00 3.66 H new ATOM 0 HB2 LYS A 22 -11.624 8.370 1.148 1.00 3.74 H new ATOM 0 HB3 LYS A 22 -11.122 9.238 2.584 1.00 3.74 H new ATOM 0 HG2 LYS A 22 -12.649 11.105 2.063 1.00 4.16 H new ATOM 0 HG3 LYS A 22 -13.051 10.399 0.510 1.00 4.16 H new ATOM 0 HD2 LYS A 22 -14.379 8.709 1.456 1.00 4.15 H new ATOM 0 HD3 LYS A 22 -13.457 8.666 2.945 1.00 4.15 H new ATOM 0 HE2 LYS A 22 -15.392 10.880 2.092 1.00 4.71 H new ATOM 0 HE3 LYS A 22 -15.670 9.701 3.359 1.00 4.71 H new ATOM 0 HZ1 LYS A 22 -14.820 11.357 4.631 1.00 5.13 H new ATOM 0 HZ2 LYS A 22 -13.332 10.684 4.167 1.00 5.13 H new ATOM 0 HZ3 LYS A 22 -13.933 12.052 3.361 1.00 5.13 H new ATOM 377 N GLU A 23 -8.736 9.008 2.116 1.00 3.49 N ATOM 378 CA GLU A 23 -7.454 8.959 2.873 1.00 3.52 C ATOM 379 C GLU A 23 -6.386 9.714 2.084 1.00 3.45 C ATOM 380 O GLU A 23 -5.585 10.441 2.636 1.00 3.67 O ATOM 381 CB GLU A 23 -7.022 7.503 3.060 1.00 3.26 C ATOM 382 CG GLU A 23 -6.297 7.355 4.399 1.00 3.53 C ATOM 383 CD GLU A 23 -7.318 7.369 5.538 1.00 3.55 C ATOM 384 OE1 GLU A 23 -8.306 6.663 5.430 1.00 4.17 O ATOM 385 OE2 GLU A 23 -7.094 8.085 6.499 1.00 3.52 O ATOM 0 H GLU A 23 -9.285 8.148 2.130 1.00 3.49 H new ATOM 0 HA GLU A 23 -7.585 9.419 3.852 1.00 3.52 H new ATOM 0 HB2 GLU A 23 -7.892 6.847 3.031 1.00 3.26 H new ATOM 0 HB3 GLU A 23 -6.367 7.199 2.244 1.00 3.26 H new ATOM 0 HG2 GLU A 23 -5.730 6.424 4.416 1.00 3.53 H new ATOM 0 HG3 GLU A 23 -5.581 8.167 4.528 1.00 3.53 H new ATOM 392 N HIS A 24 -6.382 9.555 0.791 1.00 3.18 N ATOM 393 CA HIS A 24 -5.382 10.268 -0.050 1.00 3.14 C ATOM 394 C HIS A 24 -5.865 11.696 -0.287 1.00 3.48 C ATOM 395 O HIS A 24 -5.096 12.632 -0.293 1.00 3.68 O ATOM 396 CB HIS A 24 -5.227 9.541 -1.385 1.00 2.74 C ATOM 397 CG HIS A 24 -5.012 8.076 -1.122 1.00 2.43 C ATOM 398 ND1 HIS A 24 -5.671 7.403 -0.102 1.00 2.53 N ATOM 399 CD2 HIS A 24 -4.209 7.144 -1.729 1.00 2.09 C ATOM 400 CE1 HIS A 24 -5.256 6.124 -0.126 1.00 2.27 C ATOM 401 NE2 HIS A 24 -4.366 5.915 -1.098 1.00 1.99 N ATOM 0 H HIS A 24 -7.032 8.959 0.278 1.00 3.18 H new ATOM 0 HA HIS A 24 -4.416 10.289 0.455 1.00 3.14 H new ATOM 0 HB2 HIS A 24 -6.116 9.687 -1.999 1.00 2.74 H new ATOM 0 HB3 HIS A 24 -4.384 9.951 -1.942 1.00 2.74 H new ATOM 0 HD2 HIS A 24 -3.556 7.335 -2.567 1.00 2.09 H new ATOM 0 HE1 HIS A 24 -5.600 5.361 0.556 1.00 2.27 H new ATOM 0 HE2 HIS A 24 -3.899 5.038 -1.329 1.00 1.99 H new ATOM 410 N GLY A 25 -7.144 11.863 -0.480 1.00 3.59 N ATOM 411 CA GLY A 25 -7.706 13.222 -0.714 1.00 3.97 C ATOM 412 C GLY A 25 -7.002 14.234 0.191 1.00 4.30 C ATOM 413 O GLY A 25 -6.764 15.362 -0.194 1.00 4.55 O ATOM 0 H GLY A 25 -7.830 11.108 -0.486 1.00 3.59 H new ATOM 0 HA2 GLY A 25 -7.578 13.504 -1.759 1.00 3.97 H new ATOM 0 HA3 GLY A 25 -8.777 13.223 -0.512 1.00 3.97 H new ATOM 417 N LEU A 26 -6.679 13.846 1.395 1.00 4.35 N ATOM 418 CA LEU A 26 -6.004 14.800 2.322 1.00 4.70 C ATOM 419 C LEU A 26 -5.038 15.683 1.525 1.00 4.77 C ATOM 420 O LEU A 26 -4.936 16.871 1.756 1.00 5.12 O ATOM 421 CB LEU A 26 -5.225 14.018 3.382 1.00 4.63 C ATOM 422 CG LEU A 26 -5.959 14.096 4.723 1.00 4.91 C ATOM 423 CD1 LEU A 26 -7.271 13.315 4.634 1.00 5.05 C ATOM 424 CD2 LEU A 26 -5.080 13.492 5.820 1.00 5.25 C ATOM 0 H LEU A 26 -6.852 12.916 1.776 1.00 4.35 H new ATOM 0 HA LEU A 26 -6.752 15.425 2.811 1.00 4.70 H new ATOM 0 HB2 LEU A 26 -5.118 12.978 3.075 1.00 4.63 H new ATOM 0 HB3 LEU A 26 -4.219 14.426 3.483 1.00 4.63 H new ATOM 0 HG LEU A 26 -6.173 15.138 4.960 1.00 4.91 H new ATOM 0 HD11 LEU A 26 -7.793 13.371 5.589 1.00 5.05 H new ATOM 0 HD12 LEU A 26 -7.898 13.744 3.852 1.00 5.05 H new ATOM 0 HD13 LEU A 26 -7.058 12.272 4.397 1.00 5.05 H new ATOM 0 HD21 LEU A 26 -5.602 13.547 6.776 1.00 5.25 H new ATOM 0 HD22 LEU A 26 -4.866 12.450 5.583 1.00 5.25 H new ATOM 0 HD23 LEU A 26 -4.145 14.048 5.885 1.00 5.25 H new ATOM 436 N LYS A 27 -4.345 15.117 0.575 1.00 4.45 N ATOM 437 CA LYS A 27 -3.410 15.932 -0.248 1.00 4.54 C ATOM 438 C LYS A 27 -4.088 16.258 -1.580 1.00 4.53 C ATOM 439 O LYS A 27 -5.026 15.599 -1.982 1.00 4.39 O ATOM 440 CB LYS A 27 -2.128 15.140 -0.510 1.00 4.26 C ATOM 441 CG LYS A 27 -2.069 13.933 0.428 1.00 4.20 C ATOM 442 CD LYS A 27 -0.627 13.435 0.527 1.00 4.03 C ATOM 443 CE LYS A 27 -0.494 12.486 1.720 1.00 4.24 C ATOM 444 NZ LYS A 27 -1.813 11.848 1.996 1.00 4.78 N ATOM 0 H LYS A 27 -4.386 14.127 0.334 1.00 4.45 H new ATOM 0 HA LYS A 27 -3.158 16.852 0.280 1.00 4.54 H new ATOM 0 HB2 LYS A 27 -2.099 14.808 -1.548 1.00 4.26 H new ATOM 0 HB3 LYS A 27 -1.257 15.777 -0.355 1.00 4.26 H new ATOM 0 HG2 LYS A 27 -2.439 14.208 1.416 1.00 4.20 H new ATOM 0 HG3 LYS A 27 -2.715 13.138 0.056 1.00 4.20 H new ATOM 0 HD2 LYS A 27 -0.345 12.922 -0.392 1.00 4.03 H new ATOM 0 HD3 LYS A 27 0.053 14.279 0.643 1.00 4.03 H new ATOM 0 HE2 LYS A 27 0.255 11.722 1.509 1.00 4.24 H new ATOM 0 HE3 LYS A 27 -0.152 13.034 2.598 1.00 4.24 H new ATOM 0 HZ1 LYS A 27 -1.676 11.020 2.610 1.00 4.78 H new ATOM 0 HZ2 LYS A 27 -2.437 12.532 2.471 1.00 4.78 H new ATOM 0 HZ3 LYS A 27 -2.247 11.547 1.100 1.00 4.78 H new ATOM 458 N LYS A 28 -3.633 17.267 -2.269 1.00 4.72 N ATOM 459 CA LYS A 28 -4.271 17.614 -3.569 1.00 4.75 C ATOM 460 C LYS A 28 -4.614 16.328 -4.321 1.00 4.34 C ATOM 461 O LYS A 28 -3.850 15.382 -4.327 1.00 4.07 O ATOM 462 CB LYS A 28 -3.310 18.465 -4.407 1.00 4.94 C ATOM 463 CG LYS A 28 -2.115 17.619 -4.856 1.00 4.69 C ATOM 464 CD LYS A 28 -1.225 18.454 -5.782 1.00 5.00 C ATOM 465 CE LYS A 28 0.217 17.950 -5.703 1.00 5.48 C ATOM 466 NZ LYS A 28 0.265 16.515 -6.100 1.00 5.79 N ATOM 0 H LYS A 28 -2.853 17.862 -1.991 1.00 4.72 H new ATOM 0 HA LYS A 28 -5.183 18.183 -3.387 1.00 4.75 H new ATOM 0 HB2 LYS A 28 -3.830 18.865 -5.277 1.00 4.94 H new ATOM 0 HB3 LYS A 28 -2.963 19.318 -3.823 1.00 4.94 H new ATOM 0 HG2 LYS A 28 -1.545 17.284 -3.989 1.00 4.69 H new ATOM 0 HG3 LYS A 28 -2.462 16.725 -5.374 1.00 4.69 H new ATOM 0 HD2 LYS A 28 -1.588 18.388 -6.808 1.00 5.00 H new ATOM 0 HD3 LYS A 28 -1.270 19.505 -5.495 1.00 5.00 H new ATOM 0 HE2 LYS A 28 0.856 18.541 -6.359 1.00 5.48 H new ATOM 0 HE3 LYS A 28 0.601 18.071 -4.690 1.00 5.48 H new ATOM 0 HZ1 LYS A 28 1.136 16.332 -6.637 1.00 5.79 H new ATOM 0 HZ2 LYS A 28 0.252 15.919 -5.248 1.00 5.79 H new ATOM 0 HZ3 LYS A 28 -0.560 16.291 -6.692 1.00 5.79 H new ATOM 480 N SER A 29 -5.759 16.282 -4.950 1.00 4.34 N ATOM 481 CA SER A 29 -6.153 15.052 -5.699 1.00 3.96 C ATOM 482 C SER A 29 -4.904 14.391 -6.283 1.00 3.66 C ATOM 483 O SER A 29 -4.449 14.735 -7.355 1.00 3.70 O ATOM 484 CB SER A 29 -7.109 15.429 -6.831 1.00 4.11 C ATOM 485 OG SER A 29 -8.200 16.167 -6.298 1.00 4.22 O ATOM 0 H SER A 29 -6.438 17.043 -4.978 1.00 4.34 H new ATOM 0 HA SER A 29 -6.649 14.356 -5.022 1.00 3.96 H new ATOM 0 HB2 SER A 29 -6.586 16.022 -7.582 1.00 4.11 H new ATOM 0 HB3 SER A 29 -7.472 14.531 -7.330 1.00 4.11 H new ATOM 0 HG SER A 29 -8.814 16.412 -7.022 1.00 4.22 H new ATOM 491 N ASN A 30 -4.339 13.452 -5.576 1.00 3.39 N ATOM 492 CA ASN A 30 -3.111 12.776 -6.079 1.00 3.13 C ATOM 493 C ASN A 30 -3.381 11.280 -6.268 1.00 2.69 C ATOM 494 O ASN A 30 -2.743 10.444 -5.659 1.00 2.48 O ATOM 495 CB ASN A 30 -1.983 12.970 -5.063 1.00 3.24 C ATOM 496 CG ASN A 30 -0.676 13.270 -5.799 1.00 3.16 C ATOM 497 OD1 ASN A 30 0.199 13.922 -5.265 1.00 3.19 O ATOM 498 ND2 ASN A 30 -0.506 12.817 -7.011 1.00 3.47 N ATOM 0 H ASN A 30 -4.675 13.123 -4.671 1.00 3.39 H new ATOM 0 HA ASN A 30 -2.823 13.208 -7.037 1.00 3.13 H new ATOM 0 HB2 ASN A 30 -2.227 13.788 -4.386 1.00 3.24 H new ATOM 0 HB3 ASN A 30 -1.871 12.074 -4.453 1.00 3.24 H new ATOM 0 HD21 ASN A 30 0.362 13.010 -7.511 1.00 3.47 H new ATOM 0 HD22 ASN A 30 -1.241 12.270 -7.459 1.00 3.47 H new ATOM 505 N LEU A 31 -4.318 10.930 -7.109 1.00 2.59 N ATOM 506 CA LEU A 31 -4.611 9.485 -7.326 1.00 2.18 C ATOM 507 C LEU A 31 -5.359 9.289 -8.647 1.00 2.20 C ATOM 508 O LEU A 31 -6.448 9.794 -8.836 1.00 2.42 O ATOM 509 CB LEU A 31 -5.471 8.964 -6.172 1.00 2.03 C ATOM 510 CG LEU A 31 -5.755 7.473 -6.377 1.00 1.74 C ATOM 511 CD1 LEU A 31 -5.091 6.663 -5.260 1.00 1.90 C ATOM 512 CD2 LEU A 31 -7.266 7.232 -6.345 1.00 2.26 C ATOM 0 H LEU A 31 -4.889 11.578 -7.651 1.00 2.59 H new ATOM 0 HA LEU A 31 -3.672 8.934 -7.366 1.00 2.18 H new ATOM 0 HB2 LEU A 31 -4.958 9.120 -5.223 1.00 2.03 H new ATOM 0 HB3 LEU A 31 -6.407 9.520 -6.123 1.00 2.03 H new ATOM 0 HG LEU A 31 -5.354 7.160 -7.341 1.00 1.74 H new ATOM 0 HD11 LEU A 31 -5.295 5.603 -5.409 1.00 1.90 H new ATOM 0 HD12 LEU A 31 -4.014 6.832 -5.279 1.00 1.90 H new ATOM 0 HD13 LEU A 31 -5.490 6.977 -4.296 1.00 1.90 H new ATOM 0 HD21 LEU A 31 -7.468 6.171 -6.491 1.00 2.26 H new ATOM 0 HD22 LEU A 31 -7.665 7.548 -5.381 1.00 2.26 H new ATOM 0 HD23 LEU A 31 -7.743 7.805 -7.140 1.00 2.26 H new ATOM 524 N GLN A 32 -4.788 8.547 -9.557 1.00 2.05 N ATOM 525 CA GLN A 32 -5.468 8.300 -10.861 1.00 2.17 C ATOM 526 C GLN A 32 -5.119 6.888 -11.341 1.00 1.90 C ATOM 527 O GLN A 32 -4.391 6.705 -12.294 1.00 2.00 O ATOM 528 CB GLN A 32 -4.995 9.327 -11.893 1.00 2.55 C ATOM 529 CG GLN A 32 -6.164 9.710 -12.802 1.00 2.84 C ATOM 530 CD GLN A 32 -6.883 10.931 -12.225 1.00 3.25 C ATOM 531 OE1 GLN A 32 -6.692 12.037 -12.688 1.00 3.79 O ATOM 532 NE2 GLN A 32 -7.706 10.774 -11.226 1.00 3.61 N ATOM 0 H GLN A 32 -3.877 8.100 -9.453 1.00 2.05 H new ATOM 0 HA GLN A 32 -6.547 8.393 -10.738 1.00 2.17 H new ATOM 0 HB2 GLN A 32 -4.606 10.212 -11.390 1.00 2.55 H new ATOM 0 HB3 GLN A 32 -4.179 8.914 -12.486 1.00 2.55 H new ATOM 0 HG2 GLN A 32 -5.801 9.930 -13.806 1.00 2.84 H new ATOM 0 HG3 GLN A 32 -6.858 8.874 -12.890 1.00 2.84 H new ATOM 0 HE21 GLN A 32 -7.866 9.844 -10.838 1.00 3.61 H new ATOM 0 HE22 GLN A 32 -8.190 11.581 -10.833 1.00 3.61 H new ATOM 541 N LEU A 33 -5.629 5.887 -10.677 1.00 1.66 N ATOM 542 CA LEU A 33 -5.322 4.488 -11.079 1.00 1.52 C ATOM 543 C LEU A 33 -6.362 3.993 -12.083 1.00 1.68 C ATOM 544 O LEU A 33 -7.315 4.677 -12.403 1.00 1.90 O ATOM 545 CB LEU A 33 -5.348 3.589 -9.840 1.00 1.28 C ATOM 546 CG LEU A 33 -6.766 3.553 -9.261 1.00 1.56 C ATOM 547 CD1 LEU A 33 -7.259 2.107 -9.203 1.00 2.23 C ATOM 548 CD2 LEU A 33 -6.757 4.143 -7.848 1.00 1.89 C ATOM 0 H LEU A 33 -6.247 5.980 -9.871 1.00 1.66 H new ATOM 0 HA LEU A 33 -4.335 4.456 -11.540 1.00 1.52 H new ATOM 0 HB2 LEU A 33 -5.026 2.581 -10.103 1.00 1.28 H new ATOM 0 HB3 LEU A 33 -4.648 3.963 -9.092 1.00 1.28 H new ATOM 0 HG LEU A 33 -7.430 4.139 -9.897 1.00 1.56 H new ATOM 0 HD11 LEU A 33 -8.268 2.083 -8.791 1.00 2.23 H new ATOM 0 HD12 LEU A 33 -7.267 1.685 -10.208 1.00 2.23 H new ATOM 0 HD13 LEU A 33 -6.594 1.521 -8.569 1.00 2.23 H new ATOM 0 HD21 LEU A 33 -7.766 4.117 -7.437 1.00 1.89 H new ATOM 0 HD22 LEU A 33 -6.091 3.558 -7.214 1.00 1.89 H new ATOM 0 HD23 LEU A 33 -6.407 5.175 -7.887 1.00 1.89 H new ATOM 560 N ARG A 34 -6.180 2.802 -12.576 1.00 1.69 N ATOM 561 CA ARG A 34 -7.146 2.236 -13.559 1.00 1.91 C ATOM 562 C ARG A 34 -7.739 0.944 -12.994 1.00 1.86 C ATOM 563 O ARG A 34 -7.243 0.391 -12.032 1.00 1.70 O ATOM 564 CB ARG A 34 -6.414 1.931 -14.869 1.00 2.20 C ATOM 565 CG ARG A 34 -6.453 3.162 -15.776 1.00 2.49 C ATOM 566 CD ARG A 34 -7.862 3.330 -16.350 1.00 2.81 C ATOM 567 NE ARG A 34 -7.777 3.509 -17.828 1.00 3.23 N ATOM 568 CZ ARG A 34 -8.821 3.916 -18.496 1.00 3.64 C ATOM 569 NH1 ARG A 34 -9.936 4.172 -17.871 1.00 4.04 N ATOM 570 NH2 ARG A 34 -8.748 4.068 -19.790 1.00 3.98 N ATOM 0 H ARG A 34 -5.398 2.191 -12.339 1.00 1.69 H new ATOM 0 HA ARG A 34 -7.945 2.954 -13.747 1.00 1.91 H new ATOM 0 HB2 ARG A 34 -5.381 1.651 -14.664 1.00 2.20 H new ATOM 0 HB3 ARG A 34 -6.881 1.083 -15.370 1.00 2.20 H new ATOM 0 HG2 ARG A 34 -6.170 4.051 -15.212 1.00 2.49 H new ATOM 0 HG3 ARG A 34 -5.730 3.054 -16.585 1.00 2.49 H new ATOM 0 HD2 ARG A 34 -8.470 2.457 -16.113 1.00 2.81 H new ATOM 0 HD3 ARG A 34 -8.351 4.192 -15.896 1.00 2.81 H new ATOM 0 HE ARG A 34 -6.903 3.313 -18.316 1.00 3.23 H new ATOM 0 HH11 ARG A 34 -9.992 4.054 -16.859 1.00 4.04 H new ATOM 0 HH12 ARG A 34 -10.752 4.490 -18.394 1.00 4.04 H new ATOM 0 HH21 ARG A 34 -7.875 3.869 -20.278 1.00 3.98 H new ATOM 0 HH22 ARG A 34 -9.564 4.386 -20.313 1.00 3.98 H new ATOM 584 N ASP A 35 -8.795 0.454 -13.583 1.00 2.10 N ATOM 585 CA ASP A 35 -9.412 -0.804 -13.076 1.00 2.16 C ATOM 586 C ASP A 35 -8.478 -1.980 -13.373 1.00 2.28 C ATOM 587 O ASP A 35 -8.209 -2.805 -12.522 1.00 2.26 O ATOM 588 CB ASP A 35 -10.755 -1.029 -13.776 1.00 2.43 C ATOM 589 CG ASP A 35 -11.859 -1.192 -12.728 1.00 2.46 C ATOM 590 OD1 ASP A 35 -11.670 -1.981 -11.816 1.00 2.74 O ATOM 591 OD2 ASP A 35 -12.872 -0.525 -12.854 1.00 2.85 O ATOM 0 H ASP A 35 -9.257 0.870 -14.392 1.00 2.10 H new ATOM 0 HA ASP A 35 -9.572 -0.727 -12.000 1.00 2.16 H new ATOM 0 HB2 ASP A 35 -10.982 -0.187 -14.430 1.00 2.43 H new ATOM 0 HB3 ASP A 35 -10.704 -1.917 -14.406 1.00 2.43 H new ATOM 596 N GLN A 36 -7.982 -2.061 -14.578 1.00 2.49 N ATOM 597 CA GLN A 36 -7.065 -3.178 -14.939 1.00 2.71 C ATOM 598 C GLN A 36 -6.013 -3.358 -13.843 1.00 2.51 C ATOM 599 O GLN A 36 -5.644 -4.462 -13.503 1.00 2.65 O ATOM 600 CB GLN A 36 -6.369 -2.855 -16.264 1.00 2.96 C ATOM 601 CG GLN A 36 -5.710 -4.118 -16.825 1.00 3.08 C ATOM 602 CD GLN A 36 -5.981 -4.207 -18.329 1.00 3.39 C ATOM 603 OE1 GLN A 36 -6.157 -3.201 -18.986 1.00 3.80 O ATOM 604 NE2 GLN A 36 -6.021 -5.378 -18.904 1.00 3.76 N ATOM 0 H GLN A 36 -8.174 -1.399 -15.330 1.00 2.49 H new ATOM 0 HA GLN A 36 -7.640 -4.098 -15.041 1.00 2.71 H new ATOM 0 HB2 GLN A 36 -7.092 -2.463 -16.979 1.00 2.96 H new ATOM 0 HB3 GLN A 36 -5.619 -2.079 -16.112 1.00 2.96 H new ATOM 0 HG2 GLN A 36 -4.636 -4.095 -16.638 1.00 3.08 H new ATOM 0 HG3 GLN A 36 -6.102 -5.001 -16.321 1.00 3.08 H new ATOM 0 HE21 GLN A 36 -5.873 -6.223 -18.352 1.00 3.76 H new ATOM 0 HE22 GLN A 36 -6.200 -5.448 -19.906 1.00 3.76 H new ATOM 613 N ALA A 37 -5.519 -2.282 -13.296 1.00 2.24 N ATOM 614 CA ALA A 37 -4.484 -2.394 -12.228 1.00 2.07 C ATOM 615 C ALA A 37 -5.068 -3.113 -11.007 1.00 2.00 C ATOM 616 O ALA A 37 -4.688 -4.222 -10.687 1.00 2.23 O ATOM 617 CB ALA A 37 -4.025 -0.994 -11.818 1.00 1.79 C ATOM 0 H ALA A 37 -5.787 -1.329 -13.542 1.00 2.24 H new ATOM 0 HA ALA A 37 -3.637 -2.964 -12.609 1.00 2.07 H new ATOM 0 HB1 ALA A 37 -3.268 -1.073 -11.037 1.00 1.79 H new ATOM 0 HB2 ALA A 37 -3.602 -0.482 -12.682 1.00 1.79 H new ATOM 0 HB3 ALA A 37 -4.877 -0.428 -11.442 1.00 1.79 H new ATOM 623 N ILE A 38 -5.981 -2.485 -10.319 1.00 1.76 N ATOM 624 CA ILE A 38 -6.582 -3.125 -9.112 1.00 1.77 C ATOM 625 C ILE A 38 -6.810 -4.617 -9.370 1.00 2.18 C ATOM 626 O ILE A 38 -6.565 -5.447 -8.517 1.00 2.35 O ATOM 627 CB ILE A 38 -7.922 -2.455 -8.796 1.00 1.66 C ATOM 628 CG1 ILE A 38 -7.680 -0.994 -8.400 1.00 1.41 C ATOM 629 CG2 ILE A 38 -8.603 -3.195 -7.641 1.00 1.83 C ATOM 630 CD1 ILE A 38 -7.433 -0.900 -6.892 1.00 1.81 C ATOM 0 H ILE A 38 -6.338 -1.555 -10.540 1.00 1.76 H new ATOM 0 HA ILE A 38 -5.902 -3.007 -8.268 1.00 1.77 H new ATOM 0 HB ILE A 38 -8.564 -2.490 -9.676 1.00 1.66 H new ATOM 0 HG12 ILE A 38 -6.823 -0.597 -8.944 1.00 1.41 H new ATOM 0 HG13 ILE A 38 -8.541 -0.385 -8.675 1.00 1.41 H new ATOM 0 HG21 ILE A 38 -9.557 -2.718 -7.416 1.00 1.83 H new ATOM 0 HG22 ILE A 38 -8.774 -4.233 -7.925 1.00 1.83 H new ATOM 0 HG23 ILE A 38 -7.963 -3.161 -6.759 1.00 1.83 H new ATOM 0 HD11 ILE A 38 -7.262 0.140 -6.616 1.00 1.81 H new ATOM 0 HD12 ILE A 38 -8.303 -1.279 -6.356 1.00 1.81 H new ATOM 0 HD13 ILE A 38 -6.558 -1.494 -6.629 1.00 1.81 H new ATOM 642 N LEU A 39 -7.282 -4.967 -10.536 1.00 2.38 N ATOM 643 CA LEU A 39 -7.528 -6.407 -10.837 1.00 2.79 C ATOM 644 C LEU A 39 -6.196 -7.130 -11.047 1.00 2.98 C ATOM 645 O LEU A 39 -6.011 -8.251 -10.619 1.00 3.25 O ATOM 646 CB LEU A 39 -8.379 -6.523 -12.103 1.00 2.99 C ATOM 647 CG LEU A 39 -9.722 -5.825 -11.882 1.00 2.97 C ATOM 648 CD1 LEU A 39 -10.642 -6.096 -13.074 1.00 3.06 C ATOM 649 CD2 LEU A 39 -10.373 -6.363 -10.606 1.00 3.27 C ATOM 0 H LEU A 39 -7.507 -4.320 -11.292 1.00 2.38 H new ATOM 0 HA LEU A 39 -8.054 -6.865 -9.999 1.00 2.79 H new ATOM 0 HB2 LEU A 39 -7.857 -6.072 -12.947 1.00 2.99 H new ATOM 0 HB3 LEU A 39 -8.539 -7.572 -12.351 1.00 2.99 H new ATOM 0 HG LEU A 39 -9.560 -4.752 -11.784 1.00 2.97 H new ATOM 0 HD11 LEU A 39 -11.599 -5.598 -12.916 1.00 3.06 H new ATOM 0 HD12 LEU A 39 -10.180 -5.714 -13.984 1.00 3.06 H new ATOM 0 HD13 LEU A 39 -10.803 -7.169 -13.172 1.00 3.06 H new ATOM 0 HD21 LEU A 39 -11.330 -5.866 -10.448 1.00 3.27 H new ATOM 0 HD22 LEU A 39 -10.534 -7.437 -10.704 1.00 3.27 H new ATOM 0 HD23 LEU A 39 -9.720 -6.170 -9.755 1.00 3.27 H new ATOM 661 N ASP A 40 -5.269 -6.496 -11.706 1.00 2.90 N ATOM 662 CA ASP A 40 -3.949 -7.141 -11.951 1.00 3.14 C ATOM 663 C ASP A 40 -3.241 -7.386 -10.618 1.00 3.06 C ATOM 664 O ASP A 40 -2.986 -8.510 -10.237 1.00 3.37 O ATOM 665 CB ASP A 40 -3.090 -6.223 -12.824 1.00 3.07 C ATOM 666 CG ASP A 40 -3.021 -6.786 -14.245 1.00 3.08 C ATOM 667 OD1 ASP A 40 -2.977 -7.999 -14.379 1.00 3.25 O ATOM 668 OD2 ASP A 40 -3.011 -5.996 -15.174 1.00 3.51 O ATOM 0 H ASP A 40 -5.368 -5.555 -12.087 1.00 2.90 H new ATOM 0 HA ASP A 40 -4.100 -8.093 -12.459 1.00 3.14 H new ATOM 0 HB2 ASP A 40 -3.513 -5.219 -12.840 1.00 3.07 H new ATOM 0 HB3 ASP A 40 -2.087 -6.140 -12.405 1.00 3.07 H new ATOM 673 N ILE A 41 -2.922 -6.344 -9.904 1.00 2.68 N ATOM 674 CA ILE A 41 -2.229 -6.523 -8.595 1.00 2.65 C ATOM 675 C ILE A 41 -2.877 -7.678 -7.822 1.00 2.94 C ATOM 676 O ILE A 41 -2.302 -8.737 -7.673 1.00 3.26 O ATOM 677 CB ILE A 41 -2.341 -5.237 -7.773 1.00 2.22 C ATOM 678 CG1 ILE A 41 -2.031 -5.545 -6.306 1.00 2.32 C ATOM 679 CG2 ILE A 41 -3.761 -4.672 -7.887 1.00 2.37 C ATOM 680 CD1 ILE A 41 -1.892 -4.236 -5.527 1.00 2.12 C ATOM 0 H ILE A 41 -3.110 -5.377 -10.168 1.00 2.68 H new ATOM 0 HA ILE A 41 -1.178 -6.750 -8.774 1.00 2.65 H new ATOM 0 HB ILE A 41 -1.630 -4.502 -8.152 1.00 2.22 H new ATOM 0 HG12 ILE A 41 -2.826 -6.154 -5.876 1.00 2.32 H new ATOM 0 HG13 ILE A 41 -1.110 -6.124 -6.232 1.00 2.32 H new ATOM 0 HG21 ILE A 41 -3.836 -3.756 -7.300 1.00 2.37 H new ATOM 0 HG22 ILE A 41 -3.983 -4.453 -8.932 1.00 2.37 H new ATOM 0 HG23 ILE A 41 -4.475 -5.404 -7.510 1.00 2.37 H new ATOM 0 HD11 ILE A 41 -1.671 -4.456 -4.482 1.00 2.12 H new ATOM 0 HD12 ILE A 41 -1.082 -3.644 -5.952 1.00 2.12 H new ATOM 0 HD13 ILE A 41 -2.824 -3.674 -5.590 1.00 2.12 H new ATOM 692 N ILE A 42 -4.066 -7.477 -7.323 1.00 2.87 N ATOM 693 CA ILE A 42 -4.750 -8.557 -6.554 1.00 3.19 C ATOM 694 C ILE A 42 -4.633 -9.887 -7.305 1.00 3.60 C ATOM 695 O ILE A 42 -4.435 -10.929 -6.712 1.00 3.92 O ATOM 696 CB ILE A 42 -6.228 -8.199 -6.384 1.00 3.11 C ATOM 697 CG1 ILE A 42 -6.897 -9.220 -5.458 1.00 3.32 C ATOM 698 CG2 ILE A 42 -6.917 -8.221 -7.749 1.00 3.62 C ATOM 699 CD1 ILE A 42 -8.404 -9.243 -5.726 1.00 3.55 C ATOM 0 H ILE A 42 -4.595 -6.610 -7.415 1.00 2.87 H new ATOM 0 HA ILE A 42 -4.279 -8.655 -5.576 1.00 3.19 H new ATOM 0 HB ILE A 42 -6.314 -7.203 -5.949 1.00 3.11 H new ATOM 0 HG12 ILE A 42 -6.472 -10.210 -5.624 1.00 3.32 H new ATOM 0 HG13 ILE A 42 -6.706 -8.962 -4.416 1.00 3.32 H new ATOM 0 HG21 ILE A 42 -7.970 -7.966 -7.629 1.00 3.62 H new ATOM 0 HG22 ILE A 42 -6.441 -7.496 -8.409 1.00 3.62 H new ATOM 0 HG23 ILE A 42 -6.832 -9.217 -8.183 1.00 3.62 H new ATOM 0 HD11 ILE A 42 -8.880 -9.969 -5.067 1.00 3.55 H new ATOM 0 HD12 ILE A 42 -8.822 -8.254 -5.538 1.00 3.55 H new ATOM 0 HD13 ILE A 42 -8.585 -9.522 -6.764 1.00 3.55 H new ATOM 711 N ARG A 43 -4.763 -9.862 -8.603 1.00 3.63 N ATOM 712 CA ARG A 43 -4.668 -11.127 -9.388 1.00 4.04 C ATOM 713 C ARG A 43 -3.288 -11.760 -9.191 1.00 4.23 C ATOM 714 O ARG A 43 -3.160 -12.965 -9.088 1.00 4.59 O ATOM 715 CB ARG A 43 -4.889 -10.827 -10.873 1.00 4.03 C ATOM 716 CG ARG A 43 -4.690 -12.106 -11.688 1.00 4.47 C ATOM 717 CD ARG A 43 -3.334 -12.057 -12.394 1.00 4.84 C ATOM 718 NE ARG A 43 -3.382 -11.051 -13.493 1.00 5.31 N ATOM 719 CZ ARG A 43 -4.037 -11.314 -14.590 1.00 5.83 C ATOM 720 NH1 ARG A 43 -4.646 -12.460 -14.726 1.00 6.20 N ATOM 721 NH2 ARG A 43 -4.083 -10.432 -15.552 1.00 6.20 N ATOM 0 H ARG A 43 -4.931 -9.021 -9.155 1.00 3.63 H new ATOM 0 HA ARG A 43 -5.432 -11.822 -9.041 1.00 4.04 H new ATOM 0 HB2 ARG A 43 -5.894 -10.436 -11.030 1.00 4.03 H new ATOM 0 HB3 ARG A 43 -4.192 -10.058 -11.207 1.00 4.03 H new ATOM 0 HG2 ARG A 43 -4.740 -12.977 -11.035 1.00 4.47 H new ATOM 0 HG3 ARG A 43 -5.490 -12.211 -12.421 1.00 4.47 H new ATOM 0 HD2 ARG A 43 -2.551 -11.797 -11.682 1.00 4.84 H new ATOM 0 HD3 ARG A 43 -3.086 -13.039 -12.796 1.00 4.84 H new ATOM 0 HE ARG A 43 -2.903 -10.157 -13.387 1.00 5.31 H new ATOM 0 HH11 ARG A 43 -4.610 -13.149 -13.975 1.00 6.20 H new ATOM 0 HH12 ARG A 43 -5.158 -12.667 -15.583 1.00 6.20 H new ATOM 0 HH21 ARG A 43 -3.606 -9.536 -15.446 1.00 6.20 H new ATOM 0 HH22 ARG A 43 -4.595 -10.639 -16.409 1.00 6.20 H new ATOM 735 N TYR A 44 -2.254 -10.965 -9.144 1.00 4.01 N ATOM 736 CA TYR A 44 -0.889 -11.532 -8.959 1.00 4.22 C ATOM 737 C TYR A 44 -0.691 -11.913 -7.492 1.00 4.35 C ATOM 738 O TYR A 44 -0.098 -12.926 -7.177 1.00 4.66 O ATOM 739 CB TYR A 44 0.154 -10.489 -9.363 1.00 3.98 C ATOM 740 CG TYR A 44 0.082 -10.257 -10.853 1.00 4.01 C ATOM 741 CD1 TYR A 44 0.425 -11.286 -11.739 1.00 4.35 C ATOM 742 CD2 TYR A 44 -0.328 -9.014 -11.350 1.00 3.97 C ATOM 743 CE1 TYR A 44 0.358 -11.072 -13.120 1.00 4.45 C ATOM 744 CE2 TYR A 44 -0.396 -8.799 -12.731 1.00 4.07 C ATOM 745 CZ TYR A 44 -0.053 -9.829 -13.616 1.00 4.22 C ATOM 746 OH TYR A 44 -0.120 -9.618 -14.979 1.00 4.38 O ATOM 0 H TYR A 44 -2.296 -9.949 -9.226 1.00 4.01 H new ATOM 0 HA TYR A 44 -0.775 -12.419 -9.582 1.00 4.22 H new ATOM 0 HB2 TYR A 44 -0.024 -9.555 -8.830 1.00 3.98 H new ATOM 0 HB3 TYR A 44 1.151 -10.830 -9.085 1.00 3.98 H new ATOM 0 HD1 TYR A 44 0.741 -12.245 -11.356 1.00 4.35 H new ATOM 0 HD2 TYR A 44 -0.592 -8.220 -10.667 1.00 3.97 H new ATOM 0 HE1 TYR A 44 0.623 -11.865 -13.803 1.00 4.45 H new ATOM 0 HE2 TYR A 44 -0.713 -7.840 -13.114 1.00 4.07 H new ATOM 0 HH TYR A 44 -0.424 -8.703 -15.154 1.00 4.38 H new ATOM 756 N TYR A 45 -1.178 -11.105 -6.592 1.00 4.13 N ATOM 757 CA TYR A 45 -1.015 -11.414 -5.145 1.00 4.28 C ATOM 758 C TYR A 45 -2.141 -12.336 -4.679 1.00 4.40 C ATOM 759 O TYR A 45 -1.903 -13.424 -4.194 1.00 4.69 O ATOM 760 CB TYR A 45 -1.061 -10.113 -4.344 1.00 4.13 C ATOM 761 CG TYR A 45 0.173 -9.303 -4.646 1.00 3.78 C ATOM 762 CD1 TYR A 45 0.388 -8.814 -5.938 1.00 3.49 C ATOM 763 CD2 TYR A 45 1.103 -9.044 -3.635 1.00 3.88 C ATOM 764 CE1 TYR A 45 1.534 -8.066 -6.221 1.00 3.28 C ATOM 765 CE2 TYR A 45 2.250 -8.296 -3.916 1.00 3.75 C ATOM 766 CZ TYR A 45 2.467 -7.806 -5.210 1.00 3.45 C ATOM 767 OH TYR A 45 3.599 -7.069 -5.489 1.00 3.46 O ATOM 0 H TYR A 45 -1.683 -10.243 -6.797 1.00 4.13 H new ATOM 0 HA TYR A 45 -0.058 -11.911 -4.989 1.00 4.28 H new ATOM 0 HB2 TYR A 45 -1.955 -9.545 -4.600 1.00 4.13 H new ATOM 0 HB3 TYR A 45 -1.116 -10.330 -3.277 1.00 4.13 H new ATOM 0 HD1 TYR A 45 -0.332 -9.014 -6.718 1.00 3.49 H new ATOM 0 HD2 TYR A 45 0.935 -9.422 -2.637 1.00 3.88 H new ATOM 0 HE1 TYR A 45 1.700 -7.689 -7.219 1.00 3.28 H new ATOM 0 HE2 TYR A 45 2.969 -8.096 -3.135 1.00 3.75 H new ATOM 0 HH TYR A 45 4.140 -6.980 -4.677 1.00 3.46 H new ATOM 777 N THR A 46 -3.366 -11.909 -4.815 1.00 4.34 N ATOM 778 CA THR A 46 -4.499 -12.765 -4.369 1.00 4.52 C ATOM 779 C THR A 46 -4.189 -13.313 -2.974 1.00 4.72 C ATOM 780 O THR A 46 -4.886 -14.165 -2.461 1.00 5.05 O ATOM 781 CB THR A 46 -4.681 -13.926 -5.350 1.00 4.77 C ATOM 782 OG1 THR A 46 -4.095 -13.584 -6.599 1.00 4.98 O ATOM 783 CG2 THR A 46 -6.171 -14.203 -5.544 1.00 4.95 C ATOM 0 H THR A 46 -3.630 -11.008 -5.214 1.00 4.34 H new ATOM 0 HA THR A 46 -5.416 -12.177 -4.337 1.00 4.52 H new ATOM 0 HB THR A 46 -4.197 -14.818 -4.952 1.00 4.77 H new ATOM 0 HG1 THR A 46 -4.447 -12.720 -6.900 1.00 4.98 H new ATOM 0 HG21 THR A 46 -6.299 -15.030 -6.243 1.00 4.95 H new ATOM 0 HG22 THR A 46 -6.620 -14.464 -4.586 1.00 4.95 H new ATOM 0 HG23 THR A 46 -6.658 -13.313 -5.942 1.00 4.95 H new ATOM 791 N ARG A 47 -3.144 -12.827 -2.360 1.00 4.64 N ATOM 792 CA ARG A 47 -2.779 -13.312 -0.999 1.00 4.87 C ATOM 793 C ARG A 47 -3.442 -12.417 0.051 1.00 4.77 C ATOM 794 O ARG A 47 -3.284 -11.213 0.041 1.00 4.59 O ATOM 795 CB ARG A 47 -1.258 -13.259 -0.832 1.00 4.93 C ATOM 796 CG ARG A 47 -0.781 -11.809 -0.932 1.00 4.59 C ATOM 797 CD ARG A 47 -0.407 -11.298 0.460 1.00 4.63 C ATOM 798 NE ARG A 47 0.258 -9.970 0.339 1.00 4.75 N ATOM 799 CZ ARG A 47 0.764 -9.395 1.394 1.00 4.73 C ATOM 800 NH1 ARG A 47 0.686 -9.982 2.558 1.00 5.08 N ATOM 801 NH2 ARG A 47 1.347 -8.232 1.287 1.00 4.66 N ATOM 0 H ARG A 47 -2.526 -12.113 -2.744 1.00 4.64 H new ATOM 0 HA ARG A 47 -3.122 -14.339 -0.870 1.00 4.87 H new ATOM 0 HB2 ARG A 47 -0.973 -13.681 0.132 1.00 4.93 H new ATOM 0 HB3 ARG A 47 -0.776 -13.865 -1.600 1.00 4.93 H new ATOM 0 HG2 ARG A 47 0.079 -11.743 -1.598 1.00 4.59 H new ATOM 0 HG3 ARG A 47 -1.565 -11.186 -1.361 1.00 4.59 H new ATOM 0 HD2 ARG A 47 -1.299 -11.215 1.080 1.00 4.63 H new ATOM 0 HD3 ARG A 47 0.259 -12.007 0.953 1.00 4.63 H new ATOM 0 HE ARG A 47 0.317 -9.511 -0.570 1.00 4.75 H new ATOM 0 HH11 ARG A 47 0.229 -10.890 2.642 1.00 5.08 H new ATOM 0 HH12 ARG A 47 1.082 -9.532 3.384 1.00 5.08 H new ATOM 0 HH21 ARG A 47 1.407 -7.773 0.378 1.00 4.66 H new ATOM 0 HH22 ARG A 47 1.743 -7.782 2.112 1.00 4.66 H new ATOM 815 N GLU A 48 -4.188 -12.991 0.957 1.00 5.04 N ATOM 816 CA GLU A 48 -4.857 -12.157 1.996 1.00 5.05 C ATOM 817 C GLU A 48 -5.764 -13.030 2.864 1.00 4.84 C ATOM 818 O GLU A 48 -6.065 -14.160 2.533 1.00 5.07 O ATOM 819 CB GLU A 48 -5.702 -11.080 1.311 1.00 5.42 C ATOM 820 CG GLU A 48 -6.443 -11.694 0.118 1.00 6.03 C ATOM 821 CD GLU A 48 -7.945 -11.440 0.261 1.00 6.15 C ATOM 822 OE1 GLU A 48 -8.414 -11.397 1.386 1.00 6.45 O ATOM 823 OE2 GLU A 48 -8.599 -11.293 -0.758 1.00 6.26 O ATOM 0 H GLU A 48 -4.362 -13.994 1.022 1.00 5.04 H new ATOM 0 HA GLU A 48 -4.098 -11.692 2.625 1.00 5.05 H new ATOM 0 HB2 GLU A 48 -6.416 -10.658 2.018 1.00 5.42 H new ATOM 0 HB3 GLU A 48 -5.065 -10.262 0.975 1.00 5.42 H new ATOM 0 HG2 GLU A 48 -6.077 -11.260 -0.813 1.00 6.03 H new ATOM 0 HG3 GLU A 48 -6.248 -12.765 0.068 1.00 6.03 H new ATOM 830 N ALA A 49 -6.211 -12.505 3.973 1.00 4.74 N ATOM 831 CA ALA A 49 -7.110 -13.285 4.868 1.00 4.77 C ATOM 832 C ALA A 49 -8.374 -12.467 5.134 1.00 4.64 C ATOM 833 O ALA A 49 -8.937 -12.502 6.210 1.00 4.88 O ATOM 834 CB ALA A 49 -6.396 -13.569 6.191 1.00 5.18 C ATOM 0 H ALA A 49 -5.990 -11.564 4.298 1.00 4.74 H new ATOM 0 HA ALA A 49 -7.374 -14.230 4.394 1.00 4.77 H new ATOM 0 HB1 ALA A 49 -7.055 -14.140 6.845 1.00 5.18 H new ATOM 0 HB2 ALA A 49 -5.489 -14.143 5.999 1.00 5.18 H new ATOM 0 HB3 ALA A 49 -6.134 -12.627 6.673 1.00 5.18 H new ATOM 840 N GLY A 50 -8.818 -11.722 4.158 1.00 4.42 N ATOM 841 CA GLY A 50 -10.035 -10.889 4.341 1.00 4.33 C ATOM 842 C GLY A 50 -9.918 -9.641 3.467 1.00 3.99 C ATOM 843 O GLY A 50 -8.837 -9.243 3.080 1.00 3.81 O ATOM 0 H GLY A 50 -8.385 -11.656 3.237 1.00 4.42 H new ATOM 0 HA2 GLY A 50 -10.925 -11.457 4.069 1.00 4.33 H new ATOM 0 HA3 GLY A 50 -10.144 -10.607 5.388 1.00 4.33 H new ATOM 847 N VAL A 51 -11.018 -9.022 3.148 1.00 3.93 N ATOM 848 CA VAL A 51 -10.964 -7.803 2.293 1.00 3.62 C ATOM 849 C VAL A 51 -10.183 -6.700 3.009 1.00 3.49 C ATOM 850 O VAL A 51 -9.375 -6.016 2.415 1.00 3.26 O ATOM 851 CB VAL A 51 -12.383 -7.314 2.006 1.00 3.60 C ATOM 852 CG1 VAL A 51 -13.238 -8.482 1.506 1.00 3.77 C ATOM 853 CG2 VAL A 51 -12.994 -6.746 3.290 1.00 3.83 C ATOM 0 H VAL A 51 -11.953 -9.306 3.441 1.00 3.93 H new ATOM 0 HA VAL A 51 -10.465 -8.048 1.355 1.00 3.62 H new ATOM 0 HB VAL A 51 -12.352 -6.537 1.242 1.00 3.60 H new ATOM 0 HG11 VAL A 51 -14.250 -8.131 1.302 1.00 3.77 H new ATOM 0 HG12 VAL A 51 -12.803 -8.886 0.592 1.00 3.77 H new ATOM 0 HG13 VAL A 51 -13.271 -9.261 2.268 1.00 3.77 H new ATOM 0 HG21 VAL A 51 -14.006 -6.397 3.088 1.00 3.83 H new ATOM 0 HG22 VAL A 51 -13.024 -7.523 4.053 1.00 3.83 H new ATOM 0 HG23 VAL A 51 -12.387 -5.913 3.644 1.00 3.83 H new ATOM 863 N ARG A 52 -10.417 -6.517 4.279 1.00 3.66 N ATOM 864 CA ARG A 52 -9.684 -5.454 5.021 1.00 3.59 C ATOM 865 C ARG A 52 -8.229 -5.422 4.549 1.00 3.45 C ATOM 866 O ARG A 52 -7.719 -4.396 4.142 1.00 3.24 O ATOM 867 CB ARG A 52 -9.728 -5.751 6.521 1.00 3.89 C ATOM 868 CG ARG A 52 -10.763 -4.845 7.190 1.00 3.81 C ATOM 869 CD ARG A 52 -10.160 -3.457 7.416 1.00 3.90 C ATOM 870 NE ARG A 52 -11.253 -2.475 7.666 1.00 4.45 N ATOM 871 CZ ARG A 52 -11.830 -1.873 6.663 1.00 4.78 C ATOM 872 NH1 ARG A 52 -11.451 -2.129 5.441 1.00 5.29 N ATOM 873 NH2 ARG A 52 -12.788 -1.013 6.883 1.00 4.88 N ATOM 0 H ARG A 52 -11.082 -7.056 4.834 1.00 3.66 H new ATOM 0 HA ARG A 52 -10.152 -4.488 4.832 1.00 3.59 H new ATOM 0 HB2 ARG A 52 -9.983 -6.798 6.688 1.00 3.89 H new ATOM 0 HB3 ARG A 52 -8.746 -5.588 6.964 1.00 3.89 H new ATOM 0 HG2 ARG A 52 -11.653 -4.769 6.565 1.00 3.81 H new ATOM 0 HG3 ARG A 52 -11.077 -5.275 8.141 1.00 3.81 H new ATOM 0 HD2 ARG A 52 -9.476 -3.480 8.264 1.00 3.90 H new ATOM 0 HD3 ARG A 52 -9.578 -3.155 6.545 1.00 3.90 H new ATOM 0 HE ARG A 52 -11.550 -2.274 8.621 1.00 4.45 H new ATOM 0 HH11 ARG A 52 -10.703 -2.801 5.269 1.00 5.29 H new ATOM 0 HH12 ARG A 52 -11.903 -1.658 4.658 1.00 5.29 H new ATOM 0 HH21 ARG A 52 -13.084 -0.813 7.838 1.00 4.88 H new ATOM 0 HH22 ARG A 52 -13.240 -0.542 6.100 1.00 4.88 H new ATOM 887 N SER A 53 -7.559 -6.540 4.594 1.00 3.59 N ATOM 888 CA SER A 53 -6.141 -6.574 4.143 1.00 3.52 C ATOM 889 C SER A 53 -6.072 -6.182 2.669 1.00 3.25 C ATOM 890 O SER A 53 -5.305 -5.325 2.279 1.00 3.07 O ATOM 891 CB SER A 53 -5.581 -7.982 4.321 1.00 3.79 C ATOM 892 OG SER A 53 -6.221 -8.606 5.426 1.00 4.13 O ATOM 0 H SER A 53 -7.932 -7.430 4.923 1.00 3.59 H new ATOM 0 HA SER A 53 -5.553 -5.874 4.737 1.00 3.52 H new ATOM 0 HB2 SER A 53 -5.742 -8.567 3.415 1.00 3.79 H new ATOM 0 HB3 SER A 53 -4.504 -7.939 4.486 1.00 3.79 H new ATOM 0 HG SER A 53 -5.865 -9.511 5.542 1.00 4.13 H new ATOM 898 N LEU A 54 -6.873 -6.797 1.847 1.00 3.24 N ATOM 899 CA LEU A 54 -6.856 -6.450 0.400 1.00 3.01 C ATOM 900 C LEU A 54 -6.886 -4.930 0.266 1.00 2.70 C ATOM 901 O LEU A 54 -5.967 -4.322 -0.247 1.00 2.50 O ATOM 902 CB LEU A 54 -8.081 -7.051 -0.290 1.00 3.09 C ATOM 903 CG LEU A 54 -7.750 -7.345 -1.753 1.00 3.38 C ATOM 904 CD1 LEU A 54 -8.926 -8.072 -2.408 1.00 3.77 C ATOM 905 CD2 LEU A 54 -7.489 -6.030 -2.491 1.00 3.76 C ATOM 0 H LEU A 54 -7.538 -7.524 2.113 1.00 3.24 H new ATOM 0 HA LEU A 54 -5.956 -6.850 -0.068 1.00 3.01 H new ATOM 0 HB2 LEU A 54 -8.384 -7.967 0.217 1.00 3.09 H new ATOM 0 HB3 LEU A 54 -8.922 -6.360 -0.228 1.00 3.09 H new ATOM 0 HG LEU A 54 -6.861 -7.974 -1.804 1.00 3.38 H new ATOM 0 HD11 LEU A 54 -8.689 -8.281 -3.451 1.00 3.77 H new ATOM 0 HD12 LEU A 54 -9.112 -9.009 -1.883 1.00 3.77 H new ATOM 0 HD13 LEU A 54 -9.816 -7.444 -2.357 1.00 3.77 H new ATOM 0 HD21 LEU A 54 -7.253 -6.239 -3.534 1.00 3.76 H new ATOM 0 HD22 LEU A 54 -8.378 -5.401 -2.439 1.00 3.76 H new ATOM 0 HD23 LEU A 54 -6.650 -5.512 -2.026 1.00 3.76 H new ATOM 917 N GLU A 55 -7.930 -4.310 0.740 1.00 2.70 N ATOM 918 CA GLU A 55 -8.010 -2.828 0.657 1.00 2.48 C ATOM 919 C GLU A 55 -6.684 -2.241 1.138 1.00 2.44 C ATOM 920 O GLU A 55 -6.182 -1.281 0.588 1.00 2.24 O ATOM 921 CB GLU A 55 -9.148 -2.325 1.547 1.00 2.64 C ATOM 922 CG GLU A 55 -8.987 -0.822 1.779 1.00 3.13 C ATOM 923 CD GLU A 55 -8.045 -0.586 2.962 1.00 3.08 C ATOM 924 OE1 GLU A 55 -8.170 -1.297 3.945 1.00 3.37 O ATOM 925 OE2 GLU A 55 -7.215 0.304 2.865 1.00 3.25 O ATOM 0 H GLU A 55 -8.729 -4.766 1.180 1.00 2.70 H new ATOM 0 HA GLU A 55 -8.202 -2.521 -0.371 1.00 2.48 H new ATOM 0 HB2 GLU A 55 -10.110 -2.530 1.077 1.00 2.64 H new ATOM 0 HB3 GLU A 55 -9.140 -2.854 2.500 1.00 2.64 H new ATOM 0 HG2 GLU A 55 -8.589 -0.346 0.883 1.00 3.13 H new ATOM 0 HG3 GLU A 55 -9.958 -0.368 1.977 1.00 3.13 H new ATOM 932 N ARG A 56 -6.110 -2.814 2.163 1.00 2.67 N ATOM 933 CA ARG A 56 -4.815 -2.289 2.677 1.00 2.70 C ATOM 934 C ARG A 56 -3.750 -2.413 1.587 1.00 2.55 C ATOM 935 O ARG A 56 -2.934 -1.535 1.407 1.00 2.44 O ATOM 936 CB ARG A 56 -4.386 -3.090 3.908 1.00 3.02 C ATOM 937 CG ARG A 56 -3.725 -2.153 4.920 1.00 3.23 C ATOM 938 CD ARG A 56 -2.374 -1.683 4.377 1.00 3.58 C ATOM 939 NE ARG A 56 -1.402 -1.567 5.501 1.00 3.90 N ATOM 940 CZ ARG A 56 -0.986 -2.639 6.117 1.00 4.07 C ATOM 941 NH1 ARG A 56 -1.419 -3.814 5.748 1.00 4.15 N ATOM 942 NH2 ARG A 56 -0.137 -2.537 7.103 1.00 4.50 N ATOM 0 H ARG A 56 -6.482 -3.621 2.664 1.00 2.67 H new ATOM 0 HA ARG A 56 -4.932 -1.241 2.954 1.00 2.70 H new ATOM 0 HB2 ARG A 56 -5.251 -3.577 4.358 1.00 3.02 H new ATOM 0 HB3 ARG A 56 -3.691 -3.878 3.618 1.00 3.02 H new ATOM 0 HG2 ARG A 56 -4.370 -1.295 5.112 1.00 3.23 H new ATOM 0 HG3 ARG A 56 -3.587 -2.667 5.871 1.00 3.23 H new ATOM 0 HD2 ARG A 56 -2.004 -2.388 3.633 1.00 3.58 H new ATOM 0 HD3 ARG A 56 -2.485 -0.721 3.877 1.00 3.58 H new ATOM 0 HE ARG A 56 -1.062 -0.649 5.789 1.00 3.90 H new ATOM 0 HH11 ARG A 56 -2.083 -3.894 4.978 1.00 4.15 H new ATOM 0 HH12 ARG A 56 -1.093 -4.652 6.230 1.00 4.15 H new ATOM 0 HH21 ARG A 56 0.201 -1.619 7.392 1.00 4.50 H new ATOM 0 HH22 ARG A 56 0.188 -3.375 7.585 1.00 4.50 H new ATOM 956 N GLN A 57 -3.753 -3.493 0.856 1.00 2.60 N ATOM 957 CA GLN A 57 -2.741 -3.658 -0.224 1.00 2.55 C ATOM 958 C GLN A 57 -2.936 -2.545 -1.255 1.00 2.17 C ATOM 959 O GLN A 57 -2.001 -1.875 -1.650 1.00 2.06 O ATOM 960 CB GLN A 57 -2.925 -5.019 -0.899 1.00 2.77 C ATOM 961 CG GLN A 57 -1.607 -5.450 -1.545 1.00 3.44 C ATOM 962 CD GLN A 57 -1.897 -6.299 -2.784 1.00 3.90 C ATOM 963 OE1 GLN A 57 -2.703 -5.927 -3.614 1.00 4.27 O ATOM 964 NE2 GLN A 57 -1.271 -7.432 -2.945 1.00 4.38 N ATOM 0 H GLN A 57 -4.410 -4.266 0.959 1.00 2.60 H new ATOM 0 HA GLN A 57 -1.737 -3.603 0.198 1.00 2.55 H new ATOM 0 HB2 GLN A 57 -3.243 -5.761 -0.166 1.00 2.77 H new ATOM 0 HB3 GLN A 57 -3.710 -4.960 -1.653 1.00 2.77 H new ATOM 0 HG2 GLN A 57 -1.022 -4.573 -1.821 1.00 3.44 H new ATOM 0 HG3 GLN A 57 -1.010 -6.020 -0.833 1.00 3.44 H new ATOM 0 HE21 GLN A 57 -0.594 -7.744 -2.248 1.00 4.38 H new ATOM 0 HE22 GLN A 57 -1.458 -8.006 -3.767 1.00 4.38 H new ATOM 973 N LEU A 58 -4.151 -2.337 -1.683 1.00 2.02 N ATOM 974 CA LEU A 58 -4.418 -1.262 -2.677 1.00 1.68 C ATOM 975 C LEU A 58 -3.997 0.078 -2.079 1.00 1.58 C ATOM 976 O LEU A 58 -3.238 0.821 -2.666 1.00 1.43 O ATOM 977 CB LEU A 58 -5.911 -1.230 -3.010 1.00 1.62 C ATOM 978 CG LEU A 58 -6.427 -2.659 -3.172 1.00 1.85 C ATOM 979 CD1 LEU A 58 -7.865 -2.628 -3.696 1.00 1.99 C ATOM 980 CD2 LEU A 58 -5.540 -3.411 -4.165 1.00 1.83 C ATOM 0 H LEU A 58 -4.971 -2.866 -1.386 1.00 2.02 H new ATOM 0 HA LEU A 58 -3.854 -1.453 -3.590 1.00 1.68 H new ATOM 0 HB2 LEU A 58 -6.460 -0.721 -2.218 1.00 1.62 H new ATOM 0 HB3 LEU A 58 -6.078 -0.665 -3.927 1.00 1.62 H new ATOM 0 HG LEU A 58 -6.403 -3.164 -2.207 1.00 1.85 H new ATOM 0 HD11 LEU A 58 -8.232 -3.648 -3.811 1.00 1.99 H new ATOM 0 HD12 LEU A 58 -8.498 -2.092 -2.989 1.00 1.99 H new ATOM 0 HD13 LEU A 58 -7.890 -2.122 -4.661 1.00 1.99 H new ATOM 0 HD21 LEU A 58 -5.907 -4.431 -4.281 1.00 1.83 H new ATOM 0 HD22 LEU A 58 -5.564 -2.905 -5.130 1.00 1.83 H new ATOM 0 HD23 LEU A 58 -4.516 -3.435 -3.793 1.00 1.83 H new ATOM 992 N ALA A 59 -4.472 0.389 -0.904 1.00 1.76 N ATOM 993 CA ALA A 59 -4.082 1.675 -0.267 1.00 1.84 C ATOM 994 C ALA A 59 -2.557 1.751 -0.221 1.00 1.88 C ATOM 995 O ALA A 59 -1.969 2.792 -0.431 1.00 1.89 O ATOM 996 CB ALA A 59 -4.642 1.736 1.156 1.00 2.14 C ATOM 0 H ALA A 59 -5.111 -0.191 -0.360 1.00 1.76 H new ATOM 0 HA ALA A 59 -4.481 2.511 -0.841 1.00 1.84 H new ATOM 0 HB1 ALA A 59 -4.354 2.679 1.620 1.00 2.14 H new ATOM 0 HB2 ALA A 59 -5.729 1.665 1.123 1.00 2.14 H new ATOM 0 HB3 ALA A 59 -4.242 0.907 1.740 1.00 2.14 H new ATOM 1002 N ALA A 60 -1.916 0.648 0.054 1.00 2.01 N ATOM 1003 CA ALA A 60 -0.428 0.639 0.121 1.00 2.14 C ATOM 1004 C ALA A 60 0.149 1.157 -1.198 1.00 1.95 C ATOM 1005 O ALA A 60 0.931 2.083 -1.219 1.00 2.00 O ATOM 1006 CB ALA A 60 0.061 -0.790 0.367 1.00 2.38 C ATOM 0 H ALA A 60 -2.362 -0.251 0.236 1.00 2.01 H new ATOM 0 HA ALA A 60 -0.098 1.283 0.936 1.00 2.14 H new ATOM 0 HB1 ALA A 60 1.150 -0.799 0.416 1.00 2.38 H new ATOM 0 HB2 ALA A 60 -0.348 -1.157 1.308 1.00 2.38 H new ATOM 0 HB3 ALA A 60 -0.270 -1.433 -0.448 1.00 2.38 H new ATOM 1012 N ILE A 61 -0.227 0.568 -2.301 1.00 1.80 N ATOM 1013 CA ILE A 61 0.309 1.039 -3.611 1.00 1.69 C ATOM 1014 C ILE A 61 -0.154 2.477 -3.861 1.00 1.52 C ATOM 1015 O ILE A 61 0.611 3.325 -4.278 1.00 1.60 O ATOM 1016 CB ILE A 61 -0.197 0.120 -4.733 1.00 1.66 C ATOM 1017 CG1 ILE A 61 0.886 -0.018 -5.805 1.00 1.80 C ATOM 1018 CG2 ILE A 61 -1.463 0.703 -5.368 1.00 1.38 C ATOM 1019 CD1 ILE A 61 0.340 -0.828 -6.984 1.00 1.86 C ATOM 0 H ILE A 61 -0.879 -0.215 -2.352 1.00 1.80 H new ATOM 0 HA ILE A 61 1.399 1.011 -3.594 1.00 1.69 H new ATOM 0 HB ILE A 61 -0.429 -0.857 -4.310 1.00 1.66 H new ATOM 0 HG12 ILE A 61 1.204 0.968 -6.144 1.00 1.80 H new ATOM 0 HG13 ILE A 61 1.764 -0.510 -5.388 1.00 1.80 H new ATOM 0 HG21 ILE A 61 -1.810 0.041 -6.161 1.00 1.38 H new ATOM 0 HG22 ILE A 61 -2.240 0.798 -4.609 1.00 1.38 H new ATOM 0 HG23 ILE A 61 -1.241 1.685 -5.786 1.00 1.38 H new ATOM 0 HD11 ILE A 61 1.112 -0.926 -7.747 1.00 1.86 H new ATOM 0 HD12 ILE A 61 0.044 -1.818 -6.639 1.00 1.86 H new ATOM 0 HD13 ILE A 61 -0.525 -0.317 -7.407 1.00 1.86 H new ATOM 1031 N CYS A 62 -1.404 2.753 -3.611 1.00 1.37 N ATOM 1032 CA CYS A 62 -1.927 4.130 -3.836 1.00 1.36 C ATOM 1033 C CYS A 62 -1.059 5.145 -3.088 1.00 1.65 C ATOM 1034 O CYS A 62 -0.319 5.901 -3.687 1.00 1.77 O ATOM 1035 CB CYS A 62 -3.366 4.213 -3.325 1.00 1.31 C ATOM 1036 SG CYS A 62 -4.474 3.418 -4.514 1.00 1.08 S ATOM 0 H CYS A 62 -2.088 2.082 -3.260 1.00 1.37 H new ATOM 0 HA CYS A 62 -1.902 4.356 -4.902 1.00 1.36 H new ATOM 0 HB2 CYS A 62 -3.447 3.725 -2.354 1.00 1.31 H new ATOM 0 HB3 CYS A 62 -3.654 5.255 -3.184 1.00 1.31 H new ATOM 0 HG CYS A 62 -4.930 2.310 -4.009 1.00 1.08 H new ATOM 1042 N ARG A 63 -1.147 5.178 -1.786 1.00 1.85 N ATOM 1043 CA ARG A 63 -0.328 6.155 -1.016 1.00 2.17 C ATOM 1044 C ARG A 63 1.151 5.968 -1.353 1.00 2.24 C ATOM 1045 O ARG A 63 1.846 6.917 -1.651 1.00 2.43 O ATOM 1046 CB ARG A 63 -0.546 5.955 0.483 1.00 2.37 C ATOM 1047 CG ARG A 63 -0.105 4.549 0.890 1.00 3.04 C ATOM 1048 CD ARG A 63 1.322 4.597 1.438 1.00 3.30 C ATOM 1049 NE ARG A 63 1.288 4.980 2.878 1.00 3.44 N ATOM 1050 CZ ARG A 63 2.403 5.135 3.537 1.00 3.89 C ATOM 1051 NH1 ARG A 63 3.546 4.958 2.935 1.00 4.21 N ATOM 1052 NH2 ARG A 63 2.373 5.468 4.798 1.00 4.24 N ATOM 0 H ARG A 63 -1.748 4.574 -1.225 1.00 1.85 H new ATOM 0 HA ARG A 63 -0.634 7.166 -1.287 1.00 2.17 H new ATOM 0 HB2 ARG A 63 0.019 6.699 1.044 1.00 2.37 H new ATOM 0 HB3 ARG A 63 -1.598 6.101 0.729 1.00 2.37 H new ATOM 0 HG2 ARG A 63 -0.782 4.149 1.645 1.00 3.04 H new ATOM 0 HG3 ARG A 63 -0.153 3.879 0.032 1.00 3.04 H new ATOM 0 HD2 ARG A 63 1.801 3.625 1.320 1.00 3.30 H new ATOM 0 HD3 ARG A 63 1.916 5.316 0.873 1.00 3.30 H new ATOM 0 HE ARG A 63 0.394 5.121 3.348 1.00 3.44 H new ATOM 0 HH11 ARG A 63 3.568 4.698 1.949 1.00 4.21 H new ATOM 0 HH12 ARG A 63 4.418 5.079 3.450 1.00 4.21 H new ATOM 0 HH21 ARG A 63 1.478 5.607 5.268 1.00 4.24 H new ATOM 0 HH22 ARG A 63 3.244 5.589 5.314 1.00 4.24 H new ATOM 1066 N LYS A 64 1.639 4.754 -1.327 1.00 2.16 N ATOM 1067 CA LYS A 64 3.070 4.537 -1.671 1.00 2.31 C ATOM 1068 C LYS A 64 3.393 5.454 -2.841 1.00 2.31 C ATOM 1069 O LYS A 64 4.442 6.063 -2.908 1.00 2.54 O ATOM 1070 CB LYS A 64 3.296 3.076 -2.073 1.00 2.27 C ATOM 1071 CG LYS A 64 4.742 2.889 -2.539 1.00 2.54 C ATOM 1072 CD LYS A 64 5.692 3.112 -1.360 1.00 2.48 C ATOM 1073 CE LYS A 64 6.871 2.141 -1.459 1.00 3.09 C ATOM 1074 NZ LYS A 64 7.233 1.945 -2.892 1.00 3.72 N ATOM 0 H LYS A 64 1.113 3.914 -1.085 1.00 2.16 H new ATOM 0 HA LYS A 64 3.712 4.756 -0.818 1.00 2.31 H new ATOM 0 HB2 LYS A 64 3.088 2.420 -1.228 1.00 2.27 H new ATOM 0 HB3 LYS A 64 2.607 2.797 -2.871 1.00 2.27 H new ATOM 0 HG2 LYS A 64 4.878 1.886 -2.944 1.00 2.54 H new ATOM 0 HG3 LYS A 64 4.970 3.591 -3.341 1.00 2.54 H new ATOM 0 HD2 LYS A 64 6.054 4.140 -1.361 1.00 2.48 H new ATOM 0 HD3 LYS A 64 5.162 2.961 -0.419 1.00 2.48 H new ATOM 0 HE2 LYS A 64 7.726 2.532 -0.907 1.00 3.09 H new ATOM 0 HE3 LYS A 64 6.608 1.185 -1.005 1.00 3.09 H new ATOM 0 HZ1 LYS A 64 8.226 1.645 -2.961 1.00 3.72 H new ATOM 0 HZ2 LYS A 64 6.621 1.214 -3.308 1.00 3.72 H new ATOM 0 HZ3 LYS A 64 7.105 2.839 -3.408 1.00 3.72 H new ATOM 1088 N ALA A 65 2.468 5.573 -3.750 1.00 2.10 N ATOM 1089 CA ALA A 65 2.670 6.471 -4.914 1.00 2.20 C ATOM 1090 C ALA A 65 2.540 7.918 -4.436 1.00 2.45 C ATOM 1091 O ALA A 65 3.266 8.792 -4.865 1.00 2.70 O ATOM 1092 CB ALA A 65 1.604 6.181 -5.973 1.00 1.98 C ATOM 0 H ALA A 65 1.574 5.082 -3.734 1.00 2.10 H new ATOM 0 HA ALA A 65 3.656 6.308 -5.349 1.00 2.20 H new ATOM 0 HB1 ALA A 65 1.752 6.840 -6.828 1.00 1.98 H new ATOM 0 HB2 ALA A 65 1.685 5.143 -6.297 1.00 1.98 H new ATOM 0 HB3 ALA A 65 0.614 6.352 -5.550 1.00 1.98 H new ATOM 1098 N ALA A 66 1.617 8.176 -3.543 1.00 2.44 N ATOM 1099 CA ALA A 66 1.443 9.566 -3.034 1.00 2.78 C ATOM 1100 C ALA A 66 2.771 10.067 -2.465 1.00 3.05 C ATOM 1101 O ALA A 66 3.159 11.199 -2.676 1.00 3.35 O ATOM 1102 CB ALA A 66 0.380 9.577 -1.933 1.00 2.80 C ATOM 0 H ALA A 66 0.980 7.485 -3.147 1.00 2.44 H new ATOM 0 HA ALA A 66 1.127 10.216 -3.850 1.00 2.78 H new ATOM 0 HB1 ALA A 66 0.252 10.593 -1.560 1.00 2.80 H new ATOM 0 HB2 ALA A 66 -0.566 9.217 -2.337 1.00 2.80 H new ATOM 0 HB3 ALA A 66 0.696 8.928 -1.116 1.00 2.80 H new ATOM 1108 N LYS A 67 3.473 9.234 -1.746 1.00 2.99 N ATOM 1109 CA LYS A 67 4.777 9.664 -1.167 1.00 3.28 C ATOM 1110 C LYS A 67 5.657 10.232 -2.280 1.00 3.32 C ATOM 1111 O LYS A 67 6.351 11.215 -2.100 1.00 3.61 O ATOM 1112 CB LYS A 67 5.477 8.464 -0.526 1.00 3.32 C ATOM 1113 CG LYS A 67 4.546 7.817 0.503 1.00 3.66 C ATOM 1114 CD LYS A 67 5.332 7.501 1.778 1.00 4.30 C ATOM 1115 CE LYS A 67 6.407 6.456 1.471 1.00 4.77 C ATOM 1116 NZ LYS A 67 7.590 6.689 2.348 1.00 4.75 N ATOM 0 H LYS A 67 3.200 8.274 -1.535 1.00 2.99 H new ATOM 0 HA LYS A 67 4.605 10.427 -0.408 1.00 3.28 H new ATOM 0 HB2 LYS A 67 5.750 7.738 -1.292 1.00 3.32 H new ATOM 0 HB3 LYS A 67 6.401 8.783 -0.045 1.00 3.32 H new ATOM 0 HG2 LYS A 67 3.717 8.487 0.731 1.00 3.66 H new ATOM 0 HG3 LYS A 67 4.114 6.904 0.094 1.00 3.66 H new ATOM 0 HD2 LYS A 67 5.793 8.409 2.168 1.00 4.30 H new ATOM 0 HD3 LYS A 67 4.658 7.129 2.550 1.00 4.30 H new ATOM 0 HE2 LYS A 67 6.012 5.453 1.634 1.00 4.77 H new ATOM 0 HE3 LYS A 67 6.700 6.517 0.423 1.00 4.77 H new ATOM 0 HZ1 LYS A 67 8.321 5.979 2.140 1.00 4.75 H new ATOM 0 HZ2 LYS A 67 7.971 7.641 2.172 1.00 4.75 H new ATOM 0 HZ3 LYS A 67 7.304 6.610 3.345 1.00 4.75 H new ATOM 1130 N ALA A 68 5.633 9.620 -3.430 1.00 3.10 N ATOM 1131 CA ALA A 68 6.465 10.118 -4.560 1.00 3.26 C ATOM 1132 C ALA A 68 6.109 11.578 -4.852 1.00 3.10 C ATOM 1133 O ALA A 68 6.654 12.192 -5.748 1.00 3.36 O ATOM 1134 CB ALA A 68 6.196 9.267 -5.803 1.00 3.78 C ATOM 0 H ALA A 68 5.072 8.794 -3.637 1.00 3.10 H new ATOM 0 HA ALA A 68 7.520 10.049 -4.294 1.00 3.26 H new ATOM 0 HB1 ALA A 68 6.804 9.630 -6.631 1.00 3.78 H new ATOM 0 HB2 ALA A 68 6.450 8.228 -5.594 1.00 3.78 H new ATOM 0 HB3 ALA A 68 5.141 9.336 -6.070 1.00 3.78 H new ATOM 1140 N ILE A 69 5.200 12.137 -4.102 1.00 3.01 N ATOM 1141 CA ILE A 69 4.811 13.557 -4.338 1.00 3.40 C ATOM 1142 C ILE A 69 6.071 14.402 -4.535 1.00 3.45 C ATOM 1143 O ILE A 69 6.004 15.554 -4.915 1.00 3.67 O ATOM 1144 CB ILE A 69 4.031 14.079 -3.131 1.00 3.93 C ATOM 1145 CG1 ILE A 69 3.474 15.470 -3.446 1.00 4.60 C ATOM 1146 CG2 ILE A 69 4.963 14.167 -1.921 1.00 4.21 C ATOM 1147 CD1 ILE A 69 2.041 15.576 -2.922 1.00 4.96 C ATOM 0 H ILE A 69 4.710 11.673 -3.337 1.00 3.01 H new ATOM 0 HA ILE A 69 4.186 13.621 -5.229 1.00 3.40 H new ATOM 0 HB ILE A 69 3.209 13.399 -2.909 1.00 3.93 H new ATOM 0 HG12 ILE A 69 4.098 16.236 -2.986 1.00 4.60 H new ATOM 0 HG13 ILE A 69 3.493 15.646 -4.521 1.00 4.60 H new ATOM 0 HG21 ILE A 69 4.407 14.539 -1.060 1.00 4.21 H new ATOM 0 HG22 ILE A 69 5.361 13.178 -1.696 1.00 4.21 H new ATOM 0 HG23 ILE A 69 5.785 14.847 -2.144 1.00 4.21 H new ATOM 0 HD11 ILE A 69 1.644 16.566 -3.146 1.00 4.96 H new ATOM 0 HD12 ILE A 69 1.421 14.819 -3.403 1.00 4.96 H new ATOM 0 HD13 ILE A 69 2.035 15.418 -1.843 1.00 4.96 H new ATOM 1159 N VAL A 70 7.220 13.839 -4.277 1.00 3.50 N ATOM 1160 CA VAL A 70 8.485 14.609 -4.447 1.00 3.87 C ATOM 1161 C VAL A 70 8.994 14.439 -5.881 1.00 3.71 C ATOM 1162 O VAL A 70 10.183 14.455 -6.133 1.00 3.92 O ATOM 1163 CB VAL A 70 9.535 14.087 -3.468 1.00 4.23 C ATOM 1164 CG1 VAL A 70 10.757 15.008 -3.488 1.00 4.45 C ATOM 1165 CG2 VAL A 70 8.945 14.058 -2.056 1.00 4.42 C ATOM 0 H VAL A 70 7.337 12.878 -3.956 1.00 3.50 H new ATOM 0 HA VAL A 70 8.299 15.665 -4.249 1.00 3.87 H new ATOM 0 HB VAL A 70 9.834 13.080 -3.760 1.00 4.23 H new ATOM 0 HG11 VAL A 70 11.505 14.635 -2.789 1.00 4.45 H new ATOM 0 HG12 VAL A 70 11.179 15.031 -4.493 1.00 4.45 H new ATOM 0 HG13 VAL A 70 10.459 16.015 -3.196 1.00 4.45 H new ATOM 0 HG21 VAL A 70 9.693 13.686 -1.357 1.00 4.42 H new ATOM 0 HG22 VAL A 70 8.646 15.065 -1.766 1.00 4.42 H new ATOM 0 HG23 VAL A 70 8.074 13.402 -2.039 1.00 4.42 H new ATOM 1175 N ALA A 71 8.103 14.276 -6.820 1.00 3.48 N ATOM 1176 CA ALA A 71 8.535 14.106 -8.236 1.00 3.53 C ATOM 1177 C ALA A 71 8.825 15.477 -8.846 1.00 3.53 C ATOM 1178 O ALA A 71 8.897 16.473 -8.154 1.00 3.57 O ATOM 1179 CB ALA A 71 7.419 13.420 -9.028 1.00 3.56 C ATOM 0 H ALA A 71 7.095 14.253 -6.668 1.00 3.48 H new ATOM 0 HA ALA A 71 9.436 13.494 -8.273 1.00 3.53 H new ATOM 0 HB1 ALA A 71 7.733 13.294 -10.064 1.00 3.56 H new ATOM 0 HB2 ALA A 71 7.210 12.443 -8.591 1.00 3.56 H new ATOM 0 HB3 ALA A 71 6.518 14.033 -8.993 1.00 3.56 H new ATOM 1185 N GLU A 72 8.993 15.539 -10.140 1.00 3.79 N ATOM 1186 CA GLU A 72 9.279 16.847 -10.789 1.00 3.91 C ATOM 1187 C GLU A 72 8.081 17.780 -10.604 1.00 4.04 C ATOM 1188 O GLU A 72 8.152 18.763 -9.894 1.00 4.17 O ATOM 1189 CB GLU A 72 9.535 16.631 -12.283 1.00 4.06 C ATOM 1190 CG GLU A 72 10.422 15.400 -12.475 1.00 4.60 C ATOM 1191 CD GLU A 72 9.579 14.241 -13.010 1.00 4.64 C ATOM 1192 OE1 GLU A 72 9.233 14.276 -14.179 1.00 4.83 O ATOM 1193 OE2 GLU A 72 9.293 13.338 -12.240 1.00 4.90 O ATOM 0 H GLU A 72 8.944 14.741 -10.773 1.00 3.79 H new ATOM 0 HA GLU A 72 10.161 17.295 -10.332 1.00 3.91 H new ATOM 0 HB2 GLU A 72 8.590 16.497 -12.809 1.00 4.06 H new ATOM 0 HB3 GLU A 72 10.017 17.510 -12.711 1.00 4.06 H new ATOM 0 HG2 GLU A 72 11.231 15.626 -13.170 1.00 4.60 H new ATOM 0 HG3 GLU A 72 10.884 15.121 -11.528 1.00 4.60 H new ATOM 1200 N GLU A 73 6.980 17.481 -11.236 1.00 4.43 N ATOM 1201 CA GLU A 73 5.779 18.351 -11.094 1.00 4.80 C ATOM 1202 C GLU A 73 4.562 17.646 -11.697 1.00 4.61 C ATOM 1203 O GLU A 73 3.489 18.210 -11.790 1.00 4.99 O ATOM 1204 CB GLU A 73 6.017 19.675 -11.825 1.00 5.65 C ATOM 1205 CG GLU A 73 5.882 19.460 -13.333 1.00 6.49 C ATOM 1206 CD GLU A 73 4.402 19.467 -13.720 1.00 6.57 C ATOM 1207 OE1 GLU A 73 3.763 20.488 -13.522 1.00 6.81 O ATOM 1208 OE2 GLU A 73 3.931 18.452 -14.208 1.00 6.70 O ATOM 0 H GLU A 73 6.860 16.672 -11.845 1.00 4.43 H new ATOM 0 HA GLU A 73 5.597 18.548 -10.037 1.00 4.80 H new ATOM 0 HB2 GLU A 73 5.298 20.422 -11.488 1.00 5.65 H new ATOM 0 HB3 GLU A 73 7.010 20.059 -11.590 1.00 5.65 H new ATOM 0 HG2 GLU A 73 6.413 20.245 -13.872 1.00 6.49 H new ATOM 0 HG3 GLU A 73 6.339 18.512 -13.618 1.00 6.49 H new ATOM 1215 N ARG A 74 4.719 16.417 -12.107 1.00 4.46 N ATOM 1216 CA ARG A 74 3.569 15.679 -12.702 1.00 4.65 C ATOM 1217 C ARG A 74 2.472 15.515 -11.650 1.00 4.37 C ATOM 1218 O ARG A 74 2.601 14.748 -10.717 1.00 4.34 O ATOM 1219 CB ARG A 74 4.035 14.299 -13.172 1.00 5.11 C ATOM 1220 CG ARG A 74 3.015 13.722 -14.155 1.00 5.87 C ATOM 1221 CD ARG A 74 3.360 12.262 -14.451 1.00 6.51 C ATOM 1222 NE ARG A 74 4.759 11.985 -14.017 1.00 7.03 N ATOM 1223 CZ ARG A 74 5.758 12.299 -14.797 1.00 7.49 C ATOM 1224 NH1 ARG A 74 5.532 12.854 -15.956 1.00 7.90 N ATOM 1225 NH2 ARG A 74 6.982 12.057 -14.416 1.00 7.79 N ATOM 0 H ARG A 74 5.592 15.893 -12.056 1.00 4.46 H new ATOM 0 HA ARG A 74 3.178 16.239 -13.552 1.00 4.65 H new ATOM 0 HB2 ARG A 74 5.012 14.377 -13.649 1.00 5.11 H new ATOM 0 HB3 ARG A 74 4.150 13.632 -12.318 1.00 5.11 H new ATOM 0 HG2 ARG A 74 2.011 13.792 -13.736 1.00 5.87 H new ATOM 0 HG3 ARG A 74 3.016 14.301 -15.078 1.00 5.87 H new ATOM 0 HD2 ARG A 74 2.668 11.601 -13.929 1.00 6.51 H new ATOM 0 HD3 ARG A 74 3.252 12.060 -15.517 1.00 6.51 H new ATOM 0 HE ARG A 74 4.936 11.550 -13.111 1.00 7.03 H new ATOM 0 HH11 ARG A 74 4.575 13.043 -16.253 1.00 7.90 H new ATOM 0 HH12 ARG A 74 6.313 13.099 -16.565 1.00 7.90 H new ATOM 0 HH21 ARG A 74 7.158 11.623 -13.510 1.00 7.79 H new ATOM 0 HH22 ARG A 74 7.763 12.302 -15.024 1.00 7.79 H new ATOM 1239 N LYS A 75 1.390 16.232 -11.791 1.00 4.45 N ATOM 1240 CA LYS A 75 0.287 16.118 -10.797 1.00 4.28 C ATOM 1241 C LYS A 75 -0.532 14.860 -11.084 1.00 3.94 C ATOM 1242 O LYS A 75 -0.407 14.249 -12.127 1.00 3.90 O ATOM 1243 CB LYS A 75 -0.618 17.348 -10.896 1.00 4.56 C ATOM 1244 CG LYS A 75 -1.833 17.162 -9.985 1.00 5.15 C ATOM 1245 CD LYS A 75 -2.529 18.508 -9.777 1.00 5.79 C ATOM 1246 CE LYS A 75 -4.001 18.272 -9.436 1.00 6.28 C ATOM 1247 NZ LYS A 75 -4.731 19.571 -9.452 1.00 7.07 N ATOM 0 H LYS A 75 1.223 16.891 -12.551 1.00 4.45 H new ATOM 0 HA LYS A 75 0.709 16.056 -9.794 1.00 4.28 H new ATOM 0 HB2 LYS A 75 -0.067 18.243 -10.607 1.00 4.56 H new ATOM 0 HB3 LYS A 75 -0.942 17.493 -11.927 1.00 4.56 H new ATOM 0 HG2 LYS A 75 -2.526 16.447 -10.428 1.00 5.15 H new ATOM 0 HG3 LYS A 75 -1.521 16.750 -9.025 1.00 5.15 H new ATOM 0 HD2 LYS A 75 -2.042 19.061 -8.974 1.00 5.79 H new ATOM 0 HD3 LYS A 75 -2.446 19.116 -10.678 1.00 5.79 H new ATOM 0 HE2 LYS A 75 -4.446 17.584 -10.155 1.00 6.28 H new ATOM 0 HE3 LYS A 75 -4.087 17.807 -8.454 1.00 6.28 H new ATOM 0 HZ1 LYS A 75 -5.732 19.410 -9.220 1.00 7.07 H new ATOM 0 HZ2 LYS A 75 -4.312 20.213 -8.750 1.00 7.07 H new ATOM 0 HZ3 LYS A 75 -4.659 19.998 -10.398 1.00 7.07 H new ATOM 1261 N ARG A 76 -1.374 14.467 -10.167 1.00 3.72 N ATOM 1262 CA ARG A 76 -2.202 13.249 -10.388 1.00 3.41 C ATOM 1263 C ARG A 76 -1.292 12.060 -10.698 1.00 3.14 C ATOM 1264 O ARG A 76 -0.752 11.945 -11.780 1.00 3.26 O ATOM 1265 CB ARG A 76 -3.149 13.483 -11.568 1.00 3.62 C ATOM 1266 CG ARG A 76 -4.456 14.093 -11.061 1.00 4.05 C ATOM 1267 CD ARG A 76 -5.016 15.047 -12.118 1.00 4.32 C ATOM 1268 NE ARG A 76 -6.423 15.396 -11.778 1.00 4.64 N ATOM 1269 CZ ARG A 76 -7.098 16.207 -12.546 1.00 5.15 C ATOM 1270 NH1 ARG A 76 -6.540 16.710 -13.613 1.00 5.47 N ATOM 1271 NH2 ARG A 76 -8.332 16.512 -12.247 1.00 5.64 N ATOM 0 H ARG A 76 -1.524 14.937 -9.274 1.00 3.72 H new ATOM 0 HA ARG A 76 -2.782 13.039 -9.489 1.00 3.41 H new ATOM 0 HB2 ARG A 76 -2.683 14.148 -12.295 1.00 3.62 H new ATOM 0 HB3 ARG A 76 -3.349 12.541 -12.079 1.00 3.62 H new ATOM 0 HG2 ARG A 76 -5.179 13.305 -10.847 1.00 4.05 H new ATOM 0 HG3 ARG A 76 -4.282 14.628 -10.128 1.00 4.05 H new ATOM 0 HD2 ARG A 76 -4.408 15.950 -12.166 1.00 4.32 H new ATOM 0 HD3 ARG A 76 -4.974 14.581 -13.102 1.00 4.32 H new ATOM 0 HE ARG A 76 -6.859 15.001 -10.945 1.00 4.64 H new ATOM 0 HH11 ARG A 76 -5.577 16.469 -13.846 1.00 5.47 H new ATOM 0 HH12 ARG A 76 -7.067 17.344 -14.214 1.00 5.47 H new ATOM 0 HH21 ARG A 76 -8.768 16.116 -11.414 1.00 5.64 H new ATOM 0 HH22 ARG A 76 -8.860 17.146 -12.847 1.00 5.64 H new ATOM 1285 N ILE A 77 -1.120 11.169 -9.759 1.00 2.82 N ATOM 1286 CA ILE A 77 -0.248 9.988 -10.011 1.00 2.60 C ATOM 1287 C ILE A 77 -1.044 8.931 -10.775 1.00 2.38 C ATOM 1288 O ILE A 77 -2.036 8.419 -10.294 1.00 2.16 O ATOM 1289 CB ILE A 77 0.231 9.408 -8.679 1.00 2.42 C ATOM 1290 CG1 ILE A 77 1.171 10.405 -7.997 1.00 2.69 C ATOM 1291 CG2 ILE A 77 0.977 8.095 -8.931 1.00 2.29 C ATOM 1292 CD1 ILE A 77 1.191 10.141 -6.492 1.00 2.61 C ATOM 0 H ILE A 77 -1.544 11.208 -8.832 1.00 2.82 H new ATOM 0 HA ILE A 77 0.617 10.291 -10.600 1.00 2.60 H new ATOM 0 HB ILE A 77 -0.629 9.219 -8.036 1.00 2.42 H new ATOM 0 HG12 ILE A 77 2.177 10.311 -8.407 1.00 2.69 H new ATOM 0 HG13 ILE A 77 0.841 11.425 -8.193 1.00 2.69 H new ATOM 0 HG21 ILE A 77 1.318 7.682 -7.982 1.00 2.29 H new ATOM 0 HG22 ILE A 77 0.308 7.384 -9.416 1.00 2.29 H new ATOM 0 HG23 ILE A 77 1.836 8.283 -9.575 1.00 2.29 H new ATOM 0 HD11 ILE A 77 1.861 10.851 -6.007 1.00 2.61 H new ATOM 0 HD12 ILE A 77 0.185 10.257 -6.089 1.00 2.61 H new ATOM 0 HD13 ILE A 77 1.542 9.126 -6.305 1.00 2.61 H new ATOM 1304 N THR A 78 -0.621 8.602 -11.963 1.00 2.47 N ATOM 1305 CA THR A 78 -1.359 7.582 -12.758 1.00 2.34 C ATOM 1306 C THR A 78 -0.840 6.186 -12.408 1.00 2.12 C ATOM 1307 O THR A 78 0.335 5.902 -12.527 1.00 2.22 O ATOM 1308 CB THR A 78 -1.149 7.848 -14.251 1.00 2.63 C ATOM 1309 OG1 THR A 78 -0.325 8.995 -14.414 1.00 2.88 O ATOM 1310 CG2 THR A 78 -2.499 8.089 -14.927 1.00 2.62 C ATOM 0 H THR A 78 0.203 8.995 -12.418 1.00 2.47 H new ATOM 0 HA THR A 78 -2.422 7.641 -12.526 1.00 2.34 H new ATOM 0 HB THR A 78 -0.667 6.984 -14.708 1.00 2.63 H new ATOM 0 HG1 THR A 78 -0.188 9.166 -15.369 1.00 2.88 H new ATOM 0 HG21 THR A 78 -2.345 8.278 -15.989 1.00 2.62 H new ATOM 0 HG22 THR A 78 -3.130 7.209 -14.803 1.00 2.62 H new ATOM 0 HG23 THR A 78 -2.985 8.952 -14.472 1.00 2.62 H new ATOM 1318 N VAL A 79 -1.709 5.312 -11.980 1.00 1.90 N ATOM 1319 CA VAL A 79 -1.265 3.935 -11.628 1.00 1.80 C ATOM 1320 C VAL A 79 -1.842 2.942 -12.636 1.00 1.92 C ATOM 1321 O VAL A 79 -2.651 2.100 -12.301 1.00 2.02 O ATOM 1322 CB VAL A 79 -1.756 3.579 -10.224 1.00 1.52 C ATOM 1323 CG1 VAL A 79 -1.178 2.224 -9.810 1.00 1.57 C ATOM 1324 CG2 VAL A 79 -1.295 4.653 -9.235 1.00 1.48 C ATOM 0 H VAL A 79 -2.706 5.492 -11.859 1.00 1.90 H new ATOM 0 HA VAL A 79 -0.176 3.889 -11.652 1.00 1.80 H new ATOM 0 HB VAL A 79 -2.845 3.526 -10.222 1.00 1.52 H new ATOM 0 HG11 VAL A 79 -1.528 1.970 -8.809 1.00 1.57 H new ATOM 0 HG12 VAL A 79 -1.505 1.459 -10.514 1.00 1.57 H new ATOM 0 HG13 VAL A 79 -0.089 2.277 -9.811 1.00 1.57 H new ATOM 0 HG21 VAL A 79 -1.645 4.400 -8.234 1.00 1.48 H new ATOM 0 HG22 VAL A 79 -0.206 4.706 -9.237 1.00 1.48 H new ATOM 0 HG23 VAL A 79 -1.706 5.619 -9.529 1.00 1.48 H new ATOM 1334 N THR A 80 -1.428 3.034 -13.868 1.00 2.06 N ATOM 1335 CA THR A 80 -1.949 2.096 -14.900 1.00 2.25 C ATOM 1336 C THR A 80 -1.474 0.678 -14.579 1.00 2.32 C ATOM 1337 O THR A 80 -0.951 0.416 -13.514 1.00 2.34 O ATOM 1338 CB THR A 80 -1.421 2.508 -16.278 1.00 2.63 C ATOM 1339 OG1 THR A 80 -0.122 1.965 -16.467 1.00 3.10 O ATOM 1340 CG2 THR A 80 -1.354 4.034 -16.368 1.00 2.86 C ATOM 0 H THR A 80 -0.751 3.718 -14.205 1.00 2.06 H new ATOM 0 HA THR A 80 -3.039 2.126 -14.904 1.00 2.25 H new ATOM 0 HB THR A 80 -2.091 2.130 -17.050 1.00 2.63 H new ATOM 0 HG1 THR A 80 0.217 2.226 -17.349 1.00 3.10 H new ATOM 0 HG21 THR A 80 -0.978 4.324 -17.349 1.00 2.86 H new ATOM 0 HG22 THR A 80 -2.351 4.451 -16.223 1.00 2.86 H new ATOM 0 HG23 THR A 80 -0.685 4.415 -15.596 1.00 2.86 H new ATOM 1348 N GLU A 81 -1.647 -0.240 -15.489 1.00 2.59 N ATOM 1349 CA GLU A 81 -1.197 -1.634 -15.229 1.00 2.77 C ATOM 1350 C GLU A 81 0.331 -1.679 -15.259 1.00 3.01 C ATOM 1351 O GLU A 81 0.951 -2.535 -14.660 1.00 3.23 O ATOM 1352 CB GLU A 81 -1.757 -2.564 -16.306 1.00 3.07 C ATOM 1353 CG GLU A 81 -1.101 -2.242 -17.650 1.00 3.28 C ATOM 1354 CD GLU A 81 0.069 -3.198 -17.892 1.00 3.03 C ATOM 1355 OE1 GLU A 81 -0.173 -4.284 -18.391 1.00 3.36 O ATOM 1356 OE2 GLU A 81 1.186 -2.828 -17.573 1.00 3.08 O ATOM 0 H GLU A 81 -2.080 -0.085 -16.399 1.00 2.59 H new ATOM 0 HA GLU A 81 -1.556 -1.959 -14.253 1.00 2.77 H new ATOM 0 HB2 GLU A 81 -1.569 -3.604 -16.037 1.00 3.07 H new ATOM 0 HB3 GLU A 81 -2.838 -2.444 -16.379 1.00 3.07 H new ATOM 0 HG2 GLU A 81 -1.831 -2.334 -18.454 1.00 3.28 H new ATOM 0 HG3 GLU A 81 -0.748 -1.211 -17.656 1.00 3.28 H new ATOM 1363 N LYS A 82 0.942 -0.755 -15.950 1.00 3.05 N ATOM 1364 CA LYS A 82 2.430 -0.736 -16.017 1.00 3.31 C ATOM 1365 C LYS A 82 2.982 -0.127 -14.729 1.00 3.05 C ATOM 1366 O LYS A 82 3.652 -0.784 -13.958 1.00 3.10 O ATOM 1367 CB LYS A 82 2.879 0.104 -17.215 1.00 3.60 C ATOM 1368 CG LYS A 82 3.130 -0.813 -18.414 1.00 4.14 C ATOM 1369 CD LYS A 82 3.735 -0.004 -19.565 1.00 4.79 C ATOM 1370 CE LYS A 82 4.639 -0.908 -20.405 1.00 5.42 C ATOM 1371 NZ LYS A 82 5.313 -0.098 -21.459 1.00 5.40 N ATOM 0 H LYS A 82 0.474 -0.013 -16.471 1.00 3.05 H new ATOM 0 HA LYS A 82 2.805 -1.753 -16.131 1.00 3.31 H new ATOM 0 HB2 LYS A 82 2.116 0.843 -17.462 1.00 3.60 H new ATOM 0 HB3 LYS A 82 3.787 0.654 -16.968 1.00 3.60 H new ATOM 0 HG2 LYS A 82 3.804 -1.621 -18.131 1.00 4.14 H new ATOM 0 HG3 LYS A 82 2.195 -1.275 -18.733 1.00 4.14 H new ATOM 0 HD2 LYS A 82 2.942 0.413 -20.186 1.00 4.79 H new ATOM 0 HD3 LYS A 82 4.307 0.836 -19.172 1.00 4.79 H new ATOM 0 HE2 LYS A 82 5.383 -1.388 -19.769 1.00 5.42 H new ATOM 0 HE3 LYS A 82 4.051 -1.703 -20.863 1.00 5.42 H new ATOM 0 HZ1 LYS A 82 5.927 -0.713 -22.030 1.00 5.40 H new ATOM 0 HZ2 LYS A 82 4.596 0.340 -22.072 1.00 5.40 H new ATOM 0 HZ3 LYS A 82 5.887 0.645 -21.012 1.00 5.40 H new ATOM 1385 N ASN A 83 2.697 1.121 -14.483 1.00 2.84 N ATOM 1386 CA ASN A 83 3.198 1.766 -13.239 1.00 2.63 C ATOM 1387 C ASN A 83 2.954 0.826 -12.057 1.00 2.51 C ATOM 1388 O ASN A 83 3.774 0.700 -11.169 1.00 2.53 O ATOM 1389 CB ASN A 83 2.450 3.080 -13.010 1.00 2.37 C ATOM 1390 CG ASN A 83 3.442 4.170 -12.593 1.00 2.55 C ATOM 1391 OD1 ASN A 83 4.587 3.887 -12.305 1.00 3.11 O ATOM 1392 ND2 ASN A 83 3.046 5.413 -12.550 1.00 2.74 N ATOM 0 H ASN A 83 2.139 1.722 -15.090 1.00 2.84 H new ATOM 0 HA ASN A 83 4.265 1.970 -13.333 1.00 2.63 H new ATOM 0 HB2 ASN A 83 1.929 3.377 -13.920 1.00 2.37 H new ATOM 0 HB3 ASN A 83 1.692 2.949 -12.238 1.00 2.37 H new ATOM 0 HD21 ASN A 83 3.699 6.147 -12.274 1.00 2.74 H new ATOM 0 HD22 ASN A 83 2.084 5.650 -12.792 1.00 2.74 H new ATOM 1399 N LEU A 84 1.828 0.163 -12.042 1.00 2.44 N ATOM 1400 CA LEU A 84 1.524 -0.771 -10.920 1.00 2.42 C ATOM 1401 C LEU A 84 2.788 -1.546 -10.545 1.00 2.72 C ATOM 1402 O LEU A 84 3.077 -1.757 -9.384 1.00 2.70 O ATOM 1403 CB LEU A 84 0.432 -1.750 -11.358 1.00 2.52 C ATOM 1404 CG LEU A 84 0.090 -2.692 -10.199 1.00 2.66 C ATOM 1405 CD1 LEU A 84 -1.261 -3.361 -10.465 1.00 2.81 C ATOM 1406 CD2 LEU A 84 1.175 -3.766 -10.066 1.00 3.13 C ATOM 0 H LEU A 84 1.106 0.228 -12.759 1.00 2.44 H new ATOM 0 HA LEU A 84 1.179 -0.204 -10.055 1.00 2.42 H new ATOM 0 HB2 LEU A 84 -0.458 -1.202 -11.669 1.00 2.52 H new ATOM 0 HB3 LEU A 84 0.770 -2.325 -12.220 1.00 2.52 H new ATOM 0 HG LEU A 84 0.037 -2.118 -9.274 1.00 2.66 H new ATOM 0 HD11 LEU A 84 -1.504 -4.031 -9.640 1.00 2.81 H new ATOM 0 HD12 LEU A 84 -2.034 -2.598 -10.552 1.00 2.81 H new ATOM 0 HD13 LEU A 84 -1.208 -3.931 -11.392 1.00 2.81 H new ATOM 0 HD21 LEU A 84 0.927 -4.433 -9.241 1.00 3.13 H new ATOM 0 HD22 LEU A 84 1.234 -4.340 -10.991 1.00 3.13 H new ATOM 0 HD23 LEU A 84 2.136 -3.290 -9.872 1.00 3.13 H new ATOM 1418 N GLN A 85 3.546 -1.972 -11.518 1.00 3.06 N ATOM 1419 CA GLN A 85 4.790 -2.732 -11.214 1.00 3.38 C ATOM 1420 C GLN A 85 5.827 -1.788 -10.602 1.00 3.29 C ATOM 1421 O GLN A 85 6.400 -2.067 -9.568 1.00 3.40 O ATOM 1422 CB GLN A 85 5.349 -3.338 -12.503 1.00 3.75 C ATOM 1423 CG GLN A 85 6.717 -3.959 -12.219 1.00 4.06 C ATOM 1424 CD GLN A 85 6.959 -5.132 -13.173 1.00 4.58 C ATOM 1425 OE1 GLN A 85 7.983 -5.198 -13.822 1.00 4.90 O ATOM 1426 NE2 GLN A 85 6.052 -6.063 -13.286 1.00 5.02 N ATOM 0 H GLN A 85 3.357 -1.826 -12.510 1.00 3.06 H new ATOM 0 HA GLN A 85 4.563 -3.531 -10.508 1.00 3.38 H new ATOM 0 HB2 GLN A 85 4.666 -4.095 -12.888 1.00 3.75 H new ATOM 0 HB3 GLN A 85 5.438 -2.569 -13.271 1.00 3.75 H new ATOM 0 HG2 GLN A 85 7.500 -3.210 -12.342 1.00 4.06 H new ATOM 0 HG3 GLN A 85 6.764 -4.302 -11.186 1.00 4.06 H new ATOM 0 HE21 GLN A 85 5.192 -6.006 -12.740 1.00 5.02 H new ATOM 0 HE22 GLN A 85 6.203 -6.848 -13.920 1.00 5.02 H new ATOM 1435 N ASP A 86 6.077 -0.672 -11.232 1.00 3.15 N ATOM 1436 CA ASP A 86 7.079 0.284 -10.683 1.00 3.14 C ATOM 1437 C ASP A 86 6.777 0.548 -9.208 1.00 2.91 C ATOM 1438 O ASP A 86 7.665 0.583 -8.380 1.00 3.01 O ATOM 1439 CB ASP A 86 7.013 1.600 -11.463 1.00 3.08 C ATOM 1440 CG ASP A 86 7.582 1.390 -12.868 1.00 3.18 C ATOM 1441 OD1 ASP A 86 7.060 0.544 -13.576 1.00 3.54 O ATOM 1442 OD2 ASP A 86 8.529 2.078 -13.212 1.00 3.37 O ATOM 0 H ASP A 86 5.631 -0.382 -12.102 1.00 3.15 H new ATOM 0 HA ASP A 86 8.077 -0.143 -10.778 1.00 3.14 H new ATOM 0 HB2 ASP A 86 5.982 1.947 -11.525 1.00 3.08 H new ATOM 0 HB3 ASP A 86 7.578 2.373 -10.942 1.00 3.08 H new ATOM 1447 N PHE A 87 5.529 0.734 -8.871 1.00 2.63 N ATOM 1448 CA PHE A 87 5.171 0.994 -7.447 1.00 2.44 C ATOM 1449 C PHE A 87 5.373 -0.284 -6.630 1.00 2.61 C ATOM 1450 O PHE A 87 6.167 -0.326 -5.711 1.00 2.75 O ATOM 1451 CB PHE A 87 3.705 1.425 -7.358 1.00 2.11 C ATOM 1452 CG PHE A 87 3.542 2.805 -7.952 1.00 2.01 C ATOM 1453 CD1 PHE A 87 4.160 3.906 -7.345 1.00 1.93 C ATOM 1454 CD2 PHE A 87 2.772 2.984 -9.108 1.00 2.08 C ATOM 1455 CE1 PHE A 87 4.009 5.184 -7.895 1.00 1.94 C ATOM 1456 CE2 PHE A 87 2.621 4.262 -9.657 1.00 2.12 C ATOM 1457 CZ PHE A 87 3.240 5.363 -9.051 1.00 2.05 C ATOM 0 H PHE A 87 4.742 0.717 -9.520 1.00 2.63 H new ATOM 0 HA PHE A 87 5.808 1.786 -7.052 1.00 2.44 H new ATOM 0 HB2 PHE A 87 3.074 0.713 -7.890 1.00 2.11 H new ATOM 0 HB3 PHE A 87 3.379 1.426 -6.318 1.00 2.11 H new ATOM 0 HD1 PHE A 87 4.753 3.769 -6.453 1.00 1.93 H new ATOM 0 HD2 PHE A 87 2.295 2.136 -9.576 1.00 2.08 H new ATOM 0 HE1 PHE A 87 4.486 6.033 -7.427 1.00 1.94 H new ATOM 0 HE2 PHE A 87 2.027 4.400 -10.548 1.00 2.12 H new ATOM 0 HZ PHE A 87 3.124 6.349 -9.475 1.00 2.05 H new ATOM 1467 N ILE A 88 4.656 -1.325 -6.956 1.00 2.65 N ATOM 1468 CA ILE A 88 4.802 -2.598 -6.196 1.00 2.89 C ATOM 1469 C ILE A 88 6.245 -3.100 -6.312 1.00 3.25 C ATOM 1470 O ILE A 88 6.890 -3.393 -5.325 1.00 3.41 O ATOM 1471 CB ILE A 88 3.825 -3.637 -6.762 1.00 2.88 C ATOM 1472 CG1 ILE A 88 2.675 -3.839 -5.773 1.00 2.63 C ATOM 1473 CG2 ILE A 88 4.533 -4.978 -6.992 1.00 3.34 C ATOM 1474 CD1 ILE A 88 1.580 -4.688 -6.423 1.00 2.58 C ATOM 0 H ILE A 88 3.976 -1.348 -7.716 1.00 2.65 H new ATOM 0 HA ILE A 88 4.574 -2.432 -5.143 1.00 2.89 H new ATOM 0 HB ILE A 88 3.443 -3.274 -7.716 1.00 2.88 H new ATOM 0 HG12 ILE A 88 3.040 -4.328 -4.870 1.00 2.63 H new ATOM 0 HG13 ILE A 88 2.269 -2.874 -5.470 1.00 2.63 H new ATOM 0 HG21 ILE A 88 3.822 -5.700 -7.393 1.00 3.34 H new ATOM 0 HG22 ILE A 88 5.350 -4.841 -7.700 1.00 3.34 H new ATOM 0 HG23 ILE A 88 4.930 -5.347 -6.046 1.00 3.34 H new ATOM 0 HD11 ILE A 88 0.762 -4.830 -5.716 1.00 2.58 H new ATOM 0 HD12 ILE A 88 1.207 -4.181 -7.313 1.00 2.58 H new ATOM 0 HD13 ILE A 88 1.990 -5.658 -6.703 1.00 2.58 H new ATOM 1486 N GLY A 89 6.756 -3.205 -7.508 1.00 3.42 N ATOM 1487 CA GLY A 89 8.154 -3.690 -7.680 1.00 3.80 C ATOM 1488 C GLY A 89 8.267 -5.113 -7.130 1.00 4.04 C ATOM 1489 O GLY A 89 8.145 -5.342 -5.944 1.00 4.52 O ATOM 0 H GLY A 89 6.266 -2.976 -8.373 1.00 3.42 H new ATOM 0 HA2 GLY A 89 8.430 -3.672 -8.734 1.00 3.80 H new ATOM 0 HA3 GLY A 89 8.847 -3.030 -7.158 1.00 3.80 H new ATOM 1493 N LYS A 90 8.494 -6.071 -7.985 1.00 4.03 N ATOM 1494 CA LYS A 90 8.610 -7.480 -7.512 1.00 4.29 C ATOM 1495 C LYS A 90 7.209 -8.060 -7.300 1.00 4.23 C ATOM 1496 O LYS A 90 6.253 -7.338 -7.105 1.00 3.95 O ATOM 1497 CB LYS A 90 9.381 -7.514 -6.192 1.00 4.41 C ATOM 1498 CG LYS A 90 10.193 -8.808 -6.109 1.00 4.72 C ATOM 1499 CD LYS A 90 11.014 -8.817 -4.818 1.00 5.03 C ATOM 1500 CE LYS A 90 11.942 -10.032 -4.812 1.00 5.34 C ATOM 1501 NZ LYS A 90 11.159 -11.257 -5.141 1.00 5.60 N ATOM 0 H LYS A 90 8.604 -5.940 -8.991 1.00 4.03 H new ATOM 0 HA LYS A 90 9.142 -8.072 -8.257 1.00 4.29 H new ATOM 0 HB2 LYS A 90 10.044 -6.651 -6.123 1.00 4.41 H new ATOM 0 HB3 LYS A 90 8.689 -7.452 -5.352 1.00 4.41 H new ATOM 0 HG2 LYS A 90 9.526 -9.670 -6.134 1.00 4.72 H new ATOM 0 HG3 LYS A 90 10.853 -8.891 -6.972 1.00 4.72 H new ATOM 0 HD2 LYS A 90 11.598 -7.900 -4.739 1.00 5.03 H new ATOM 0 HD3 LYS A 90 10.351 -8.848 -3.953 1.00 5.03 H new ATOM 0 HE2 LYS A 90 12.744 -9.894 -5.537 1.00 5.34 H new ATOM 0 HE3 LYS A 90 12.412 -10.139 -3.834 1.00 5.34 H new ATOM 0 HZ1 LYS A 90 11.669 -12.097 -4.801 1.00 5.60 H new ATOM 0 HZ2 LYS A 90 10.228 -11.208 -4.681 1.00 5.60 H new ATOM 0 HZ3 LYS A 90 11.033 -11.322 -6.171 1.00 5.60 H new ATOM 1515 N ARG A 91 7.081 -9.358 -7.338 1.00 4.63 N ATOM 1516 CA ARG A 91 5.740 -9.977 -7.139 1.00 4.68 C ATOM 1517 C ARG A 91 5.888 -11.282 -6.354 1.00 5.04 C ATOM 1518 O ARG A 91 6.916 -11.550 -5.762 1.00 5.32 O ATOM 1519 CB ARG A 91 5.111 -10.275 -8.503 1.00 4.80 C ATOM 1520 CG ARG A 91 4.746 -8.961 -9.197 1.00 5.22 C ATOM 1521 CD ARG A 91 4.186 -9.259 -10.589 1.00 5.46 C ATOM 1522 NE ARG A 91 4.198 -10.729 -10.825 1.00 5.82 N ATOM 1523 CZ ARG A 91 4.297 -11.195 -12.041 1.00 6.14 C ATOM 1524 NH1 ARG A 91 4.382 -10.371 -13.050 1.00 6.58 N ATOM 1525 NH2 ARG A 91 4.309 -12.483 -12.246 1.00 6.22 N ATOM 0 H ARG A 91 7.845 -10.015 -7.498 1.00 4.63 H new ATOM 0 HA ARG A 91 5.103 -9.289 -6.583 1.00 4.68 H new ATOM 0 HB2 ARG A 91 5.808 -10.843 -9.120 1.00 4.80 H new ATOM 0 HB3 ARG A 91 4.221 -10.891 -8.378 1.00 4.80 H new ATOM 0 HG2 ARG A 91 4.009 -8.417 -8.606 1.00 5.22 H new ATOM 0 HG3 ARG A 91 5.626 -8.322 -9.276 1.00 5.22 H new ATOM 0 HD2 ARG A 91 3.170 -8.875 -10.674 1.00 5.46 H new ATOM 0 HD3 ARG A 91 4.782 -8.753 -11.348 1.00 5.46 H new ATOM 0 HE ARG A 91 4.129 -11.372 -10.037 1.00 5.82 H new ATOM 0 HH11 ARG A 91 4.371 -9.364 -12.888 1.00 6.58 H new ATOM 0 HH12 ARG A 91 4.459 -10.734 -14.000 1.00 6.58 H new ATOM 0 HH21 ARG A 91 4.241 -13.126 -11.457 1.00 6.22 H new ATOM 0 HH22 ARG A 91 4.386 -12.848 -13.195 1.00 6.22 H new ATOM 1539 N ILE A 92 4.869 -12.097 -6.348 1.00 5.07 N ATOM 1540 CA ILE A 92 4.946 -13.385 -5.605 1.00 5.44 C ATOM 1541 C ILE A 92 4.803 -14.546 -6.592 1.00 5.67 C ATOM 1542 O ILE A 92 5.694 -15.360 -6.742 1.00 5.98 O ATOM 1543 CB ILE A 92 3.818 -13.449 -4.575 1.00 5.38 C ATOM 1544 CG1 ILE A 92 3.624 -12.066 -3.948 1.00 5.20 C ATOM 1545 CG2 ILE A 92 4.179 -14.455 -3.481 1.00 5.76 C ATOM 1546 CD1 ILE A 92 2.684 -12.179 -2.745 1.00 5.34 C ATOM 0 H ILE A 92 3.985 -11.925 -6.827 1.00 5.07 H new ATOM 0 HA ILE A 92 5.906 -13.455 -5.094 1.00 5.44 H new ATOM 0 HB ILE A 92 2.896 -13.762 -5.066 1.00 5.38 H new ATOM 0 HG12 ILE A 92 4.585 -11.659 -3.635 1.00 5.20 H new ATOM 0 HG13 ILE A 92 3.210 -11.376 -4.683 1.00 5.20 H new ATOM 0 HG21 ILE A 92 3.374 -14.499 -2.748 1.00 5.76 H new ATOM 0 HG22 ILE A 92 4.320 -15.440 -3.925 1.00 5.76 H new ATOM 0 HG23 ILE A 92 5.101 -14.143 -2.990 1.00 5.76 H new ATOM 0 HD11 ILE A 92 2.545 -11.195 -2.298 1.00 5.34 H new ATOM 0 HD12 ILE A 92 1.720 -12.568 -3.072 1.00 5.34 H new ATOM 0 HD13 ILE A 92 3.117 -12.855 -2.007 1.00 5.34 H new ATOM 1558 N PHE A 93 3.691 -14.627 -7.271 1.00 5.53 N ATOM 1559 CA PHE A 93 3.494 -15.732 -8.251 1.00 5.78 C ATOM 1560 C PHE A 93 4.115 -15.335 -9.591 1.00 5.79 C ATOM 1561 O PHE A 93 3.719 -14.365 -10.207 1.00 5.65 O ATOM 1562 CB PHE A 93 1.997 -15.987 -8.440 1.00 5.63 C ATOM 1563 CG PHE A 93 1.283 -15.838 -7.116 1.00 5.57 C ATOM 1564 CD1 PHE A 93 1.947 -16.144 -5.921 1.00 5.43 C ATOM 1565 CD2 PHE A 93 -0.044 -15.393 -7.084 1.00 5.79 C ATOM 1566 CE1 PHE A 93 1.282 -16.005 -4.696 1.00 5.41 C ATOM 1567 CE2 PHE A 93 -0.707 -15.254 -5.859 1.00 5.79 C ATOM 1568 CZ PHE A 93 -0.044 -15.561 -4.665 1.00 5.55 C ATOM 0 H PHE A 93 2.911 -13.975 -7.189 1.00 5.53 H new ATOM 0 HA PHE A 93 3.972 -16.638 -7.880 1.00 5.78 H new ATOM 0 HB2 PHE A 93 1.588 -15.284 -9.166 1.00 5.63 H new ATOM 0 HB3 PHE A 93 1.837 -16.988 -8.840 1.00 5.63 H new ATOM 0 HD1 PHE A 93 2.971 -16.487 -5.944 1.00 5.43 H new ATOM 0 HD2 PHE A 93 -0.556 -15.157 -8.005 1.00 5.79 H new ATOM 0 HE1 PHE A 93 1.794 -16.241 -3.775 1.00 5.41 H new ATOM 0 HE2 PHE A 93 -1.730 -14.910 -5.835 1.00 5.79 H new ATOM 0 HZ PHE A 93 -0.556 -15.455 -3.720 1.00 5.55 H new ATOM 1578 N ARG A 94 5.089 -16.073 -10.046 1.00 6.01 N ATOM 1579 CA ARG A 94 5.737 -15.733 -11.345 1.00 6.08 C ATOM 1580 C ARG A 94 5.044 -16.496 -12.477 1.00 6.28 C ATOM 1581 O ARG A 94 5.379 -17.625 -12.773 1.00 6.56 O ATOM 1582 CB ARG A 94 7.215 -16.124 -11.290 1.00 6.28 C ATOM 1583 CG ARG A 94 7.784 -15.765 -9.915 1.00 6.80 C ATOM 1584 CD ARG A 94 9.227 -16.259 -9.814 1.00 7.11 C ATOM 1585 NE ARG A 94 9.445 -16.887 -8.480 1.00 7.15 N ATOM 1586 CZ ARG A 94 10.657 -17.059 -8.031 1.00 7.61 C ATOM 1587 NH1 ARG A 94 11.678 -16.680 -8.751 1.00 7.85 N ATOM 1588 NH2 ARG A 94 10.850 -17.611 -6.864 1.00 8.04 N ATOM 0 H ARG A 94 5.465 -16.896 -9.575 1.00 6.01 H new ATOM 0 HA ARG A 94 5.651 -14.662 -11.528 1.00 6.08 H new ATOM 0 HB2 ARG A 94 7.327 -17.192 -11.475 1.00 6.28 H new ATOM 0 HB3 ARG A 94 7.769 -15.605 -12.072 1.00 6.28 H new ATOM 0 HG2 ARG A 94 7.747 -14.686 -9.765 1.00 6.80 H new ATOM 0 HG3 ARG A 94 7.178 -16.217 -9.130 1.00 6.80 H new ATOM 0 HD2 ARG A 94 9.432 -16.980 -10.605 1.00 7.11 H new ATOM 0 HD3 ARG A 94 9.918 -15.428 -9.954 1.00 7.11 H new ATOM 0 HE ARG A 94 8.646 -17.182 -7.918 1.00 7.15 H new ATOM 0 HH11 ARG A 94 11.527 -16.250 -9.663 1.00 7.85 H new ATOM 0 HH12 ARG A 94 12.627 -16.814 -8.401 1.00 7.85 H new ATOM 0 HH21 ARG A 94 10.052 -17.908 -6.302 1.00 8.04 H new ATOM 0 HH22 ARG A 94 11.799 -17.745 -6.514 1.00 8.04 H new ATOM 1602 N TYR A 95 4.082 -15.884 -13.113 1.00 6.19 N ATOM 1603 CA TYR A 95 3.368 -16.571 -14.226 1.00 6.43 C ATOM 1604 C TYR A 95 3.011 -17.997 -13.799 1.00 6.59 C ATOM 1605 O TYR A 95 3.822 -18.898 -13.873 1.00 7.00 O ATOM 1606 CB TYR A 95 4.273 -16.620 -15.458 1.00 6.62 C ATOM 1607 CG TYR A 95 4.327 -15.255 -16.101 1.00 6.83 C ATOM 1608 CD1 TYR A 95 3.154 -14.659 -16.580 1.00 7.22 C ATOM 1609 CD2 TYR A 95 5.551 -14.584 -16.217 1.00 6.93 C ATOM 1610 CE1 TYR A 95 3.205 -13.393 -17.177 1.00 7.74 C ATOM 1611 CE2 TYR A 95 5.601 -13.319 -16.815 1.00 7.46 C ATOM 1612 CZ TYR A 95 4.430 -12.722 -17.294 1.00 7.87 C ATOM 1613 OH TYR A 95 4.480 -11.475 -17.883 1.00 8.63 O ATOM 0 H TYR A 95 3.760 -14.938 -12.910 1.00 6.19 H new ATOM 0 HA TYR A 95 2.456 -16.024 -14.466 1.00 6.43 H new ATOM 0 HB2 TYR A 95 5.276 -16.939 -15.173 1.00 6.62 H new ATOM 0 HB3 TYR A 95 3.896 -17.354 -16.170 1.00 6.62 H new ATOM 0 HD1 TYR A 95 2.210 -15.176 -16.489 1.00 7.22 H new ATOM 0 HD2 TYR A 95 6.456 -15.042 -15.845 1.00 6.93 H new ATOM 0 HE1 TYR A 95 2.300 -12.934 -17.547 1.00 7.74 H new ATOM 0 HE2 TYR A 95 6.545 -12.803 -16.907 1.00 7.46 H new ATOM 0 HH TYR A 95 5.405 -11.150 -17.883 1.00 8.63 H new TER 1623 TYR A 95