USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 594 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 109 LYS NZ :NH3+ -166:sc= 2.32 (180deg=1.15) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.69 K(o=5,f=-3.7) USER MOD Set 2.1: A 77 SER OG : rot 32:sc= 0.0984 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.473 X(o=0.57,f=0.17) USER MOD Set 3.1: A 55 SER OG : rot 21:sc= 0.277 USER MOD Set 3.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.12) USER MOD Single : A 64 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.5!) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00542) USER MOD Single : A 66 GLN : amide:sc= 0.552 K(o=0.55,f=-4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 71 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.9!) USER MOD Single : A 79 HIS : no HD1:sc= -7.75! X(o=-7.8!,f=-7.4) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -151:sc= -0.157 (180deg=-0.663) USER MOD Single : A 84 LYS NZ :NH3+ 148:sc= 1.28 (180deg=-0.00932) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.095) USER MOD Single : A 92 GLN : amide:sc= 0.156 X(o=0.16,f=-0.089) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0147 USER MOD Single : A 96 CYS SG : rot 110:sc= 0.645 USER MOD Single : A 103 HIS : +bothHN:sc= 2.04 K(o=2,f=-9.9!) USER MOD Single : A 105 HIS : no HE2:sc= -4.84! C(o=-4.8!,f=-5.3!) USER MOD Single : A 106 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.381) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -160:sc= 0.189 USER MOD Single : A 120 SER OG : rot -27:sc= 0.314 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.843 7.788 2.953 1.00 0.00 N ATOM 2 CA SER A 55 -12.657 7.277 1.592 1.00 0.00 C ATOM 3 C SER A 55 -12.788 5.785 1.576 1.00 0.00 C ATOM 4 O SER A 55 -13.204 5.167 2.555 1.00 0.00 O ATOM 5 CB SER A 55 -11.263 7.654 1.060 1.00 0.00 C ATOM 6 OG SER A 55 -11.234 7.556 -0.359 1.00 0.00 O ATOM 0 HA SER A 55 -13.423 7.723 0.958 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.011 8.669 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.510 6.995 1.493 1.00 0.00 H new ATOM 0 HG SER A 55 -12.148 7.601 -0.709 1.00 0.00 H new ATOM 11 N ASN A 56 -12.436 5.178 0.430 1.00 0.00 N ATOM 12 CA ASN A 56 -12.474 3.754 0.300 1.00 0.00 C ATOM 13 C ASN A 56 -11.479 3.402 -0.768 1.00 0.00 C ATOM 14 O ASN A 56 -11.404 2.266 -1.239 1.00 0.00 O ATOM 15 CB ASN A 56 -13.887 3.263 -0.067 1.00 0.00 C ATOM 16 CG ASN A 56 -13.926 1.743 0.015 1.00 0.00 C ATOM 17 OD1 ASN A 56 -14.153 1.061 -0.987 1.00 0.00 O ATOM 18 ND2 ASN A 56 -13.768 1.195 1.240 1.00 0.00 N ATOM 0 H ASN A 56 -12.125 5.672 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.223 3.268 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.623 3.695 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.149 3.592 -1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.835 0.184 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.581 1.792 2.046 1.00 0.00 H new ATOM 25 N THR A 57 -10.612 4.375 -1.108 1.00 0.00 N ATOM 26 CA THR A 57 -9.672 4.181 -2.169 1.00 0.00 C ATOM 27 C THR A 57 -8.342 4.660 -1.671 1.00 0.00 C ATOM 28 O THR A 57 -8.269 5.501 -0.774 1.00 0.00 O ATOM 29 CB THR A 57 -10.047 4.954 -3.447 1.00 0.00 C ATOM 30 OG1 THR A 57 -9.903 6.355 -3.244 1.00 0.00 O ATOM 31 CG2 THR A 57 -11.519 4.800 -3.839 1.00 0.00 C ATOM 0 H THR A 57 -10.562 5.287 -0.653 1.00 0.00 H new ATOM 0 HA THR A 57 -9.658 3.125 -2.438 1.00 0.00 H new ATOM 0 HB THR A 57 -9.388 4.546 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.144 6.831 -4.066 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.715 5.370 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.740 3.747 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.151 5.173 -3.033 1.00 0.00 H new ATOM 39 N ILE A 58 -7.255 4.086 -2.218 1.00 0.00 N ATOM 40 CA ILE A 58 -5.938 4.545 -1.884 1.00 0.00 C ATOM 41 C ILE A 58 -5.082 4.280 -3.079 1.00 0.00 C ATOM 42 O ILE A 58 -5.464 3.522 -3.970 1.00 0.00 O ATOM 43 CB ILE A 58 -5.305 3.858 -0.662 1.00 0.00 C ATOM 44 CG1 ILE A 58 -6.296 3.021 0.156 1.00 0.00 C ATOM 45 CG2 ILE A 58 -4.512 4.830 0.229 1.00 0.00 C ATOM 46 CD1 ILE A 58 -5.627 2.152 1.225 1.00 0.00 C ATOM 0 H ILE A 58 -7.284 3.314 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.012 5.599 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.588 3.153 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.012 3.688 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.862 2.380 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.090 4.287 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.707 5.281 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.177 5.612 0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.388 1.588 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.932 1.460 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.084 2.788 1.924 1.00 0.00 H new ATOM 58 N ARG A 59 -3.884 4.897 -3.135 1.00 0.00 N ATOM 59 CA ARG A 59 -3.064 4.727 -4.291 1.00 0.00 C ATOM 60 C ARG A 59 -1.928 3.854 -3.901 1.00 0.00 C ATOM 61 O ARG A 59 -1.582 3.771 -2.728 1.00 0.00 O ATOM 62 CB ARG A 59 -2.497 6.054 -4.767 1.00 0.00 C ATOM 63 CG ARG A 59 -3.468 6.846 -5.640 1.00 0.00 C ATOM 64 CD ARG A 59 -4.580 7.557 -4.858 1.00 0.00 C ATOM 65 NE ARG A 59 -4.128 8.956 -4.599 1.00 0.00 N ATOM 66 CZ ARG A 59 -4.867 9.790 -3.818 1.00 0.00 C ATOM 67 NH1 ARG A 59 -5.975 9.348 -3.190 1.00 0.00 N ATOM 68 NH2 ARG A 59 -4.461 11.065 -3.620 1.00 0.00 N ATOM 0 H ARG A 59 -3.496 5.494 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.661 4.298 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.224 6.656 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.581 5.870 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.906 7.588 -6.207 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.923 6.170 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.510 7.554 -5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.779 7.039 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.257 9.290 -5.011 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.269 8.377 -3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.519 9.984 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.602 11.400 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.014 11.691 -3.035 1.00 0.00 H new ATOM 82 N VAL A 60 -1.301 3.219 -4.906 1.00 0.00 N ATOM 83 CA VAL A 60 -0.171 2.377 -4.644 1.00 0.00 C ATOM 84 C VAL A 60 0.883 2.740 -5.636 1.00 0.00 C ATOM 85 O VAL A 60 0.719 2.535 -6.836 1.00 0.00 O ATOM 86 CB VAL A 60 -0.456 0.875 -4.767 1.00 0.00 C ATOM 87 CG1 VAL A 60 0.634 -0.002 -4.139 1.00 0.00 C ATOM 88 CG2 VAL A 60 -1.822 0.466 -4.197 1.00 0.00 C ATOM 0 H VAL A 60 -1.569 3.285 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 60 0.128 2.543 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.465 0.699 -5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.371 -1.053 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.587 0.193 -4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.721 0.230 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.959 -0.609 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.866 0.722 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.612 0.994 -4.731 1.00 0.00 H new ATOM 98 N PHE A 61 2.004 3.281 -5.133 1.00 0.00 N ATOM 99 CA PHE A 61 3.086 3.672 -5.988 1.00 0.00 C ATOM 100 C PHE A 61 4.089 2.563 -5.943 1.00 0.00 C ATOM 101 O PHE A 61 4.304 1.939 -4.903 1.00 0.00 O ATOM 102 CB PHE A 61 3.759 4.964 -5.506 1.00 0.00 C ATOM 103 CG PHE A 61 2.948 6.118 -5.994 1.00 0.00 C ATOM 104 CD1 PHE A 61 1.661 6.352 -5.493 1.00 0.00 C ATOM 105 CD2 PHE A 61 3.482 7.049 -6.872 1.00 0.00 C ATOM 106 CE1 PHE A 61 0.960 7.490 -5.836 1.00 0.00 C ATOM 107 CE2 PHE A 61 2.789 8.208 -7.187 1.00 0.00 C ATOM 108 CZ PHE A 61 1.533 8.431 -6.664 1.00 0.00 C ATOM 0 H PHE A 61 2.164 3.449 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 61 2.707 3.856 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.823 4.977 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.779 5.027 -5.886 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.210 5.630 -4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.450 6.869 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.039 7.643 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.235 8.939 -7.845 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.000 9.340 -6.902 1.00 0.00 H new ATOM 118 N LEU A 62 4.735 2.266 -7.090 1.00 0.00 N ATOM 119 CA LEU A 62 5.532 1.074 -7.159 1.00 0.00 C ATOM 120 C LEU A 62 6.944 1.443 -6.805 1.00 0.00 C ATOM 121 O LEU A 62 7.328 2.614 -6.805 1.00 0.00 O ATOM 122 CB LEU A 62 5.520 0.409 -8.543 1.00 0.00 C ATOM 123 CG LEU A 62 4.258 -0.415 -8.822 1.00 0.00 C ATOM 124 CD1 LEU A 62 4.329 -1.840 -8.264 1.00 0.00 C ATOM 125 CD2 LEU A 62 2.972 0.257 -8.331 1.00 0.00 C ATOM 0 H LEU A 62 4.709 2.828 -7.941 1.00 0.00 H new ATOM 0 HA LEU A 62 5.107 0.350 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.615 1.180 -9.307 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.392 -0.238 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 62 4.220 -0.473 -9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.404 -2.368 -8.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.170 -2.366 -8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.463 -1.801 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.118 -0.380 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.030 0.411 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.851 1.219 -8.829 1.00 0.00 H new ATOM 137 N PRO A 63 7.724 0.380 -6.635 1.00 0.00 N ATOM 138 CA PRO A 63 9.091 0.749 -6.333 1.00 0.00 C ATOM 139 C PRO A 63 9.722 1.044 -7.673 1.00 0.00 C ATOM 140 O PRO A 63 10.777 1.669 -7.745 1.00 0.00 O ATOM 141 CB PRO A 63 9.703 -0.501 -5.751 1.00 0.00 C ATOM 142 CG PRO A 63 8.544 -1.319 -5.190 1.00 0.00 C ATOM 143 CD PRO A 63 7.276 -0.735 -5.815 1.00 0.00 C ATOM 0 HA PRO A 63 9.206 1.596 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.242 -1.062 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.421 -0.255 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.653 -2.374 -5.442 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.510 -1.252 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.756 -1.480 -6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.578 -0.402 -5.047 1.00 0.00 H new ATOM 151 N ASN A 64 9.055 0.659 -8.784 1.00 0.00 N ATOM 152 CA ASN A 64 9.533 1.034 -10.084 1.00 0.00 C ATOM 153 C ASN A 64 8.890 2.348 -10.447 1.00 0.00 C ATOM 154 O ASN A 64 8.711 2.661 -11.624 1.00 0.00 O ATOM 155 CB ASN A 64 9.314 -0.015 -11.195 1.00 0.00 C ATOM 156 CG ASN A 64 7.897 -0.566 -11.080 1.00 0.00 C ATOM 157 OD1 ASN A 64 7.609 -1.404 -10.225 1.00 0.00 O ATOM 158 ND2 ASN A 64 6.993 -0.105 -11.982 1.00 0.00 N ATOM 0 H ASN A 64 8.202 0.100 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 64 10.618 1.117 -10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.464 0.437 -12.175 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.041 -0.822 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.035 -0.454 -11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.272 0.590 -12.674 1.00 0.00 H new ATOM 165 N LYS A 65 8.482 3.123 -9.415 1.00 0.00 N ATOM 166 CA LYS A 65 8.142 4.509 -9.590 1.00 0.00 C ATOM 167 C LYS A 65 6.768 4.596 -10.178 1.00 0.00 C ATOM 168 O LYS A 65 6.310 5.674 -10.552 1.00 0.00 O ATOM 169 CB LYS A 65 9.122 5.327 -10.443 1.00 0.00 C ATOM 170 CG LYS A 65 10.592 4.971 -10.196 1.00 0.00 C ATOM 171 CD LYS A 65 11.028 5.114 -8.733 1.00 0.00 C ATOM 172 CE LYS A 65 10.747 6.497 -8.136 1.00 0.00 C ATOM 173 NZ LYS A 65 11.537 7.512 -8.827 1.00 0.00 N ATOM 0 H LYS A 65 8.388 2.787 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 65 8.194 4.957 -8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.891 5.172 -11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.974 6.387 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.766 3.944 -10.518 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.220 5.611 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.516 4.360 -8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.096 4.907 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.686 6.730 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.988 6.499 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.365 8.441 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.547 7.276 -8.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.262 7.543 -9.830 1.00 0.00 H new ATOM 187 N GLN A 66 6.048 3.459 -10.232 1.00 0.00 N ATOM 188 CA GLN A 66 4.762 3.456 -10.865 1.00 0.00 C ATOM 189 C GLN A 66 3.739 3.854 -9.861 1.00 0.00 C ATOM 190 O GLN A 66 4.059 4.261 -8.751 1.00 0.00 O ATOM 191 CB GLN A 66 4.352 2.138 -11.529 1.00 0.00 C ATOM 192 CG GLN A 66 4.435 2.178 -13.053 1.00 0.00 C ATOM 193 CD GLN A 66 3.061 2.555 -13.587 1.00 0.00 C ATOM 194 OE1 GLN A 66 2.524 3.615 -13.262 1.00 0.00 O ATOM 195 NE2 GLN A 66 2.435 1.624 -14.345 1.00 0.00 N ATOM 0 H GLN A 66 6.346 2.562 -9.848 1.00 0.00 H new ATOM 0 HA GLN A 66 4.832 4.168 -11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.992 1.338 -11.158 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.332 1.893 -11.234 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.182 2.904 -13.375 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.743 1.208 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.916 0.759 -14.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.482 1.787 -14.670 1.00 0.00 H new ATOM 204 N ARG A 67 2.467 3.809 -10.293 1.00 0.00 N ATOM 205 CA ARG A 67 1.392 4.259 -9.468 1.00 0.00 C ATOM 206 C ARG A 67 0.141 3.621 -9.974 1.00 0.00 C ATOM 207 O ARG A 67 0.098 3.130 -11.103 1.00 0.00 O ATOM 208 CB ARG A 67 1.204 5.776 -9.481 1.00 0.00 C ATOM 209 CG ARG A 67 1.177 6.385 -10.886 1.00 0.00 C ATOM 210 CD ARG A 67 2.441 7.182 -11.225 1.00 0.00 C ATOM 211 NE ARG A 67 2.111 8.106 -12.352 1.00 0.00 N ATOM 212 CZ ARG A 67 1.976 7.638 -13.624 1.00 0.00 C ATOM 213 NH1 ARG A 67 2.243 6.352 -13.926 1.00 0.00 N ATOM 214 NH2 ARG A 67 1.631 8.486 -14.620 1.00 0.00 N ATOM 0 H ARG A 67 2.184 3.462 -11.210 1.00 0.00 H new ATOM 0 HA ARG A 67 1.623 3.981 -8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.272 6.021 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.010 6.237 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.052 5.587 -11.618 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.309 7.038 -10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.781 7.746 -10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.252 6.510 -11.507 1.00 0.00 H new ATOM 0 HE ARG A 67 1.985 9.101 -12.166 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.552 5.710 -13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.136 6.020 -14.885 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.473 9.473 -14.417 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.529 8.138 -15.573 1.00 0.00 H new ATOM 228 N THR A 68 -0.898 3.622 -9.121 1.00 0.00 N ATOM 229 CA THR A 68 -2.173 3.080 -9.491 1.00 0.00 C ATOM 230 C THR A 68 -3.091 3.339 -8.339 1.00 0.00 C ATOM 231 O THR A 68 -2.645 3.773 -7.276 1.00 0.00 O ATOM 232 CB THR A 68 -2.159 1.574 -9.810 1.00 0.00 C ATOM 233 OG1 THR A 68 -3.413 1.168 -10.342 1.00 0.00 O ATOM 234 CG2 THR A 68 -1.777 0.680 -8.621 1.00 0.00 C ATOM 0 H THR A 68 -0.858 3.998 -8.174 1.00 0.00 H new ATOM 0 HA THR A 68 -2.493 3.561 -10.415 1.00 0.00 H new ATOM 0 HB THR A 68 -1.373 1.439 -10.553 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.389 0.209 -10.542 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.792 -0.365 -8.932 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.777 0.942 -8.275 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.491 0.827 -7.811 1.00 0.00 H new ATOM 242 N VAL A 69 -4.401 3.093 -8.531 1.00 0.00 N ATOM 243 CA VAL A 69 -5.339 3.287 -7.466 1.00 0.00 C ATOM 244 C VAL A 69 -5.987 1.970 -7.202 1.00 0.00 C ATOM 245 O VAL A 69 -6.195 1.169 -8.113 1.00 0.00 O ATOM 246 CB VAL A 69 -6.416 4.340 -7.764 1.00 0.00 C ATOM 247 CG1 VAL A 69 -7.033 4.211 -9.163 1.00 0.00 C ATOM 248 CG2 VAL A 69 -7.504 4.455 -6.679 1.00 0.00 C ATOM 0 H VAL A 69 -4.806 2.765 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.792 3.665 -6.602 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.866 5.281 -7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.785 4.988 -9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.253 4.322 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.500 3.231 -9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.225 5.220 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.014 3.498 -6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.044 4.729 -5.730 1.00 0.00 H new ATOM 258 N VAL A 70 -6.313 1.727 -5.921 1.00 0.00 N ATOM 259 CA VAL A 70 -6.929 0.492 -5.542 1.00 0.00 C ATOM 260 C VAL A 70 -8.044 0.825 -4.602 1.00 0.00 C ATOM 261 O VAL A 70 -8.049 1.885 -3.974 1.00 0.00 O ATOM 262 CB VAL A 70 -5.960 -0.475 -4.851 1.00 0.00 C ATOM 263 CG1 VAL A 70 -4.838 -0.962 -5.771 1.00 0.00 C ATOM 264 CG2 VAL A 70 -5.315 0.093 -3.574 1.00 0.00 C ATOM 0 H VAL A 70 -6.152 2.378 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.280 -0.011 -6.443 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.600 -1.314 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.187 -1.643 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.269 -1.483 -6.626 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.258 -0.108 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.643 -0.650 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.751 0.993 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.093 0.339 -2.852 1.00 0.00 H new ATOM 274 N ASN A 71 -9.008 -0.105 -4.473 1.00 0.00 N ATOM 275 CA ASN A 71 -10.119 0.109 -3.593 1.00 0.00 C ATOM 276 C ASN A 71 -9.971 -0.863 -2.466 1.00 0.00 C ATOM 277 O ASN A 71 -9.455 -1.966 -2.644 1.00 0.00 O ATOM 278 CB ASN A 71 -11.481 -0.153 -4.256 1.00 0.00 C ATOM 279 CG ASN A 71 -11.690 0.882 -5.354 1.00 0.00 C ATOM 280 OD1 ASN A 71 -11.047 1.932 -5.378 1.00 0.00 O ATOM 281 ND2 ASN A 71 -12.646 0.603 -6.280 1.00 0.00 N ATOM 0 H ASN A 71 -9.021 -0.995 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.106 1.153 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.512 -1.160 -4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.280 -0.089 -3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.848 1.273 -7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.161 -0.276 -6.232 1.00 0.00 H new ATOM 288 N VAL A 72 -10.445 -0.471 -1.269 1.00 0.00 N ATOM 289 CA VAL A 72 -10.331 -1.329 -0.126 1.00 0.00 C ATOM 290 C VAL A 72 -11.679 -1.938 0.103 1.00 0.00 C ATOM 291 O VAL A 72 -12.708 -1.271 0.021 1.00 0.00 O ATOM 292 CB VAL A 72 -9.857 -0.585 1.129 1.00 0.00 C ATOM 293 CG1 VAL A 72 -9.833 -1.456 2.391 1.00 0.00 C ATOM 294 CG2 VAL A 72 -8.432 -0.035 0.983 1.00 0.00 C ATOM 0 H VAL A 72 -10.900 0.424 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.576 -2.090 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.589 0.216 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.488 -0.862 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.837 -1.828 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.158 -2.298 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.146 0.482 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.741 -0.858 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.395 0.662 0.146 1.00 0.00 H new ATOM 366 N SER A 77 -6.508 -6.100 4.312 1.00 0.00 N ATOM 367 CA SER A 77 -5.193 -6.297 4.861 1.00 0.00 C ATOM 368 C SER A 77 -4.195 -5.995 3.800 1.00 0.00 C ATOM 369 O SER A 77 -4.214 -6.634 2.766 1.00 0.00 O ATOM 370 CB SER A 77 -4.858 -7.695 5.366 1.00 0.00 C ATOM 371 OG SER A 77 -5.906 -8.189 6.189 1.00 0.00 O ATOM 0 HA SER A 77 -5.166 -5.640 5.730 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.703 -8.366 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.925 -7.671 5.929 1.00 0.00 H new ATOM 0 HG SER A 77 -6.763 -7.830 5.878 1.00 0.00 H new ATOM 377 N LEU A 78 -3.108 -5.316 4.211 1.00 0.00 N ATOM 378 CA LEU A 78 -2.129 -4.775 3.308 1.00 0.00 C ATOM 379 C LEU A 78 -1.738 -5.820 2.299 1.00 0.00 C ATOM 380 O LEU A 78 -1.908 -5.621 1.106 1.00 0.00 O ATOM 381 CB LEU A 78 -0.886 -4.341 4.085 1.00 0.00 C ATOM 382 CG LEU A 78 -0.734 -2.826 4.199 1.00 0.00 C ATOM 383 CD1 LEU A 78 -0.614 -2.139 2.885 1.00 0.00 C ATOM 384 CD2 LEU A 78 -1.988 -2.118 4.665 1.00 0.00 C ATOM 0 H LEU A 78 -2.901 -5.137 5.194 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.558 -3.913 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.926 -4.770 5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.002 -4.751 3.597 1.00 0.00 H new ATOM 0 HG LEU A 78 0.129 -2.762 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.509 -1.066 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.262 -2.515 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.507 -2.332 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.801 -1.046 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.797 -2.309 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.270 -2.489 5.650 1.00 0.00 H new ATOM 396 N HIS A 79 -1.241 -6.976 2.772 1.00 0.00 N ATOM 397 CA HIS A 79 -0.670 -7.960 1.890 1.00 0.00 C ATOM 398 C HIS A 79 -1.731 -8.416 0.934 1.00 0.00 C ATOM 399 O HIS A 79 -1.547 -8.325 -0.270 1.00 0.00 O ATOM 400 CB HIS A 79 -0.159 -9.201 2.646 1.00 0.00 C ATOM 401 CG HIS A 79 1.329 -9.374 2.570 1.00 0.00 C ATOM 402 ND1 HIS A 79 2.041 -9.111 1.434 1.00 0.00 N ATOM 403 CD2 HIS A 79 2.209 -9.821 3.489 1.00 0.00 C ATOM 404 CE1 HIS A 79 3.322 -9.329 1.684 1.00 0.00 C ATOM 405 NE2 HIS A 79 3.447 -9.803 2.911 1.00 0.00 N ATOM 0 H HIS A 79 -1.232 -7.234 3.759 1.00 0.00 H new ATOM 0 HA HIS A 79 0.174 -7.494 1.381 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.456 -9.128 3.692 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.642 -10.089 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.978 -10.135 4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.135 -9.149 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.317 -10.103 3.351 1.00 0.00 H new ATOM 414 N ASP A 80 -2.900 -8.833 1.457 1.00 0.00 N ATOM 415 CA ASP A 80 -3.906 -9.420 0.617 1.00 0.00 C ATOM 416 C ASP A 80 -4.573 -8.317 -0.160 1.00 0.00 C ATOM 417 O ASP A 80 -5.233 -8.574 -1.160 1.00 0.00 O ATOM 418 CB ASP A 80 -4.988 -10.157 1.415 1.00 0.00 C ATOM 419 CG ASP A 80 -4.397 -11.464 1.923 1.00 0.00 C ATOM 420 OD1 ASP A 80 -3.522 -11.402 2.828 1.00 0.00 O ATOM 421 OD2 ASP A 80 -4.812 -12.535 1.411 1.00 0.00 O ATOM 0 H ASP A 80 -3.148 -8.767 2.444 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.414 -10.146 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.329 -9.544 2.250 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.857 -10.352 0.787 1.00 0.00 H new ATOM 426 N CYS A 81 -4.393 -7.056 0.285 1.00 0.00 N ATOM 427 CA CYS A 81 -5.059 -5.951 -0.344 1.00 0.00 C ATOM 428 C CYS A 81 -4.168 -5.435 -1.449 1.00 0.00 C ATOM 429 O CYS A 81 -4.625 -4.750 -2.360 1.00 0.00 O ATOM 430 CB CYS A 81 -5.310 -4.821 0.668 1.00 0.00 C ATOM 431 SG CYS A 81 -6.780 -3.865 0.170 1.00 0.00 S ATOM 0 H CYS A 81 -3.794 -6.803 1.071 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.020 -6.282 -0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.456 -5.238 1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.440 -4.167 0.721 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.990 -2.912 1.029 1.00 0.00 H new ATOM 437 N LEU A 82 -2.861 -5.750 -1.374 1.00 0.00 N ATOM 438 CA LEU A 82 -1.910 -5.249 -2.331 1.00 0.00 C ATOM 439 C LEU A 82 -1.610 -6.355 -3.259 1.00 0.00 C ATOM 440 O LEU A 82 -1.095 -6.161 -4.350 1.00 0.00 O ATOM 441 CB LEU A 82 -0.582 -4.961 -1.645 1.00 0.00 C ATOM 442 CG LEU A 82 -0.606 -3.722 -0.762 1.00 0.00 C ATOM 443 CD1 LEU A 82 0.383 -2.640 -1.208 1.00 0.00 C ATOM 444 CD2 LEU A 82 -1.959 -3.015 -0.721 1.00 0.00 C ATOM 0 H LEU A 82 -2.459 -6.350 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.317 -4.357 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.302 -5.823 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.191 -4.840 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.346 -4.132 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.314 -1.785 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.396 -3.041 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.143 -2.324 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.894 -2.143 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.235 -2.698 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.715 -3.699 -0.336 1.00 0.00 H new ATOM 456 N MET A 83 -1.883 -7.571 -2.785 1.00 0.00 N ATOM 457 CA MET A 83 -1.708 -8.756 -3.563 1.00 0.00 C ATOM 458 C MET A 83 -2.770 -8.749 -4.624 1.00 0.00 C ATOM 459 O MET A 83 -2.909 -9.687 -5.396 1.00 0.00 O ATOM 460 CB MET A 83 -1.998 -9.899 -2.600 1.00 0.00 C ATOM 461 CG MET A 83 -2.172 -11.248 -3.277 1.00 0.00 C ATOM 462 SD MET A 83 -1.634 -12.573 -2.151 1.00 0.00 S ATOM 463 CE MET A 83 0.167 -12.290 -2.187 1.00 0.00 C ATOM 0 H MET A 83 -2.233 -7.742 -1.842 1.00 0.00 H new ATOM 0 HA MET A 83 -0.721 -8.837 -4.018 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.184 -9.968 -1.879 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.903 -9.667 -2.038 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.216 -11.395 -3.554 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.590 -11.281 -4.198 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.687 -13.232 -2.014 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.453 -11.891 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.439 -11.577 -1.408 1.00 0.00 H new ATOM 473 N LYS A 84 -3.664 -7.756 -4.534 1.00 0.00 N ATOM 474 CA LYS A 84 -4.476 -7.349 -5.645 1.00 0.00 C ATOM 475 C LYS A 84 -3.592 -6.590 -6.571 1.00 0.00 C ATOM 476 O LYS A 84 -3.399 -6.985 -7.718 1.00 0.00 O ATOM 477 CB LYS A 84 -5.477 -6.274 -5.210 1.00 0.00 C ATOM 478 CG LYS A 84 -6.806 -6.841 -4.746 1.00 0.00 C ATOM 479 CD LYS A 84 -6.718 -7.563 -3.402 1.00 0.00 C ATOM 480 CE LYS A 84 -8.070 -7.702 -2.694 1.00 0.00 C ATOM 481 NZ LYS A 84 -7.930 -8.555 -1.518 1.00 0.00 N ATOM 0 H LYS A 84 -3.831 -7.223 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.959 -8.234 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.040 -5.686 -4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.652 -5.593 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.532 -6.031 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.180 -7.534 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.295 -8.555 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.030 -7.022 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.439 -6.719 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.806 -8.127 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.597 -8.245 -0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.135 -9.541 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.958 -8.488 -1.154 1.00 0.00 H new ATOM 495 N ALA A 85 -3.068 -5.475 -6.033 1.00 0.00 N ATOM 496 CA ALA A 85 -2.408 -4.454 -6.814 1.00 0.00 C ATOM 497 C ALA A 85 -1.285 -5.077 -7.581 1.00 0.00 C ATOM 498 O ALA A 85 -1.243 -5.008 -8.800 1.00 0.00 O ATOM 499 CB ALA A 85 -1.761 -3.511 -5.770 1.00 0.00 C ATOM 0 H ALA A 85 -3.099 -5.270 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.098 -3.956 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.237 -2.704 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.536 -3.090 -5.130 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.053 -4.073 -5.161 1.00 0.00 H new ATOM 505 N LEU A 86 -0.354 -5.709 -6.851 1.00 0.00 N ATOM 506 CA LEU A 86 0.910 -6.106 -7.399 1.00 0.00 C ATOM 507 C LEU A 86 0.674 -7.283 -8.254 1.00 0.00 C ATOM 508 O LEU A 86 1.436 -7.552 -9.165 1.00 0.00 O ATOM 509 CB LEU A 86 1.750 -6.585 -6.237 1.00 0.00 C ATOM 510 CG LEU A 86 1.913 -5.515 -5.164 1.00 0.00 C ATOM 511 CD1 LEU A 86 1.892 -6.070 -3.775 1.00 0.00 C ATOM 512 CD2 LEU A 86 2.946 -4.454 -5.519 1.00 0.00 C ATOM 0 H LEU A 86 -0.475 -5.950 -5.867 1.00 0.00 H new ATOM 0 HA LEU A 86 1.381 -5.293 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.289 -7.470 -5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.733 -6.885 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 86 1.010 -4.905 -5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.012 -5.259 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.941 -6.573 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.707 -6.784 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.011 -3.725 -4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.918 -4.926 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.650 -3.951 -6.439 1.00 0.00 H new ATOM 524 N LYS A 87 -0.378 -8.037 -7.918 1.00 0.00 N ATOM 525 CA LYS A 87 -0.794 -9.152 -8.725 1.00 0.00 C ATOM 526 C LYS A 87 -1.036 -8.653 -10.121 1.00 0.00 C ATOM 527 O LYS A 87 -0.587 -9.259 -11.093 1.00 0.00 O ATOM 528 CB LYS A 87 -2.151 -9.653 -8.240 1.00 0.00 C ATOM 529 CG LYS A 87 -2.223 -11.165 -8.085 1.00 0.00 C ATOM 530 CD LYS A 87 -2.893 -11.860 -9.274 1.00 0.00 C ATOM 531 CE LYS A 87 -3.043 -13.374 -9.094 1.00 0.00 C ATOM 532 NZ LYS A 87 -4.025 -13.659 -8.051 1.00 0.00 N ATOM 0 H LYS A 87 -0.948 -7.882 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.033 -9.931 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.380 -9.187 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.920 -9.331 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.215 -11.560 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.772 -11.405 -7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.878 -11.422 -9.432 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.310 -11.665 -10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.355 -13.831 -10.033 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.081 -13.814 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.246 -14.675 -8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.636 -13.389 -7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.893 -13.116 -8.234 1.00 0.00 H new ATOM 546 N VAL A 88 -1.775 -7.532 -10.210 1.00 0.00 N ATOM 547 CA VAL A 88 -2.134 -6.940 -11.472 1.00 0.00 C ATOM 548 C VAL A 88 -0.867 -6.538 -12.183 1.00 0.00 C ATOM 549 O VAL A 88 -0.781 -6.592 -13.408 1.00 0.00 O ATOM 550 CB VAL A 88 -2.948 -5.655 -11.243 1.00 0.00 C ATOM 551 CG1 VAL A 88 -3.259 -4.867 -12.517 1.00 0.00 C ATOM 552 CG2 VAL A 88 -4.179 -5.856 -10.360 1.00 0.00 C ATOM 0 H VAL A 88 -2.130 -7.026 -9.399 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.717 -7.658 -12.048 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.272 -5.018 -10.673 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.835 -3.977 -12.263 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.327 -4.570 -12.998 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.837 -5.491 -13.199 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.702 -4.907 -10.244 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.845 -6.583 -10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.869 -6.222 -9.381 1.00 0.00 H new ATOM 562 N ARG A 89 0.145 -6.113 -11.405 1.00 0.00 N ATOM 563 CA ARG A 89 1.292 -5.466 -11.966 1.00 0.00 C ATOM 564 C ARG A 89 2.301 -6.522 -12.317 1.00 0.00 C ATOM 565 O ARG A 89 3.085 -6.360 -13.251 1.00 0.00 O ATOM 566 CB ARG A 89 1.861 -4.516 -10.914 1.00 0.00 C ATOM 567 CG ARG A 89 0.778 -3.661 -10.252 1.00 0.00 C ATOM 568 CD ARG A 89 1.032 -2.158 -10.337 1.00 0.00 C ATOM 569 NE ARG A 89 0.327 -1.652 -11.552 1.00 0.00 N ATOM 570 CZ ARG A 89 0.342 -0.326 -11.856 1.00 0.00 C ATOM 571 NH1 ARG A 89 1.033 0.547 -11.102 1.00 0.00 N ATOM 572 NH2 ARG A 89 -0.353 0.131 -12.921 1.00 0.00 N ATOM 0 H ARG A 89 0.170 -6.217 -10.391 1.00 0.00 H new ATOM 0 HA ARG A 89 1.035 -4.902 -12.862 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.381 -5.094 -10.150 1.00 0.00 H new ATOM 0 HB3 ARG A 89 2.601 -3.864 -11.379 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.181 -3.883 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.696 -3.946 -9.203 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.663 -1.656 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.101 -1.953 -10.400 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.169 -2.305 -12.158 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.555 0.218 -10.290 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.035 1.538 -11.342 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.889 -0.518 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.342 1.125 -13.149 1.00 0.00 H new ATOM 586 N GLY A 90 2.310 -7.625 -11.548 1.00 0.00 N ATOM 587 CA GLY A 90 3.216 -8.709 -11.812 1.00 0.00 C ATOM 588 C GLY A 90 4.298 -8.653 -10.779 1.00 0.00 C ATOM 589 O GLY A 90 5.420 -9.093 -11.017 1.00 0.00 O ATOM 0 H GLY A 90 1.695 -7.770 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.693 -9.665 -11.768 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.637 -8.621 -12.814 1.00 0.00 H new ATOM 593 N LEU A 91 3.970 -8.109 -9.590 1.00 0.00 N ATOM 594 CA LEU A 91 4.951 -7.941 -8.558 1.00 0.00 C ATOM 595 C LEU A 91 4.557 -8.842 -7.427 1.00 0.00 C ATOM 596 O LEU A 91 3.486 -9.448 -7.439 1.00 0.00 O ATOM 597 CB LEU A 91 4.955 -6.504 -8.004 1.00 0.00 C ATOM 598 CG LEU A 91 5.666 -5.477 -8.894 1.00 0.00 C ATOM 599 CD1 LEU A 91 6.675 -4.612 -8.126 1.00 0.00 C ATOM 600 CD2 LEU A 91 6.351 -6.082 -10.125 1.00 0.00 C ATOM 0 H LEU A 91 3.034 -7.788 -9.344 1.00 0.00 H new ATOM 0 HA LEU A 91 5.935 -8.165 -8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.924 -6.184 -7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.432 -6.508 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 91 4.853 -4.842 -9.246 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.144 -3.906 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.159 -4.064 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.439 -5.251 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.830 -5.290 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.103 -6.803 -9.805 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.608 -6.583 -10.745 1.00 0.00 H new ATOM 612 N GLN A 92 5.409 -8.906 -6.383 1.00 0.00 N ATOM 613 CA GLN A 92 5.069 -9.662 -5.213 1.00 0.00 C ATOM 614 C GLN A 92 5.315 -8.770 -4.022 1.00 0.00 C ATOM 615 O GLN A 92 6.214 -7.926 -4.027 1.00 0.00 O ATOM 616 CB GLN A 92 5.842 -10.984 -5.078 1.00 0.00 C ATOM 617 CG GLN A 92 7.316 -10.806 -4.681 1.00 0.00 C ATOM 618 CD GLN A 92 8.079 -12.073 -5.059 1.00 0.00 C ATOM 619 OE1 GLN A 92 8.527 -12.225 -6.196 1.00 0.00 O ATOM 620 NE2 GLN A 92 8.303 -12.999 -4.078 1.00 0.00 N ATOM 0 H GLN A 92 6.317 -8.443 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 92 4.023 -9.962 -5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.348 -11.608 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.793 -11.520 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.743 -9.942 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.399 -10.619 -3.610 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.923 -12.853 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.850 -13.835 -4.281 1.00 0.00 H new ATOM 629 N PRO A 93 4.537 -9.041 -2.981 1.00 0.00 N ATOM 630 CA PRO A 93 4.666 -8.028 -1.952 1.00 0.00 C ATOM 631 C PRO A 93 5.533 -8.651 -0.888 1.00 0.00 C ATOM 632 O PRO A 93 5.949 -7.975 0.050 1.00 0.00 O ATOM 633 CB PRO A 93 3.282 -7.859 -1.363 1.00 0.00 C ATOM 634 CG PRO A 93 2.453 -9.038 -1.860 1.00 0.00 C ATOM 635 CD PRO A 93 3.189 -9.572 -3.080 1.00 0.00 C ATOM 0 HA PRO A 93 5.070 -7.083 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.323 -7.845 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.839 -6.914 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.362 -9.805 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.442 -8.724 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.196 -10.662 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.706 -9.249 -4.002 1.00 0.00 H new ATOM 643 N GLU A 94 5.859 -9.955 -1.011 1.00 0.00 N ATOM 644 CA GLU A 94 6.455 -10.674 0.085 1.00 0.00 C ATOM 645 C GLU A 94 7.855 -10.162 0.297 1.00 0.00 C ATOM 646 O GLU A 94 8.422 -10.318 1.375 1.00 0.00 O ATOM 647 CB GLU A 94 6.566 -12.190 -0.136 1.00 0.00 C ATOM 648 CG GLU A 94 5.229 -12.874 -0.450 1.00 0.00 C ATOM 649 CD GLU A 94 5.123 -13.050 -1.960 1.00 0.00 C ATOM 650 OE1 GLU A 94 6.115 -13.527 -2.577 1.00 0.00 O ATOM 651 OE2 GLU A 94 4.070 -12.658 -2.523 1.00 0.00 O ATOM 0 H GLU A 94 5.714 -10.507 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 94 5.798 -10.509 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.260 -12.378 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.995 -12.646 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.171 -13.841 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.399 -12.273 -0.079 1.00 0.00 H new ATOM 658 N CYS A 95 8.453 -9.546 -0.742 1.00 0.00 N ATOM 659 CA CYS A 95 9.845 -9.204 -0.677 1.00 0.00 C ATOM 660 C CYS A 95 9.948 -7.710 -0.574 1.00 0.00 C ATOM 661 O CYS A 95 11.017 -7.133 -0.775 1.00 0.00 O ATOM 662 CB CYS A 95 10.586 -9.647 -1.947 1.00 0.00 C ATOM 663 SG CYS A 95 12.357 -9.885 -1.580 1.00 0.00 S ATOM 0 H CYS A 95 7.985 -9.289 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 95 10.293 -9.704 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.156 -10.575 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.465 -8.898 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 95 12.977 -10.262 -2.659 1.00 0.00 H new ATOM 669 N CYS A 96 8.835 -7.039 -0.224 1.00 0.00 N ATOM 670 CA CYS A 96 8.816 -5.608 -0.279 1.00 0.00 C ATOM 671 C CYS A 96 8.332 -5.101 1.047 1.00 0.00 C ATOM 672 O CYS A 96 7.811 -5.856 1.868 1.00 0.00 O ATOM 673 CB CYS A 96 7.838 -5.098 -1.340 1.00 0.00 C ATOM 674 SG CYS A 96 8.346 -5.691 -2.988 1.00 0.00 S ATOM 0 H CYS A 96 7.967 -7.474 0.090 1.00 0.00 H new ATOM 0 HA CYS A 96 9.820 -5.261 -0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.830 -5.444 -1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.811 -4.008 -1.328 1.00 0.00 H new ATOM 0 HG CYS A 96 7.500 -6.585 -3.407 1.00 0.00 H new ATOM 680 N ALA A 97 8.494 -3.778 1.262 1.00 0.00 N ATOM 681 CA ALA A 97 7.882 -3.116 2.378 1.00 0.00 C ATOM 682 C ALA A 97 6.954 -2.100 1.804 1.00 0.00 C ATOM 683 O ALA A 97 7.310 -1.360 0.893 1.00 0.00 O ATOM 684 CB ALA A 97 8.803 -2.371 3.366 1.00 0.00 C ATOM 0 H ALA A 97 9.049 -3.167 0.662 1.00 0.00 H new ATOM 0 HA ALA A 97 7.428 -3.911 2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.201 -1.921 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.510 -3.074 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.349 -1.590 2.836 1.00 0.00 H new ATOM 690 N VAL A 98 5.734 -2.027 2.356 1.00 0.00 N ATOM 691 CA VAL A 98 4.766 -1.088 1.879 1.00 0.00 C ATOM 692 C VAL A 98 4.724 0.043 2.861 1.00 0.00 C ATOM 693 O VAL A 98 5.044 -0.118 4.041 1.00 0.00 O ATOM 694 CB VAL A 98 3.377 -1.723 1.784 1.00 0.00 C ATOM 695 CG1 VAL A 98 3.040 -2.593 2.992 1.00 0.00 C ATOM 696 CG2 VAL A 98 2.245 -0.726 1.529 1.00 0.00 C ATOM 0 H VAL A 98 5.416 -2.613 3.128 1.00 0.00 H new ATOM 0 HA VAL A 98 5.045 -0.747 0.882 1.00 0.00 H new ATOM 0 HB VAL A 98 3.445 -2.360 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.043 -3.017 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.769 -3.399 3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.067 -1.986 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.296 -1.259 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.209 -0.001 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.423 -0.207 0.587 1.00 0.00 H new ATOM 706 N PHE A 99 4.296 1.222 2.379 1.00 0.00 N ATOM 707 CA PHE A 99 4.350 2.408 3.177 1.00 0.00 C ATOM 708 C PHE A 99 3.196 3.263 2.772 1.00 0.00 C ATOM 709 O PHE A 99 2.638 3.108 1.688 1.00 0.00 O ATOM 710 CB PHE A 99 5.585 3.264 2.865 1.00 0.00 C ATOM 711 CG PHE A 99 6.785 2.582 3.424 1.00 0.00 C ATOM 712 CD1 PHE A 99 7.452 1.610 2.675 1.00 0.00 C ATOM 713 CD2 PHE A 99 7.395 3.015 4.593 1.00 0.00 C ATOM 714 CE1 PHE A 99 8.775 1.317 2.923 1.00 0.00 C ATOM 715 CE2 PHE A 99 8.699 2.688 4.868 1.00 0.00 C ATOM 716 CZ PHE A 99 9.415 1.930 3.974 1.00 0.00 C ATOM 0 H PHE A 99 3.914 1.355 1.442 1.00 0.00 H new ATOM 0 HA PHE A 99 4.356 2.102 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.692 3.397 1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.477 4.258 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.925 1.083 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.837 3.617 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.304 0.613 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.161 3.025 5.784 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.482 1.815 4.097 1.00 0.00 H new ATOM 726 N ARG A 100 2.892 4.260 3.620 1.00 0.00 N ATOM 727 CA ARG A 100 2.075 5.354 3.213 1.00 0.00 C ATOM 728 C ARG A 100 3.010 6.506 3.013 1.00 0.00 C ATOM 729 O ARG A 100 4.069 6.579 3.636 1.00 0.00 O ATOM 730 CB ARG A 100 0.985 5.615 4.248 1.00 0.00 C ATOM 731 CG ARG A 100 0.746 7.087 4.579 1.00 0.00 C ATOM 732 CD ARG A 100 -0.012 7.258 5.894 1.00 0.00 C ATOM 733 NE ARG A 100 -0.930 8.429 5.764 1.00 0.00 N ATOM 734 CZ ARG A 100 -0.526 9.688 6.086 1.00 0.00 C ATOM 735 NH1 ARG A 100 0.687 9.911 6.625 1.00 0.00 N ATOM 736 NH2 ARG A 100 -1.387 10.720 5.949 1.00 0.00 N ATOM 0 H ARG A 100 3.213 4.307 4.587 1.00 0.00 H new ATOM 0 HA ARG A 100 1.535 5.161 2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.052 5.184 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.245 5.089 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.703 7.605 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.182 7.554 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.579 6.356 6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.686 7.414 6.716 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.881 8.282 5.426 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.320 9.130 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.974 10.861 6.860 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.333 10.553 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.091 11.666 6.188 1.00 0.00 H new ATOM 750 N LEU A 101 2.671 7.408 2.078 1.00 0.00 N ATOM 751 CA LEU A 101 3.623 8.379 1.621 1.00 0.00 C ATOM 752 C LEU A 101 3.727 9.452 2.658 1.00 0.00 C ATOM 753 O LEU A 101 2.979 9.492 3.635 1.00 0.00 O ATOM 754 CB LEU A 101 3.185 9.060 0.311 1.00 0.00 C ATOM 755 CG LEU A 101 3.135 8.111 -0.889 1.00 0.00 C ATOM 756 CD1 LEU A 101 2.865 8.823 -2.220 1.00 0.00 C ATOM 757 CD2 LEU A 101 4.397 7.263 -1.041 1.00 0.00 C ATOM 0 H LEU A 101 1.752 7.469 1.641 1.00 0.00 H new ATOM 0 HA LEU A 101 4.566 7.861 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.199 9.503 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.872 9.876 0.089 1.00 0.00 H new ATOM 0 HG LEU A 101 2.292 7.458 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.843 8.090 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.905 9.336 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.655 9.549 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.296 6.613 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.260 7.915 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.537 6.655 -0.147 1.00 0.00 H new ATOM 769 N LEU A 102 4.675 10.380 2.432 1.00 0.00 N ATOM 770 CA LEU A 102 4.951 11.404 3.387 1.00 0.00 C ATOM 771 C LEU A 102 4.022 12.548 3.117 1.00 0.00 C ATOM 772 O LEU A 102 4.353 13.498 2.409 1.00 0.00 O ATOM 773 CB LEU A 102 6.407 11.870 3.346 1.00 0.00 C ATOM 774 CG LEU A 102 7.128 11.536 2.037 1.00 0.00 C ATOM 775 CD1 LEU A 102 6.466 12.172 0.814 1.00 0.00 C ATOM 776 CD2 LEU A 102 8.616 11.901 2.058 1.00 0.00 C ATOM 0 H LEU A 102 5.248 10.420 1.589 1.00 0.00 H new ATOM 0 HA LEU A 102 4.793 11.003 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 102 6.438 12.948 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.948 11.413 4.174 1.00 0.00 H new ATOM 0 HG LEU A 102 7.044 10.453 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.022 11.900 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.440 11.814 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.464 13.256 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.068 11.639 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.726 12.972 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.114 11.352 2.857 1.00 0.00 H new ATOM 788 N HIS A 103 2.836 12.516 3.753 1.00 0.00 N ATOM 789 CA HIS A 103 1.891 13.579 3.586 1.00 0.00 C ATOM 790 C HIS A 103 2.075 14.527 4.737 1.00 0.00 C ATOM 791 O HIS A 103 1.540 15.634 4.735 1.00 0.00 O ATOM 792 CB HIS A 103 0.436 13.085 3.551 1.00 0.00 C ATOM 793 CG HIS A 103 0.097 12.350 2.286 1.00 0.00 C ATOM 794 ND1 HIS A 103 -1.061 11.629 2.144 1.00 0.00 N ATOM 795 CD2 HIS A 103 0.685 12.383 1.067 1.00 0.00 C ATOM 796 CE1 HIS A 103 -1.164 11.240 0.883 1.00 0.00 C ATOM 797 NE2 HIS A 103 -0.118 11.682 0.209 1.00 0.00 N ATOM 0 H HIS A 103 2.534 11.766 4.374 1.00 0.00 H new ATOM 0 HA HIS A 103 2.074 14.062 2.626 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.260 12.430 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.234 13.938 3.660 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -1.731 11.426 2.886 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.615 12.872 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.973 10.655 0.472 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.061 11.527 -0.783 1.00 0.00 H new ATOM 806 N GLU A 104 2.861 14.113 5.754 1.00 0.00 N ATOM 807 CA GLU A 104 3.105 14.969 6.880 1.00 0.00 C ATOM 808 C GLU A 104 4.501 14.695 7.359 1.00 0.00 C ATOM 809 O GLU A 104 4.802 14.819 8.545 1.00 0.00 O ATOM 810 CB GLU A 104 2.162 14.728 8.076 1.00 0.00 C ATOM 811 CG GLU A 104 0.674 14.694 7.701 1.00 0.00 C ATOM 812 CD GLU A 104 0.320 13.289 7.219 1.00 0.00 C ATOM 813 OE1 GLU A 104 1.153 12.346 7.361 1.00 0.00 O ATOM 814 OE2 GLU A 104 -0.800 13.114 6.669 1.00 0.00 O ATOM 0 H GLU A 104 3.320 13.203 5.797 1.00 0.00 H new ATOM 0 HA GLU A 104 2.943 15.992 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.428 13.784 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.322 15.513 8.815 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.062 14.963 8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.465 15.425 6.920 1.00 0.00 H new ATOM 821 N HIS A 105 5.393 14.255 6.448 1.00 0.00 N ATOM 822 CA HIS A 105 6.738 13.951 6.848 1.00 0.00 C ATOM 823 C HIS A 105 7.632 14.339 5.714 1.00 0.00 C ATOM 824 O HIS A 105 7.166 14.675 4.629 1.00 0.00 O ATOM 825 CB HIS A 105 7.000 12.467 7.191 1.00 0.00 C ATOM 826 CG HIS A 105 5.769 11.608 7.144 1.00 0.00 C ATOM 827 ND1 HIS A 105 4.737 11.754 8.032 1.00 0.00 N ATOM 828 CD2 HIS A 105 5.517 10.487 6.437 1.00 0.00 C ATOM 829 CE1 HIS A 105 3.842 10.807 7.794 1.00 0.00 C ATOM 830 NE2 HIS A 105 4.289 10.029 6.822 1.00 0.00 N ATOM 0 H HIS A 105 5.192 14.112 5.458 1.00 0.00 H new ATOM 0 HA HIS A 105 6.929 14.503 7.768 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.737 12.067 6.495 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.437 12.406 8.188 1.00 0.00 H new ATOM 0 HD1 HIS A 105 4.669 12.471 8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.167 10.035 5.702 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.900 10.689 8.310 1.00 0.00 H new ATOM 839 N LYS A 106 8.956 14.363 5.969 1.00 0.00 N ATOM 840 CA LYS A 106 9.890 14.626 4.919 1.00 0.00 C ATOM 841 C LYS A 106 11.004 13.636 5.065 1.00 0.00 C ATOM 842 O LYS A 106 11.581 13.486 6.140 1.00 0.00 O ATOM 843 CB LYS A 106 10.513 16.018 5.033 1.00 0.00 C ATOM 844 CG LYS A 106 9.825 17.070 4.160 1.00 0.00 C ATOM 845 CD LYS A 106 8.524 17.614 4.760 1.00 0.00 C ATOM 846 CE LYS A 106 7.483 18.010 3.708 1.00 0.00 C ATOM 847 NZ LYS A 106 7.003 16.822 3.005 1.00 0.00 N ATOM 0 H LYS A 106 9.372 14.203 6.886 1.00 0.00 H new ATOM 0 HA LYS A 106 9.366 14.557 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 106 10.475 16.340 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.566 15.960 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.513 17.899 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 106 9.610 16.635 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.094 16.860 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 106 8.753 18.483 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.648 18.522 4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.921 18.711 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.059 17.009 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.659 16.586 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.949 16.024 3.669 1.00 0.00 H new ATOM 861 N GLY A 107 11.318 12.924 3.964 1.00 0.00 N ATOM 862 CA GLY A 107 12.513 12.126 3.921 1.00 0.00 C ATOM 863 C GLY A 107 12.197 10.761 4.457 1.00 0.00 C ATOM 864 O GLY A 107 13.073 9.903 4.537 1.00 0.00 O ATOM 0 H GLY A 107 10.755 12.899 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.883 12.054 2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.301 12.592 4.513 1.00 0.00 H new ATOM 868 N LYS A 108 10.922 10.512 4.816 1.00 0.00 N ATOM 869 CA LYS A 108 10.571 9.255 5.396 1.00 0.00 C ATOM 870 C LYS A 108 9.150 9.000 5.048 1.00 0.00 C ATOM 871 O LYS A 108 8.297 9.874 5.181 1.00 0.00 O ATOM 872 CB LYS A 108 10.694 9.223 6.916 1.00 0.00 C ATOM 873 CG LYS A 108 12.143 9.154 7.396 1.00 0.00 C ATOM 874 CD LYS A 108 12.335 8.251 8.617 1.00 0.00 C ATOM 875 CE LYS A 108 13.771 8.239 9.145 1.00 0.00 C ATOM 876 NZ LYS A 108 13.872 7.351 10.299 1.00 0.00 N ATOM 0 H LYS A 108 10.149 11.169 4.707 1.00 0.00 H new ATOM 0 HA LYS A 108 11.259 8.504 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.221 10.113 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.148 8.362 7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.771 8.791 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.486 10.160 7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.666 8.581 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.043 7.234 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.453 7.909 8.361 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.073 9.248 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.851 7.349 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.235 7.684 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.603 6.386 10.019 1.00 0.00 H new ATOM 890 N LYS A 109 8.878 7.768 4.601 1.00 0.00 N ATOM 891 CA LYS A 109 7.541 7.351 4.334 1.00 0.00 C ATOM 892 C LYS A 109 7.042 6.714 5.591 1.00 0.00 C ATOM 893 O LYS A 109 7.824 6.253 6.423 1.00 0.00 O ATOM 894 CB LYS A 109 7.555 6.306 3.216 1.00 0.00 C ATOM 895 CG LYS A 109 7.423 6.874 1.807 1.00 0.00 C ATOM 896 CD LYS A 109 7.032 5.809 0.786 1.00 0.00 C ATOM 897 CE LYS A 109 8.042 4.660 0.695 1.00 0.00 C ATOM 898 NZ LYS A 109 9.210 5.078 -0.076 1.00 0.00 N ATOM 0 H LYS A 109 9.586 7.056 4.423 1.00 0.00 H new ATOM 0 HA LYS A 109 6.913 8.188 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.484 5.740 3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.741 5.602 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.675 7.667 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.369 7.328 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.054 5.405 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.932 6.274 -0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.348 4.354 1.696 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.577 3.793 0.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.772 4.242 -0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.899 5.567 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.791 5.723 0.497 1.00 0.00 H new ATOM 912 N ALA A 110 5.710 6.686 5.767 1.00 0.00 N ATOM 913 CA ALA A 110 5.147 6.103 6.953 1.00 0.00 C ATOM 914 C ALA A 110 5.016 4.643 6.695 1.00 0.00 C ATOM 915 O ALA A 110 4.342 4.221 5.764 1.00 0.00 O ATOM 916 CB ALA A 110 3.781 6.629 7.398 1.00 0.00 C ATOM 0 H ALA A 110 5.030 7.058 5.104 1.00 0.00 H new ATOM 0 HA ALA A 110 5.823 6.368 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.468 6.109 8.303 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.851 7.698 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.050 6.456 6.609 1.00 0.00 H new ATOM 922 N ARG A 111 5.688 3.820 7.517 1.00 0.00 N ATOM 923 CA ARG A 111 5.811 2.438 7.193 1.00 0.00 C ATOM 924 C ARG A 111 4.695 1.729 7.866 1.00 0.00 C ATOM 925 O ARG A 111 4.246 2.122 8.942 1.00 0.00 O ATOM 926 CB ARG A 111 7.146 1.892 7.675 1.00 0.00 C ATOM 927 CG ARG A 111 7.352 0.412 7.367 1.00 0.00 C ATOM 928 CD ARG A 111 7.186 -0.464 8.604 1.00 0.00 C ATOM 929 NE ARG A 111 7.241 -1.891 8.167 1.00 0.00 N ATOM 930 CZ ARG A 111 8.424 -2.462 7.801 1.00 0.00 C ATOM 931 NH1 ARG A 111 9.589 -1.803 7.964 1.00 0.00 N ATOM 932 NH2 ARG A 111 8.450 -3.735 7.345 1.00 0.00 N ATOM 0 H ARG A 111 6.137 4.104 8.388 1.00 0.00 H new ATOM 0 HA ARG A 111 5.768 2.294 6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.950 2.465 7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.223 2.044 8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.639 0.099 6.604 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.349 0.265 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.974 -0.256 9.327 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.237 -0.252 9.097 1.00 0.00 H new ATOM 0 HE ARG A 111 6.385 -2.444 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.593 -0.865 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.467 -2.242 7.686 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.584 -4.269 7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.336 -4.161 7.072 1.00 0.00 H new ATOM 946 N LEU A 112 4.235 0.648 7.222 1.00 0.00 N ATOM 947 CA LEU A 112 3.002 0.041 7.608 1.00 0.00 C ATOM 948 C LEU A 112 3.255 -1.407 7.829 1.00 0.00 C ATOM 949 O LEU A 112 4.387 -1.884 7.745 1.00 0.00 O ATOM 950 CB LEU A 112 1.948 0.149 6.506 1.00 0.00 C ATOM 951 CG LEU A 112 1.548 1.589 6.192 1.00 0.00 C ATOM 952 CD1 LEU A 112 0.723 1.713 4.911 1.00 0.00 C ATOM 953 CD2 LEU A 112 0.892 2.315 7.373 1.00 0.00 C ATOM 0 H LEU A 112 4.710 0.196 6.441 1.00 0.00 H new ATOM 0 HA LEU A 112 2.637 0.548 8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.331 -0.320 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.061 -0.410 6.805 1.00 0.00 H new ATOM 0 HG LEU A 112 2.489 2.107 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.469 2.759 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.303 1.339 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.192 1.129 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.635 3.332 7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.012 1.784 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.587 2.346 8.212 1.00 0.00 H new ATOM 965 N ASP A 113 2.157 -2.144 8.062 1.00 0.00 N ATOM 966 CA ASP A 113 2.246 -3.546 8.346 1.00 0.00 C ATOM 967 C ASP A 113 1.750 -4.281 7.144 1.00 0.00 C ATOM 968 O ASP A 113 0.910 -3.816 6.402 1.00 0.00 O ATOM 969 CB ASP A 113 1.435 -3.970 9.581 1.00 0.00 C ATOM 970 CG ASP A 113 1.856 -5.379 9.974 1.00 0.00 C ATOM 971 OD1 ASP A 113 2.986 -5.531 10.506 1.00 0.00 O ATOM 972 OD2 ASP A 113 1.078 -6.324 9.680 1.00 0.00 O ATOM 0 H ASP A 113 1.207 -1.773 8.055 1.00 0.00 H new ATOM 0 HA ASP A 113 3.286 -3.783 8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.610 -3.278 10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.368 -3.941 9.362 1.00 0.00 H new ATOM 977 N TRP A 114 2.231 -5.523 6.949 1.00 0.00 N ATOM 978 CA TRP A 114 1.833 -6.293 5.819 1.00 0.00 C ATOM 979 C TRP A 114 0.473 -6.882 6.092 1.00 0.00 C ATOM 980 O TRP A 114 -0.106 -7.557 5.247 1.00 0.00 O ATOM 981 CB TRP A 114 2.875 -7.397 5.533 1.00 0.00 C ATOM 982 CG TRP A 114 3.748 -7.110 4.333 1.00 0.00 C ATOM 983 CD1 TRP A 114 5.085 -7.278 4.124 1.00 0.00 C ATOM 984 CD2 TRP A 114 3.228 -6.506 3.152 1.00 0.00 C ATOM 985 NE1 TRP A 114 5.427 -6.793 2.871 1.00 0.00 N ATOM 986 CE2 TRP A 114 4.283 -6.304 2.260 1.00 0.00 C ATOM 987 CE3 TRP A 114 1.951 -6.171 2.894 1.00 0.00 C ATOM 988 CZ2 TRP A 114 3.977 -5.725 1.033 1.00 0.00 C ATOM 989 CZ3 TRP A 114 1.673 -5.548 1.706 1.00 0.00 C ATOM 990 CH2 TRP A 114 2.650 -5.400 0.747 1.00 0.00 C ATOM 0 H TRP A 114 2.891 -5.988 7.572 1.00 0.00 H new ATOM 0 HA TRP A 114 1.775 -5.660 4.934 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.509 -7.523 6.411 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.356 -8.343 5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.773 -7.722 4.828 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.363 -6.796 2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.166 -6.387 3.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.756 -5.529 0.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.679 -5.170 1.520 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.388 -5.030 -0.233 1.00 0.00 H new ATOM 1001 N ASN A 115 -0.137 -6.516 7.234 1.00 0.00 N ATOM 1002 CA ASN A 115 -1.502 -6.875 7.481 1.00 0.00 C ATOM 1003 C ASN A 115 -2.227 -5.609 7.796 1.00 0.00 C ATOM 1004 O ASN A 115 -3.260 -5.623 8.466 1.00 0.00 O ATOM 1005 CB ASN A 115 -1.606 -7.740 8.744 1.00 0.00 C ATOM 1006 CG ASN A 115 -2.679 -8.793 8.523 1.00 0.00 C ATOM 1007 OD1 ASN A 115 -2.381 -9.958 8.259 1.00 0.00 O ATOM 1008 ND2 ASN A 115 -3.955 -8.373 8.647 1.00 0.00 N ATOM 0 H ASN A 115 0.307 -5.978 7.979 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.901 -7.410 6.619 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.648 -8.215 8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.855 -7.122 9.607 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.723 -9.032 8.521 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.151 -7.397 8.867 1.00 0.00 H new ATOM 1015 N THR A 116 -1.696 -4.461 7.323 1.00 0.00 N ATOM 1016 CA THR A 116 -2.129 -3.206 7.853 1.00 0.00 C ATOM 1017 C THR A 116 -3.548 -2.953 7.404 1.00 0.00 C ATOM 1018 O THR A 116 -4.002 -3.434 6.363 1.00 0.00 O ATOM 1019 CB THR A 116 -1.157 -2.011 7.729 1.00 0.00 C ATOM 1020 OG1 THR A 116 -0.543 -1.749 8.983 1.00 0.00 O ATOM 1021 CG2 THR A 116 -1.814 -0.651 7.439 1.00 0.00 C ATOM 0 H THR A 116 -0.986 -4.404 6.593 1.00 0.00 H new ATOM 0 HA THR A 116 -2.117 -3.297 8.939 1.00 0.00 H new ATOM 0 HB THR A 116 -0.501 -2.321 6.915 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.191 -0.835 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.044 0.118 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.358 -0.704 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.506 -0.402 8.244 1.00 0.00 H new ATOM 1029 N ASP A 117 -4.298 -2.215 8.234 1.00 0.00 N ATOM 1030 CA ASP A 117 -5.627 -1.810 7.891 1.00 0.00 C ATOM 1031 C ASP A 117 -5.503 -0.659 6.943 1.00 0.00 C ATOM 1032 O ASP A 117 -5.455 0.489 7.367 1.00 0.00 O ATOM 1033 CB ASP A 117 -6.442 -1.375 9.125 1.00 0.00 C ATOM 1034 CG ASP A 117 -5.489 -0.791 10.165 1.00 0.00 C ATOM 1035 OD1 ASP A 117 -4.640 -1.559 10.697 1.00 0.00 O ATOM 1036 OD2 ASP A 117 -5.616 0.421 10.469 1.00 0.00 O ATOM 0 H ASP A 117 -3.984 -1.895 9.150 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.156 -2.652 7.445 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -7.190 -0.635 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.979 -2.227 9.542 1.00 0.00 H new ATOM 1041 N ALA A 118 -5.568 -0.977 5.632 1.00 0.00 N ATOM 1042 CA ALA A 118 -5.441 0.009 4.587 1.00 0.00 C ATOM 1043 C ALA A 118 -6.637 0.912 4.649 1.00 0.00 C ATOM 1044 O ALA A 118 -6.636 2.007 4.095 1.00 0.00 O ATOM 1045 CB ALA A 118 -5.538 -0.824 3.296 1.00 0.00 C ATOM 0 H ALA A 118 -5.710 -1.927 5.290 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.532 0.606 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.452 -0.166 2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.732 -1.558 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.498 -1.339 3.267 1.00 0.00 H new ATOM 1051 N ALA A 119 -7.642 0.515 5.452 1.00 0.00 N ATOM 1052 CA ALA A 119 -8.838 1.290 5.603 1.00 0.00 C ATOM 1053 C ALA A 119 -8.555 2.412 6.560 1.00 0.00 C ATOM 1054 O ALA A 119 -9.386 3.296 6.756 1.00 0.00 O ATOM 1055 CB ALA A 119 -9.651 0.213 6.343 1.00 0.00 C ATOM 0 H ALA A 119 -7.627 -0.346 5.999 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.276 1.727 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.644 0.599 6.571 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.741 -0.672 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.144 -0.053 7.270 1.00 0.00 H new ATOM 1061 N SER A 120 -7.345 2.432 7.158 1.00 0.00 N ATOM 1062 CA SER A 120 -6.980 3.522 8.022 1.00 0.00 C ATOM 1063 C SER A 120 -6.068 4.428 7.245 1.00 0.00 C ATOM 1064 O SER A 120 -5.781 5.545 7.671 1.00 0.00 O ATOM 1065 CB SER A 120 -6.257 3.084 9.303 1.00 0.00 C ATOM 1066 OG SER A 120 -6.038 4.205 10.153 1.00 0.00 O ATOM 0 H SER A 120 -6.632 1.711 7.048 1.00 0.00 H new ATOM 0 HA SER A 120 -7.900 4.013 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.850 2.333 9.825 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.304 2.619 9.050 1.00 0.00 H new ATOM 0 HG SER A 120 -5.977 5.019 9.611 1.00 0.00 H new ATOM 1072 N LEU A 121 -5.563 3.933 6.097 1.00 0.00 N ATOM 1073 CA LEU A 121 -4.721 4.729 5.246 1.00 0.00 C ATOM 1074 C LEU A 121 -5.570 5.151 4.112 1.00 0.00 C ATOM 1075 O LEU A 121 -5.080 5.613 3.085 1.00 0.00 O ATOM 1076 CB LEU A 121 -3.551 3.920 4.672 1.00 0.00 C ATOM 1077 CG LEU A 121 -2.699 3.251 5.751 1.00 0.00 C ATOM 1078 CD1 LEU A 121 -2.594 4.094 7.022 1.00 0.00 C ATOM 1079 CD2 LEU A 121 -3.260 1.901 6.190 1.00 0.00 C ATOM 0 H LEU A 121 -5.735 2.987 5.757 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.307 5.559 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.941 3.156 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.920 4.578 4.075 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.723 3.132 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.978 3.572 7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.139 5.055 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.590 4.256 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.616 1.471 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.263 2.038 6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.302 1.229 5.333 1.00 0.00 H new ATOM 1091 N ILE A 122 -6.883 4.977 4.311 1.00 0.00 N ATOM 1092 CA ILE A 122 -7.837 5.177 3.260 1.00 0.00 C ATOM 1093 C ILE A 122 -7.859 6.634 2.920 1.00 0.00 C ATOM 1094 O ILE A 122 -7.842 7.502 3.792 1.00 0.00 O ATOM 1095 CB ILE A 122 -9.245 4.669 3.605 1.00 0.00 C ATOM 1096 CG1 ILE A 122 -9.952 3.978 2.439 1.00 0.00 C ATOM 1097 CG2 ILE A 122 -10.189 5.718 4.222 1.00 0.00 C ATOM 1098 CD1 ILE A 122 -9.531 2.524 2.225 1.00 0.00 C ATOM 0 H ILE A 122 -7.291 4.696 5.203 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.524 4.584 2.400 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.036 3.931 4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.028 4.012 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.756 4.540 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.156 5.260 4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.759 6.093 5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.321 6.544 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.079 2.107 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.461 2.481 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.753 1.945 3.122 1.00 0.00 H new ATOM 1110 N GLY A 123 -7.862 6.910 1.606 1.00 0.00 N ATOM 1111 CA GLY A 123 -7.953 8.260 1.120 1.00 0.00 C ATOM 1112 C GLY A 123 -6.585 8.872 1.196 1.00 0.00 C ATOM 1113 O GLY A 123 -6.440 10.046 1.526 1.00 0.00 O ATOM 0 H GLY A 123 -7.802 6.202 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.320 8.272 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.661 8.834 1.718 1.00 0.00 H new ATOM 1117 N GLU A 124 -5.541 8.085 0.868 1.00 0.00 N ATOM 1118 CA GLU A 124 -4.200 8.582 0.962 1.00 0.00 C ATOM 1119 C GLU A 124 -3.449 8.060 -0.226 1.00 0.00 C ATOM 1120 O GLU A 124 -4.036 7.588 -1.200 1.00 0.00 O ATOM 1121 CB GLU A 124 -3.471 8.078 2.216 1.00 0.00 C ATOM 1122 CG GLU A 124 -4.211 8.383 3.525 1.00 0.00 C ATOM 1123 CD GLU A 124 -3.771 9.756 4.027 1.00 0.00 C ATOM 1124 OE1 GLU A 124 -3.275 10.576 3.205 1.00 0.00 O ATOM 1125 OE2 GLU A 124 -3.765 9.960 5.271 1.00 0.00 O ATOM 0 H GLU A 124 -5.622 7.121 0.543 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.243 9.670 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.327 7.001 2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.480 8.530 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.289 8.368 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.990 7.619 4.271 1.00 0.00 H new ATOM 1132 N GLU A 125 -2.105 8.084 -0.134 1.00 0.00 N ATOM 1133 CA GLU A 125 -1.284 7.537 -1.173 1.00 0.00 C ATOM 1134 C GLU A 125 -0.297 6.637 -0.519 1.00 0.00 C ATOM 1135 O GLU A 125 0.290 6.992 0.506 1.00 0.00 O ATOM 1136 CB GLU A 125 -0.515 8.595 -1.967 1.00 0.00 C ATOM 1137 CG GLU A 125 -1.366 9.251 -3.058 1.00 0.00 C ATOM 1138 CD GLU A 125 -1.133 10.760 -3.035 1.00 0.00 C ATOM 1139 OE1 GLU A 125 -0.205 11.235 -2.318 1.00 0.00 O ATOM 1140 OE2 GLU A 125 -1.914 11.483 -3.713 1.00 0.00 O ATOM 0 H GLU A 125 -1.590 8.479 0.653 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.934 7.024 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.152 9.363 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.361 8.135 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.103 8.845 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.421 9.031 -2.895 1.00 0.00 H new ATOM 1147 N LEU A 126 -0.099 5.445 -1.109 1.00 0.00 N ATOM 1148 CA LEU A 126 0.804 4.492 -0.539 1.00 0.00 C ATOM 1149 C LEU A 126 1.926 4.281 -1.503 1.00 0.00 C ATOM 1150 O LEU A 126 1.853 4.660 -2.670 1.00 0.00 O ATOM 1151 CB LEU A 126 0.175 3.124 -0.247 1.00 0.00 C ATOM 1152 CG LEU A 126 -0.518 3.053 1.113 1.00 0.00 C ATOM 1153 CD1 LEU A 126 -1.977 3.484 1.072 1.00 0.00 C ATOM 1154 CD2 LEU A 126 -0.310 1.718 1.829 1.00 0.00 C ATOM 0 H LEU A 126 -0.557 5.143 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 126 1.129 4.903 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.549 2.891 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.950 2.359 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 126 -0.012 3.798 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.407 3.409 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.042 4.515 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.529 2.837 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.828 1.735 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.708 0.910 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.755 1.556 1.995 1.00 0.00 H new ATOM 1166 N GLN A 127 2.989 3.615 -1.014 1.00 0.00 N ATOM 1167 CA GLN A 127 4.075 3.229 -1.863 1.00 0.00 C ATOM 1168 C GLN A 127 4.462 1.849 -1.454 1.00 0.00 C ATOM 1169 O GLN A 127 4.127 1.398 -0.360 1.00 0.00 O ATOM 1170 CB GLN A 127 5.337 4.094 -1.688 1.00 0.00 C ATOM 1171 CG GLN A 127 6.048 4.435 -3.006 1.00 0.00 C ATOM 1172 CD GLN A 127 7.537 4.591 -2.726 1.00 0.00 C ATOM 1173 OE1 GLN A 127 8.021 5.693 -2.463 1.00 0.00 O ATOM 1174 NE2 GLN A 127 8.295 3.466 -2.791 1.00 0.00 N ATOM 0 H GLN A 127 3.096 3.345 -0.036 1.00 0.00 H new ATOM 0 HA GLN A 127 3.738 3.328 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 127 5.063 5.021 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.036 3.571 -1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.881 3.648 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.643 5.355 -3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.860 2.570 -3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.299 3.517 -2.619 1.00 0.00 H new ATOM 1183 N VAL A 128 5.231 1.166 -2.316 1.00 0.00 N ATOM 1184 CA VAL A 128 5.872 -0.047 -1.911 1.00 0.00 C ATOM 1185 C VAL A 128 7.324 0.122 -2.223 1.00 0.00 C ATOM 1186 O VAL A 128 7.689 0.827 -3.162 1.00 0.00 O ATOM 1187 CB VAL A 128 5.299 -1.298 -2.597 1.00 0.00 C ATOM 1188 CG1 VAL A 128 6.182 -2.541 -2.452 1.00 0.00 C ATOM 1189 CG2 VAL A 128 3.940 -1.729 -2.027 1.00 0.00 C ATOM 0 H VAL A 128 5.409 1.446 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 128 5.701 -0.214 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 128 5.226 -0.980 -3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.712 -3.382 -2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.159 -2.347 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.304 -2.779 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.590 -2.617 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.045 -1.954 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.219 -0.922 -2.157 1.00 0.00 H new ATOM 1199 N ASP A 129 8.192 -0.449 -1.368 1.00 0.00 N ATOM 1200 CA ASP A 129 9.603 -0.255 -1.515 1.00 0.00 C ATOM 1201 C ASP A 129 10.254 -1.573 -1.228 1.00 0.00 C ATOM 1202 O ASP A 129 9.596 -2.609 -1.199 1.00 0.00 O ATOM 1203 CB ASP A 129 10.130 0.795 -0.513 1.00 0.00 C ATOM 1204 CG ASP A 129 10.949 1.822 -1.278 1.00 0.00 C ATOM 1205 OD1 ASP A 129 11.933 1.409 -1.946 1.00 0.00 O ATOM 1206 OD2 ASP A 129 10.594 3.031 -1.205 1.00 0.00 O ATOM 0 H ASP A 129 7.921 -1.040 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 129 9.826 0.103 -2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.299 1.279 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.742 0.316 0.251 1.00 0.00 H new ATOM 1211 N PHE A 130 11.576 -1.559 -0.965 1.00 0.00 N ATOM 1212 CA PHE A 130 12.269 -2.771 -0.638 1.00 0.00 C ATOM 1213 C PHE A 130 11.857 -3.170 0.754 1.00 0.00 C ATOM 1214 O PHE A 130 11.184 -2.418 1.454 1.00 0.00 O ATOM 1215 CB PHE A 130 13.804 -2.640 -0.711 1.00 0.00 C ATOM 1216 CG PHE A 130 14.193 -1.342 -0.082 1.00 0.00 C ATOM 1217 CD1 PHE A 130 14.478 -1.267 1.286 1.00 0.00 C ATOM 1218 CD2 PHE A 130 14.333 -0.188 -0.839 1.00 0.00 C ATOM 1219 CE1 PHE A 130 14.824 -0.065 1.876 1.00 0.00 C ATOM 1220 CE2 PHE A 130 14.677 1.015 -0.246 1.00 0.00 C ATOM 1221 CZ PHE A 130 14.920 1.079 1.110 1.00 0.00 C ATOM 0 H PHE A 130 12.158 -0.722 -0.978 1.00 0.00 H new ATOM 0 HA PHE A 130 11.998 -3.527 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.281 -3.472 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.140 -2.676 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.427 -2.161 1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.171 -0.228 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.019 -0.022 2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.755 1.908 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.184 2.020 1.570 1.00 0.00 H new