USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot -94:sc= 0.707 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.0025) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0431) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0015) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= -0.0271 (180deg=-0.395) USER MOD Single : A 41 MET CE :methyl -137:sc= -0.148 (180deg=-0.658) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 43:sc= 0.263 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= 0.732 F(o=0.14,f=0.73) USER MOD Single : A 69 LYS NZ :NH3+ -164:sc= -0.0674 (180deg=-0.373) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= -0.0678 (180deg=-0.0795) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= -0.0475 (180deg=-0.32) USER MOD Single : A 90 THR OG1 : rot 70:sc= 1.17 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0567 (180deg=-0.29) USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0478 (180deg=-0.354) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= -0.014 (180deg=-0.157) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= -0.0064 (180deg=-0.146) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -150:sc= -0.0615 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 4.467 -13.416 -0.037 1.00 0.88 N ATOM 18 CA ARG A 22 4.282 -12.402 -1.064 1.00 0.73 C ATOM 19 C ARG A 22 3.618 -11.168 -0.471 1.00 0.55 C ATOM 20 O ARG A 22 2.402 -11.130 -0.290 1.00 0.56 O ATOM 21 CB ARG A 22 3.437 -12.951 -2.220 1.00 0.86 C ATOM 22 CG ARG A 22 4.128 -14.033 -3.033 1.00 1.33 C ATOM 23 CD ARG A 22 5.330 -13.487 -3.784 1.00 1.33 C ATOM 24 NE ARG A 22 4.952 -12.477 -4.775 1.00 1.91 N ATOM 25 CZ ARG A 22 5.745 -11.476 -5.163 1.00 2.43 C ATOM 26 NH1 ARG A 22 6.942 -11.319 -4.611 1.00 2.62 N ATOM 27 NH2 ARG A 22 5.343 -10.628 -6.102 1.00 3.31 N ATOM 0 HA ARG A 22 5.262 -12.124 -1.453 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.507 -13.352 -1.818 1.00 0.86 H new ATOM 0 HB3 ARG A 22 3.169 -12.128 -2.883 1.00 0.86 H new ATOM 0 HG2 ARG A 22 4.447 -14.838 -2.371 1.00 1.33 H new ATOM 0 HG3 ARG A 22 3.421 -14.464 -3.742 1.00 1.33 H new ATOM 0 HD2 ARG A 22 6.033 -13.051 -3.074 1.00 1.33 H new ATOM 0 HD3 ARG A 22 5.848 -14.307 -4.282 1.00 1.33 H new ATOM 0 HE ARG A 22 4.025 -12.543 -5.195 1.00 1.91 H new ATOM 0 HH11 ARG A 22 7.259 -11.965 -3.888 1.00 2.62 H new ATOM 0 HH12 ARG A 22 7.545 -10.553 -4.910 1.00 2.62 H new ATOM 0 HH21 ARG A 22 4.424 -10.740 -6.531 1.00 3.31 H new ATOM 0 HH22 ARG A 22 5.953 -9.865 -6.395 1.00 3.31 H new ATOM 41 N LEU A 23 4.424 -10.173 -0.141 1.00 0.51 N ATOM 42 CA LEU A 23 3.903 -8.926 0.395 1.00 0.43 C ATOM 43 C LEU A 23 3.606 -7.953 -0.731 1.00 0.37 C ATOM 44 O LEU A 23 4.440 -7.736 -1.613 1.00 0.40 O ATOM 45 CB LEU A 23 4.886 -8.289 1.384 1.00 0.58 C ATOM 46 CG LEU A 23 5.067 -9.026 2.715 1.00 1.05 C ATOM 47 CD1 LEU A 23 3.726 -9.489 3.257 1.00 1.76 C ATOM 48 CD2 LEU A 23 6.028 -10.195 2.567 1.00 1.55 C ATOM 0 H LEU A 23 5.439 -10.204 -0.234 1.00 0.51 H new ATOM 0 HA LEU A 23 2.981 -9.154 0.929 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.859 -8.210 0.899 1.00 0.58 H new ATOM 0 HB3 LEU A 23 4.552 -7.273 1.596 1.00 0.58 H new ATOM 0 HG LEU A 23 5.501 -8.329 3.432 1.00 1.05 H new ATOM 0 HD11 LEU A 23 3.876 -10.010 4.203 1.00 1.76 H new ATOM 0 HD12 LEU A 23 3.080 -8.625 3.417 1.00 1.76 H new ATOM 0 HD13 LEU A 23 3.258 -10.164 2.541 1.00 1.76 H new ATOM 0 HD21 LEU A 23 6.138 -10.700 3.527 1.00 1.55 H new ATOM 0 HD22 LEU A 23 5.637 -10.897 1.831 1.00 1.55 H new ATOM 0 HD23 LEU A 23 7.000 -9.828 2.237 1.00 1.55 H new ATOM 60 N VAL A 24 2.417 -7.377 -0.702 1.00 0.35 N ATOM 61 CA VAL A 24 1.994 -6.455 -1.740 1.00 0.37 C ATOM 62 C VAL A 24 1.865 -5.046 -1.178 1.00 0.38 C ATOM 63 O VAL A 24 1.196 -4.829 -0.169 1.00 0.42 O ATOM 64 CB VAL A 24 0.646 -6.884 -2.359 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.264 -5.972 -3.516 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.700 -8.336 -2.816 1.00 0.45 C ATOM 0 H VAL A 24 1.726 -7.533 0.032 1.00 0.35 H new ATOM 0 HA VAL A 24 2.755 -6.469 -2.520 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.121 -6.795 -1.590 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.689 -6.295 -3.935 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.173 -4.947 -3.157 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.034 -6.020 -4.286 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.260 -8.617 -3.249 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.484 -8.453 -3.564 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.915 -8.978 -1.962 1.00 0.45 H new ATOM 76 N VAL A 25 2.521 -4.098 -1.823 1.00 0.39 N ATOM 77 CA VAL A 25 2.455 -2.710 -1.419 1.00 0.41 C ATOM 78 C VAL A 25 1.809 -1.876 -2.515 1.00 0.39 C ATOM 79 O VAL A 25 2.284 -1.846 -3.650 1.00 0.42 O ATOM 80 CB VAL A 25 3.853 -2.139 -1.119 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.744 -0.695 -0.673 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.567 -2.976 -0.065 1.00 0.52 C ATOM 0 H VAL A 25 3.111 -4.270 -2.637 1.00 0.39 H new ATOM 0 HA VAL A 25 1.857 -2.665 -0.509 1.00 0.41 H new ATOM 0 HB VAL A 25 4.444 -2.177 -2.034 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.739 -0.303 -0.464 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.280 -0.104 -1.463 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.135 -0.638 0.229 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.552 -2.553 0.130 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.984 -2.976 0.856 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.676 -3.999 -0.425 1.00 0.52 H new ATOM 92 N LEU A 26 0.725 -1.210 -2.176 1.00 0.40 N ATOM 93 CA LEU A 26 0.029 -0.368 -3.126 1.00 0.38 C ATOM 94 C LEU A 26 0.018 1.070 -2.632 1.00 0.37 C ATOM 95 O LEU A 26 -0.650 1.406 -1.654 1.00 0.48 O ATOM 96 CB LEU A 26 -1.382 -0.913 -3.363 1.00 0.46 C ATOM 97 CG LEU A 26 -1.403 -2.230 -4.147 1.00 0.56 C ATOM 98 CD1 LEU A 26 -2.750 -2.915 -4.053 1.00 1.15 C ATOM 99 CD2 LEU A 26 -1.053 -1.974 -5.599 1.00 1.33 C ATOM 0 H LEU A 26 0.306 -1.236 -1.246 1.00 0.40 H new ATOM 0 HA LEU A 26 0.549 -0.377 -4.084 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.871 -1.064 -2.401 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.965 -0.168 -3.904 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.660 -2.893 -3.704 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -2.726 -3.845 -4.621 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -2.975 -3.133 -3.009 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -3.520 -2.261 -4.461 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -1.070 -2.915 -6.149 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -1.780 -1.287 -6.033 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -0.057 -1.536 -5.661 1.00 1.33 H new ATOM 111 N ILE A 27 0.781 1.909 -3.314 1.00 0.33 N ATOM 112 CA ILE A 27 1.018 3.273 -2.864 1.00 0.36 C ATOM 113 C ILE A 27 0.265 4.277 -3.733 1.00 0.39 C ATOM 114 O ILE A 27 0.362 4.248 -4.961 1.00 0.40 O ATOM 115 CB ILE A 27 2.535 3.596 -2.859 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.782 5.077 -2.553 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.179 3.210 -4.185 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.241 5.413 -2.332 1.00 1.36 C ATOM 0 H ILE A 27 1.250 1.668 -4.187 1.00 0.33 H new ATOM 0 HA ILE A 27 0.643 3.356 -1.844 1.00 0.36 H new ATOM 0 HB ILE A 27 2.997 3.004 -2.069 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.400 5.679 -3.378 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.215 5.356 -1.665 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.243 3.447 -4.155 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.050 2.141 -4.355 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.706 3.766 -4.995 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.341 6.478 -2.120 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.623 4.838 -1.489 1.00 1.36 H new ATOM 0 HD13 ILE A 27 4.811 5.166 -3.228 1.00 1.36 H new ATOM 130 N VAL A 28 -0.497 5.152 -3.089 1.00 0.48 N ATOM 131 CA VAL A 28 -1.261 6.170 -3.792 1.00 0.56 C ATOM 132 C VAL A 28 -0.657 7.547 -3.542 1.00 0.86 C ATOM 133 O VAL A 28 -0.930 8.180 -2.518 1.00 1.37 O ATOM 134 CB VAL A 28 -2.734 6.183 -3.327 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.540 7.211 -4.104 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.354 4.803 -3.461 1.00 1.17 C ATOM 0 H VAL A 28 -0.601 5.175 -2.075 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.225 5.933 -4.855 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.752 6.464 -2.274 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.573 7.200 -3.758 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.115 8.202 -3.946 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.511 6.969 -5.166 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.391 4.836 -3.128 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.318 4.488 -4.504 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.799 4.093 -2.848 1.00 1.17 H new ATOM 146 N SER A 29 0.180 7.988 -4.470 1.00 0.85 N ATOM 147 CA SER A 29 0.754 9.325 -4.433 1.00 1.25 C ATOM 148 C SER A 29 1.548 9.554 -5.708 1.00 0.83 C ATOM 149 O SER A 29 2.227 8.641 -6.182 1.00 1.53 O ATOM 150 CB SER A 29 1.662 9.492 -3.210 1.00 2.38 C ATOM 151 OG SER A 29 1.886 10.862 -2.911 1.00 3.23 O ATOM 0 H SER A 29 0.480 7.430 -5.269 1.00 0.85 H new ATOM 0 HA SER A 29 -0.049 10.059 -4.359 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.209 9.000 -2.349 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.616 8.998 -3.394 1.00 2.38 H new ATOM 0 HG SER A 29 2.717 11.158 -3.338 1.00 3.23 H new ATOM 157 N ASN A 30 1.478 10.746 -6.275 1.00 1.19 N ATOM 158 CA ASN A 30 2.293 11.042 -7.439 1.00 1.67 C ATOM 159 C ASN A 30 3.454 11.943 -7.037 1.00 1.19 C ATOM 160 O ASN A 30 3.392 13.169 -7.160 1.00 1.38 O ATOM 161 CB ASN A 30 1.445 11.704 -8.528 1.00 2.93 C ATOM 162 CG ASN A 30 2.179 11.832 -9.850 1.00 3.86 C ATOM 163 OD1 ASN A 30 2.841 12.835 -10.118 1.00 4.32 O ATOM 164 ND2 ASN A 30 2.064 10.814 -10.690 1.00 4.58 N ATOM 0 H ASN A 30 0.880 11.509 -5.957 1.00 1.19 H new ATOM 0 HA ASN A 30 2.694 10.112 -7.841 1.00 1.67 H new ATOM 0 HB2 ASN A 30 0.536 11.122 -8.678 1.00 2.93 H new ATOM 0 HB3 ASN A 30 1.138 12.694 -8.191 1.00 2.93 H new ATOM 0 HD21 ASN A 30 2.533 10.844 -11.595 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.506 10.000 -10.432 1.00 4.58 H new ATOM 171 N ASP A 31 4.504 11.312 -6.532 1.00 1.45 N ATOM 172 CA ASP A 31 5.745 11.995 -6.187 1.00 1.18 C ATOM 173 C ASP A 31 6.907 11.329 -6.898 1.00 0.94 C ATOM 174 O ASP A 31 6.763 10.226 -7.422 1.00 1.28 O ATOM 175 CB ASP A 31 5.992 11.979 -4.675 1.00 1.61 C ATOM 176 CG ASP A 31 5.053 12.885 -3.909 1.00 1.74 C ATOM 177 OD1 ASP A 31 5.471 14.001 -3.538 1.00 2.03 O ATOM 178 OD2 ASP A 31 3.899 12.482 -3.660 1.00 2.29 O ATOM 0 H ASP A 31 4.521 10.309 -6.349 1.00 1.45 H new ATOM 0 HA ASP A 31 5.659 13.034 -6.505 1.00 1.18 H new ATOM 0 HB2 ASP A 31 5.884 10.959 -4.306 1.00 1.61 H new ATOM 0 HB3 ASP A 31 7.020 12.282 -4.478 1.00 1.61 H new ATOM 183 N LYS A 32 8.056 11.979 -6.911 1.00 0.79 N ATOM 184 CA LYS A 32 9.248 11.362 -7.467 1.00 0.82 C ATOM 185 C LYS A 32 10.037 10.630 -6.382 1.00 0.66 C ATOM 186 O LYS A 32 10.052 9.402 -6.340 1.00 0.68 O ATOM 187 CB LYS A 32 10.136 12.400 -8.166 1.00 1.24 C ATOM 188 CG LYS A 32 9.432 13.158 -9.286 1.00 1.77 C ATOM 189 CD LYS A 32 8.833 12.220 -10.328 1.00 2.22 C ATOM 190 CE LYS A 32 9.889 11.358 -11.007 1.00 3.17 C ATOM 191 NZ LYS A 32 10.849 12.164 -11.803 1.00 3.77 N ATOM 0 H LYS A 32 8.190 12.923 -6.548 1.00 0.79 H new ATOM 0 HA LYS A 32 8.927 10.634 -8.212 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.495 13.115 -7.426 1.00 1.24 H new ATOM 0 HB3 LYS A 32 11.013 11.898 -8.575 1.00 1.24 H new ATOM 0 HG2 LYS A 32 8.643 13.779 -8.862 1.00 1.77 H new ATOM 0 HG3 LYS A 32 10.141 13.830 -9.769 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.094 11.576 -9.851 1.00 2.22 H new ATOM 0 HD3 LYS A 32 8.307 12.806 -11.081 1.00 2.22 H new ATOM 0 HE2 LYS A 32 10.433 10.791 -10.251 1.00 3.17 H new ATOM 0 HE3 LYS A 32 9.400 10.633 -11.658 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 11.496 11.529 -12.313 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 10.328 12.750 -12.486 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 11.397 12.778 -11.168 1.00 3.77 H new ATOM 205 N LYS A 33 10.643 11.395 -5.476 1.00 0.71 N ATOM 206 CA LYS A 33 11.567 10.839 -4.482 1.00 0.75 C ATOM 207 C LYS A 33 10.863 9.910 -3.496 1.00 0.68 C ATOM 208 O LYS A 33 11.495 9.053 -2.881 1.00 0.78 O ATOM 209 CB LYS A 33 12.292 11.960 -3.726 1.00 0.95 C ATOM 210 CG LYS A 33 11.412 12.766 -2.777 1.00 1.45 C ATOM 211 CD LYS A 33 12.212 13.867 -2.091 1.00 1.86 C ATOM 212 CE LYS A 33 11.433 14.527 -0.961 1.00 2.71 C ATOM 213 NZ LYS A 33 10.202 15.217 -1.438 1.00 3.23 N ATOM 0 H LYS A 33 10.512 12.404 -5.408 1.00 0.71 H new ATOM 0 HA LYS A 33 12.300 10.245 -5.028 1.00 0.75 H new ATOM 0 HB2 LYS A 33 13.112 11.523 -3.156 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.736 12.640 -4.453 1.00 0.95 H new ATOM 0 HG2 LYS A 33 10.582 13.206 -3.330 1.00 1.45 H new ATOM 0 HG3 LYS A 33 10.980 12.104 -2.026 1.00 1.45 H new ATOM 0 HD2 LYS A 33 13.137 13.448 -1.696 1.00 1.86 H new ATOM 0 HD3 LYS A 33 12.492 14.622 -2.826 1.00 1.86 H new ATOM 0 HE2 LYS A 33 11.159 13.772 -0.225 1.00 2.71 H new ATOM 0 HE3 LYS A 33 12.075 15.247 -0.455 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 9.719 15.663 -0.632 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 10.460 15.946 -2.133 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 9.566 14.524 -1.882 1.00 3.23 H new ATOM 227 N LEU A 34 9.561 10.077 -3.347 1.00 0.61 N ATOM 228 CA LEU A 34 8.800 9.249 -2.429 1.00 0.64 C ATOM 229 C LEU A 34 8.499 7.900 -3.079 1.00 0.53 C ATOM 230 O LEU A 34 8.477 6.868 -2.414 1.00 0.62 O ATOM 231 CB LEU A 34 7.506 9.975 -2.024 1.00 0.70 C ATOM 232 CG LEU A 34 6.796 9.466 -0.758 1.00 0.82 C ATOM 233 CD1 LEU A 34 5.930 8.254 -1.060 1.00 1.39 C ATOM 234 CD2 LEU A 34 7.805 9.133 0.330 1.00 1.38 C ATOM 0 H LEU A 34 9.011 10.775 -3.847 1.00 0.61 H new ATOM 0 HA LEU A 34 9.384 9.068 -1.527 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.738 11.031 -1.883 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.805 9.911 -2.856 1.00 0.70 H new ATOM 0 HG LEU A 34 6.148 10.266 -0.400 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.442 7.918 -0.145 1.00 1.39 H new ATOM 0 HD12 LEU A 34 5.173 8.522 -1.797 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.553 7.451 -1.454 1.00 1.39 H new ATOM 0 HD21 LEU A 34 7.280 8.775 1.216 1.00 1.38 H new ATOM 0 HD22 LEU A 34 8.483 8.358 -0.028 1.00 1.38 H new ATOM 0 HD23 LEU A 34 8.376 10.027 0.583 1.00 1.38 H new ATOM 246 N ILE A 35 8.308 7.916 -4.390 1.00 0.43 N ATOM 247 CA ILE A 35 7.946 6.712 -5.125 1.00 0.43 C ATOM 248 C ILE A 35 9.189 5.931 -5.547 1.00 0.46 C ATOM 249 O ILE A 35 9.265 4.723 -5.337 1.00 0.52 O ATOM 250 CB ILE A 35 7.076 7.043 -6.368 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.606 7.229 -5.974 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.193 5.957 -7.427 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.348 8.401 -5.059 1.00 0.97 C ATOM 0 H ILE A 35 8.398 8.751 -4.968 1.00 0.43 H new ATOM 0 HA ILE A 35 7.355 6.090 -4.452 1.00 0.43 H new ATOM 0 HB ILE A 35 7.449 7.977 -6.787 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.013 7.354 -6.880 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.256 6.319 -5.486 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.573 6.217 -8.285 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.232 5.868 -7.744 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.858 5.006 -7.012 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.283 8.458 -4.832 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.910 8.271 -4.134 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.664 9.322 -5.549 1.00 0.97 H new ATOM 265 N GLU A 36 10.165 6.630 -6.119 1.00 0.51 N ATOM 266 CA GLU A 36 11.380 5.994 -6.626 1.00 0.62 C ATOM 267 C GLU A 36 12.110 5.235 -5.528 1.00 0.63 C ATOM 268 O GLU A 36 12.444 4.063 -5.689 1.00 0.64 O ATOM 269 CB GLU A 36 12.317 7.037 -7.235 1.00 0.79 C ATOM 270 CG GLU A 36 11.726 7.772 -8.426 1.00 0.87 C ATOM 271 CD GLU A 36 12.688 8.783 -9.011 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.410 8.438 -9.971 1.00 2.22 O ATOM 273 OE2 GLU A 36 12.733 9.925 -8.508 1.00 2.42 O ATOM 0 H GLU A 36 10.139 7.642 -6.244 1.00 0.51 H new ATOM 0 HA GLU A 36 11.079 5.283 -7.396 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.584 7.764 -6.468 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.240 6.546 -7.544 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.449 7.050 -9.194 1.00 0.87 H new ATOM 0 HG3 GLU A 36 10.811 8.279 -8.120 1.00 0.87 H new ATOM 280 N GLU A 37 12.349 5.900 -4.412 1.00 0.68 N ATOM 281 CA GLU A 37 13.087 5.293 -3.315 1.00 0.77 C ATOM 282 C GLU A 37 12.287 4.165 -2.668 1.00 0.71 C ATOM 283 O GLU A 37 12.856 3.145 -2.275 1.00 0.79 O ATOM 284 CB GLU A 37 13.479 6.354 -2.286 1.00 0.91 C ATOM 285 CG GLU A 37 14.748 7.118 -2.649 1.00 1.41 C ATOM 286 CD GLU A 37 14.744 7.663 -4.068 1.00 1.84 C ATOM 287 OE1 GLU A 37 14.250 8.789 -4.285 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.254 6.968 -4.977 1.00 2.53 O ATOM 0 H GLU A 37 12.044 6.858 -4.240 1.00 0.68 H new ATOM 0 HA GLU A 37 14.000 4.855 -3.719 1.00 0.77 H new ATOM 0 HB2 GLU A 37 12.658 7.062 -2.176 1.00 0.91 H new ATOM 0 HB3 GLU A 37 13.618 5.874 -1.317 1.00 0.91 H new ATOM 0 HG2 GLU A 37 14.876 7.945 -1.951 1.00 1.41 H new ATOM 0 HG3 GLU A 37 15.607 6.459 -2.524 1.00 1.41 H new ATOM 295 N ALA A 38 10.972 4.338 -2.577 1.00 0.61 N ATOM 296 CA ALA A 38 10.105 3.283 -2.065 1.00 0.60 C ATOM 297 C ALA A 38 10.137 2.078 -3.000 1.00 0.54 C ATOM 298 O ALA A 38 10.233 0.936 -2.557 1.00 0.59 O ATOM 299 CB ALA A 38 8.681 3.789 -1.896 1.00 0.60 C ATOM 0 H ALA A 38 10.486 5.193 -2.849 1.00 0.61 H new ATOM 0 HA ALA A 38 10.474 2.977 -1.086 1.00 0.60 H new ATOM 0 HB1 ALA A 38 8.052 2.985 -1.513 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.672 4.623 -1.194 1.00 0.60 H new ATOM 0 HB3 ALA A 38 8.297 4.122 -2.860 1.00 0.60 H new ATOM 305 N ARG A 39 10.069 2.360 -4.296 1.00 0.49 N ATOM 306 CA ARG A 39 10.161 1.341 -5.335 1.00 0.53 C ATOM 307 C ARG A 39 11.444 0.528 -5.186 1.00 0.56 C ATOM 308 O ARG A 39 11.415 -0.706 -5.205 1.00 0.59 O ATOM 309 CB ARG A 39 10.117 2.017 -6.710 1.00 0.60 C ATOM 310 CG ARG A 39 10.395 1.087 -7.877 1.00 0.88 C ATOM 311 CD ARG A 39 10.358 1.836 -9.197 1.00 0.95 C ATOM 312 NE ARG A 39 10.726 0.984 -10.323 1.00 1.37 N ATOM 313 CZ ARG A 39 10.531 1.311 -11.598 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.935 2.456 -11.912 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.929 0.491 -12.559 1.00 2.73 N ATOM 0 H ARG A 39 9.948 3.306 -4.657 1.00 0.49 H new ATOM 0 HA ARG A 39 9.318 0.657 -5.237 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.135 2.469 -6.848 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.846 2.828 -6.726 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.371 0.620 -7.748 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.657 0.285 -7.890 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.357 2.236 -9.358 1.00 0.95 H new ATOM 0 HD3 ARG A 39 11.038 2.687 -9.150 1.00 0.95 H new ATOM 0 HE ARG A 39 11.159 0.083 -10.120 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.625 3.089 -11.174 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.788 2.703 -12.891 1.00 2.23 H new ATOM 0 HH21 ARG A 39 11.384 -0.390 -12.321 1.00 2.73 H new ATOM 0 HH22 ARG A 39 10.780 0.741 -13.537 1.00 2.73 H new ATOM 329 N LYS A 40 12.559 1.234 -5.023 1.00 0.59 N ATOM 330 CA LYS A 40 13.863 0.602 -4.852 1.00 0.67 C ATOM 331 C LYS A 40 13.881 -0.284 -3.611 1.00 0.65 C ATOM 332 O LYS A 40 14.232 -1.461 -3.681 1.00 0.71 O ATOM 333 CB LYS A 40 14.957 1.667 -4.739 1.00 0.78 C ATOM 334 CG LYS A 40 15.100 2.542 -5.974 1.00 0.83 C ATOM 335 CD LYS A 40 16.282 3.489 -5.840 1.00 1.29 C ATOM 336 CE LYS A 40 16.380 4.435 -7.025 1.00 1.82 C ATOM 337 NZ LYS A 40 15.219 5.359 -7.092 1.00 2.52 N ATOM 0 H LYS A 40 12.585 2.254 -5.006 1.00 0.59 H new ATOM 0 HA LYS A 40 14.053 -0.020 -5.727 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.744 2.302 -3.879 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.910 1.175 -4.543 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.231 1.914 -6.855 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.186 3.116 -6.125 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.184 4.066 -4.921 1.00 1.29 H new ATOM 0 HD3 LYS A 40 17.203 2.912 -5.757 1.00 1.29 H new ATOM 0 HE2 LYS A 40 17.301 5.014 -6.953 1.00 1.82 H new ATOM 0 HE3 LYS A 40 16.438 3.857 -7.947 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 15.415 6.114 -7.780 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 14.373 4.832 -7.388 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 15.055 5.779 -6.155 1.00 2.52 H new ATOM 351 N MET A 41 13.484 0.288 -2.479 1.00 0.64 N ATOM 352 CA MET A 41 13.487 -0.434 -1.210 1.00 0.68 C ATOM 353 C MET A 41 12.578 -1.657 -1.267 1.00 0.63 C ATOM 354 O MET A 41 12.889 -2.699 -0.690 1.00 0.67 O ATOM 355 CB MET A 41 13.041 0.484 -0.068 1.00 0.82 C ATOM 356 CG MET A 41 14.011 1.615 0.239 1.00 0.99 C ATOM 357 SD MET A 41 15.604 1.028 0.851 1.00 1.64 S ATOM 358 CE MET A 41 15.112 0.224 2.376 1.00 2.61 C ATOM 0 H MET A 41 13.155 1.251 -2.414 1.00 0.64 H new ATOM 0 HA MET A 41 14.508 -0.769 -1.025 1.00 0.68 H new ATOM 0 HB2 MET A 41 12.070 0.911 -0.319 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.903 -0.115 0.832 1.00 0.82 H new ATOM 0 HG2 MET A 41 14.170 2.206 -0.663 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.565 2.278 0.980 1.00 0.99 H new ATOM 0 HE1 MET A 41 15.817 0.480 3.166 1.00 2.61 H new ATOM 0 HE2 MET A 41 14.114 0.558 2.658 1.00 2.61 H new ATOM 0 HE3 MET A 41 15.105 -0.856 2.232 1.00 2.61 H new ATOM 368 N ALA A 42 11.465 -1.527 -1.975 1.00 0.60 N ATOM 369 CA ALA A 42 10.475 -2.591 -2.056 1.00 0.64 C ATOM 370 C ALA A 42 10.983 -3.780 -2.861 1.00 0.61 C ATOM 371 O ALA A 42 10.879 -4.923 -2.415 1.00 0.66 O ATOM 372 CB ALA A 42 9.185 -2.068 -2.659 1.00 0.75 C ATOM 0 H ALA A 42 11.224 -0.689 -2.505 1.00 0.60 H new ATOM 0 HA ALA A 42 10.284 -2.936 -1.040 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.455 -2.876 -2.713 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.792 -1.264 -2.036 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.380 -1.688 -3.662 1.00 0.75 H new ATOM 378 N GLU A 43 11.539 -3.521 -4.040 1.00 0.62 N ATOM 379 CA GLU A 43 11.989 -4.608 -4.904 1.00 0.75 C ATOM 380 C GLU A 43 13.186 -5.329 -4.293 1.00 0.71 C ATOM 381 O GLU A 43 13.344 -6.536 -4.461 1.00 0.79 O ATOM 382 CB GLU A 43 12.327 -4.107 -6.313 1.00 0.93 C ATOM 383 CG GLU A 43 13.379 -3.012 -6.358 1.00 1.33 C ATOM 384 CD GLU A 43 13.837 -2.716 -7.769 1.00 1.88 C ATOM 385 OE1 GLU A 43 14.990 -3.056 -8.104 1.00 2.39 O ATOM 386 OE2 GLU A 43 13.039 -2.174 -8.560 1.00 2.57 O ATOM 0 H GLU A 43 11.688 -2.584 -4.415 1.00 0.62 H new ATOM 0 HA GLU A 43 11.165 -5.316 -4.991 1.00 0.75 H new ATOM 0 HB2 GLU A 43 12.673 -4.950 -6.911 1.00 0.93 H new ATOM 0 HB3 GLU A 43 11.415 -3.737 -6.781 1.00 0.93 H new ATOM 0 HG2 GLU A 43 12.975 -2.104 -5.911 1.00 1.33 H new ATOM 0 HG3 GLU A 43 14.237 -3.310 -5.755 1.00 1.33 H new ATOM 393 N LYS A 44 14.013 -4.594 -3.561 1.00 0.68 N ATOM 394 CA LYS A 44 15.170 -5.185 -2.902 1.00 0.77 C ATOM 395 C LYS A 44 14.743 -5.961 -1.661 1.00 0.69 C ATOM 396 O LYS A 44 15.470 -6.826 -1.174 1.00 0.80 O ATOM 397 CB LYS A 44 16.185 -4.102 -2.535 1.00 0.92 C ATOM 398 CG LYS A 44 16.734 -3.360 -3.743 1.00 1.42 C ATOM 399 CD LYS A 44 17.704 -2.259 -3.343 1.00 1.99 C ATOM 400 CE LYS A 44 18.970 -2.823 -2.722 1.00 2.49 C ATOM 401 NZ LYS A 44 19.930 -1.754 -2.337 1.00 2.98 N ATOM 0 H LYS A 44 13.905 -3.591 -3.409 1.00 0.68 H new ATOM 0 HA LYS A 44 15.643 -5.882 -3.595 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.715 -3.387 -1.860 1.00 0.92 H new ATOM 0 HB3 LYS A 44 17.012 -4.558 -1.990 1.00 0.92 H new ATOM 0 HG2 LYS A 44 17.239 -4.065 -4.403 1.00 1.42 H new ATOM 0 HG3 LYS A 44 15.909 -2.928 -4.309 1.00 1.42 H new ATOM 0 HD2 LYS A 44 17.962 -1.665 -4.220 1.00 1.99 H new ATOM 0 HD3 LYS A 44 17.220 -1.587 -2.635 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.710 -3.411 -1.841 1.00 2.49 H new ATOM 0 HE3 LYS A 44 19.448 -3.502 -3.428 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.779 -2.184 -1.918 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 20.199 -1.209 -3.181 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 19.484 -1.121 -1.643 1.00 2.98 H new ATOM 415 N ALA A 45 13.548 -5.660 -1.163 1.00 0.61 N ATOM 416 CA ALA A 45 13.005 -6.352 -0.002 1.00 0.64 C ATOM 417 C ALA A 45 12.052 -7.462 -0.431 1.00 0.60 C ATOM 418 O ALA A 45 11.335 -8.033 0.394 1.00 0.71 O ATOM 419 CB ALA A 45 12.299 -5.373 0.922 1.00 0.76 C ATOM 0 H ALA A 45 12.937 -4.939 -1.547 1.00 0.61 H new ATOM 0 HA ALA A 45 13.834 -6.804 0.542 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.900 -5.909 1.783 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.007 -4.617 1.261 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.482 -4.890 0.385 1.00 0.76 H new ATOM 425 N ASN A 46 12.053 -7.751 -1.735 1.00 0.56 N ATOM 426 CA ASN A 46 11.237 -8.820 -2.314 1.00 0.65 C ATOM 427 C ASN A 46 9.750 -8.567 -2.088 1.00 0.62 C ATOM 428 O ASN A 46 8.997 -9.473 -1.721 1.00 0.80 O ATOM 429 CB ASN A 46 11.638 -10.185 -1.741 1.00 0.83 C ATOM 430 CG ASN A 46 13.023 -10.621 -2.182 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.181 -11.276 -3.211 1.00 2.11 O ATOM 432 ND2 ASN A 46 14.036 -10.269 -1.403 1.00 2.22 N ATOM 0 H ASN A 46 12.620 -7.250 -2.419 1.00 0.56 H new ATOM 0 HA ASN A 46 11.420 -8.827 -3.389 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.605 -10.142 -0.652 1.00 0.83 H new ATOM 0 HB3 ASN A 46 10.909 -10.934 -2.053 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.987 -10.542 -1.649 1.00 2.22 H new ATOM 0 HD22 ASN A 46 13.864 -9.725 -0.557 1.00 2.22 H new ATOM 439 N LEU A 47 9.336 -7.326 -2.303 1.00 0.48 N ATOM 440 CA LEU A 47 7.938 -6.947 -2.163 1.00 0.48 C ATOM 441 C LEU A 47 7.340 -6.648 -3.533 1.00 0.45 C ATOM 442 O LEU A 47 8.066 -6.320 -4.474 1.00 0.53 O ATOM 443 CB LEU A 47 7.805 -5.708 -1.270 1.00 0.51 C ATOM 444 CG LEU A 47 8.560 -5.766 0.060 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.375 -4.471 0.832 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.097 -6.947 0.894 1.00 1.11 C ATOM 0 H LEU A 47 9.953 -6.561 -2.577 1.00 0.48 H new ATOM 0 HA LEU A 47 7.401 -7.777 -1.703 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.156 -4.840 -1.829 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.748 -5.546 -1.060 1.00 0.51 H new ATOM 0 HG LEU A 47 9.620 -5.896 -0.157 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.918 -4.529 1.775 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.759 -3.638 0.243 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.315 -4.315 1.033 1.00 1.10 H new ATOM 0 HD21 LEU A 47 8.648 -6.967 1.834 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.031 -6.851 1.100 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.279 -7.872 0.347 1.00 1.11 H new ATOM 458 N GLU A 48 6.030 -6.774 -3.649 1.00 0.43 N ATOM 459 CA GLU A 48 5.332 -6.401 -4.870 1.00 0.47 C ATOM 460 C GLU A 48 4.712 -5.024 -4.695 1.00 0.45 C ATOM 461 O GLU A 48 3.651 -4.889 -4.094 1.00 0.49 O ATOM 462 CB GLU A 48 4.249 -7.433 -5.206 1.00 0.58 C ATOM 463 CG GLU A 48 3.440 -7.097 -6.453 1.00 0.80 C ATOM 464 CD GLU A 48 4.311 -6.935 -7.684 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.477 -7.920 -8.433 1.00 2.13 O ATOM 466 OE2 GLU A 48 4.833 -5.826 -7.912 1.00 1.74 O ATOM 0 H GLU A 48 5.425 -7.133 -2.911 1.00 0.43 H new ATOM 0 HA GLU A 48 6.044 -6.374 -5.695 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.719 -8.407 -5.342 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.570 -7.522 -4.358 1.00 0.58 H new ATOM 0 HG2 GLU A 48 2.708 -7.885 -6.631 1.00 0.80 H new ATOM 0 HG3 GLU A 48 2.882 -6.176 -6.283 1.00 0.80 H new ATOM 473 N LEU A 49 5.377 -4.003 -5.211 1.00 0.46 N ATOM 474 CA LEU A 49 4.914 -2.638 -5.035 1.00 0.50 C ATOM 475 C LEU A 49 4.440 -2.054 -6.358 1.00 0.45 C ATOM 476 O LEU A 49 5.155 -2.089 -7.362 1.00 0.54 O ATOM 477 CB LEU A 49 6.024 -1.774 -4.420 1.00 0.67 C ATOM 478 CG LEU A 49 5.615 -0.349 -4.026 1.00 0.75 C ATOM 479 CD1 LEU A 49 6.446 0.130 -2.848 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.785 0.609 -5.194 1.00 0.99 C ATOM 0 H LEU A 49 6.236 -4.094 -5.753 1.00 0.46 H new ATOM 0 HA LEU A 49 4.066 -2.646 -4.350 1.00 0.50 H new ATOM 0 HB2 LEU A 49 6.405 -2.281 -3.534 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.848 -1.713 -5.131 1.00 0.67 H new ATOM 0 HG LEU A 49 4.563 -0.368 -3.742 1.00 0.75 H new ATOM 0 HD11 LEU A 49 6.146 1.143 -2.579 1.00 1.49 H new ATOM 0 HD12 LEU A 49 6.288 -0.534 -1.998 1.00 1.49 H new ATOM 0 HD13 LEU A 49 7.501 0.125 -3.121 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.488 1.612 -4.888 1.00 0.99 H new ATOM 0 HD22 LEU A 49 6.829 0.619 -5.507 1.00 0.99 H new ATOM 0 HD23 LEU A 49 5.160 0.283 -6.026 1.00 0.99 H new ATOM 492 N ILE A 50 3.231 -1.519 -6.343 1.00 0.39 N ATOM 493 CA ILE A 50 2.646 -0.893 -7.516 1.00 0.43 C ATOM 494 C ILE A 50 2.257 0.547 -7.202 1.00 0.40 C ATOM 495 O ILE A 50 1.658 0.823 -6.160 1.00 0.37 O ATOM 496 CB ILE A 50 1.398 -1.668 -7.997 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.791 -3.054 -8.510 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.654 -0.887 -9.070 1.00 0.62 C ATOM 499 CD1 ILE A 50 0.609 -3.942 -8.831 1.00 1.31 C ATOM 0 H ILE A 50 2.629 -1.506 -5.520 1.00 0.39 H new ATOM 0 HA ILE A 50 3.392 -0.907 -8.310 1.00 0.43 H new ATOM 0 HB ILE A 50 0.728 -1.794 -7.147 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.402 -2.940 -9.405 1.00 0.60 H new ATOM 0 HG13 ILE A 50 2.411 -3.546 -7.761 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.220 -1.453 -9.392 1.00 0.62 H new ATOM 0 HG22 ILE A 50 0.335 0.074 -8.666 1.00 0.62 H new ATOM 0 HG23 ILE A 50 1.313 -0.721 -9.922 1.00 0.62 H new ATOM 0 HD11 ILE A 50 0.966 -4.908 -9.189 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.009 -4.087 -7.933 1.00 1.31 H new ATOM 0 HD13 ILE A 50 -0.000 -3.472 -9.603 1.00 1.31 H new ATOM 511 N THR A 51 2.618 1.463 -8.089 1.00 0.48 N ATOM 512 CA THR A 51 2.234 2.854 -7.936 1.00 0.52 C ATOM 513 C THR A 51 0.820 3.071 -8.463 1.00 0.56 C ATOM 514 O THR A 51 0.569 2.988 -9.666 1.00 0.66 O ATOM 515 CB THR A 51 3.223 3.794 -8.652 1.00 0.63 C ATOM 516 OG1 THR A 51 3.418 3.374 -10.009 1.00 1.19 O ATOM 517 CG2 THR A 51 4.558 3.810 -7.931 1.00 1.20 C ATOM 0 H THR A 51 3.175 1.266 -8.920 1.00 0.48 H new ATOM 0 HA THR A 51 2.258 3.093 -6.873 1.00 0.52 H new ATOM 0 HB THR A 51 2.802 4.799 -8.645 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.555 3.124 -10.401 1.00 1.19 H new ATOM 0 HG21 THR A 51 5.244 4.479 -8.450 1.00 1.20 H new ATOM 0 HG22 THR A 51 4.415 4.159 -6.908 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.975 2.803 -7.915 1.00 1.20 H new ATOM 525 N VAL A 52 -0.097 3.329 -7.547 1.00 0.68 N ATOM 526 CA VAL A 52 -1.505 3.467 -7.874 1.00 0.78 C ATOM 527 C VAL A 52 -1.838 4.902 -8.269 1.00 0.85 C ATOM 528 O VAL A 52 -1.236 5.848 -7.752 1.00 1.66 O ATOM 529 CB VAL A 52 -2.377 3.055 -6.663 1.00 1.35 C ATOM 530 CG1 VAL A 52 -3.848 3.389 -6.892 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.208 1.573 -6.371 1.00 1.95 C ATOM 0 H VAL A 52 0.114 3.449 -6.556 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.717 2.812 -8.719 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.039 3.627 -5.799 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.430 3.086 -6.022 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -3.958 4.463 -7.046 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.209 2.858 -7.773 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.827 1.298 -5.517 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.513 0.993 -7.242 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.163 1.364 -6.144 1.00 1.95 H new ATOM 541 N PRO A 53 -2.781 5.076 -9.217 1.00 0.73 N ATOM 542 CA PRO A 53 -3.378 6.375 -9.517 1.00 0.90 C ATOM 543 C PRO A 53 -3.865 7.075 -8.250 1.00 0.88 C ATOM 544 O PRO A 53 -4.086 6.443 -7.220 1.00 1.64 O ATOM 545 CB PRO A 53 -4.560 6.045 -10.441 1.00 1.83 C ATOM 546 CG PRO A 53 -4.692 4.559 -10.410 1.00 2.29 C ATOM 547 CD PRO A 53 -3.325 4.029 -10.094 1.00 1.49 C ATOM 0 HA PRO A 53 -2.661 7.056 -9.974 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -5.474 6.527 -10.095 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -4.376 6.401 -11.455 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -5.415 4.247 -9.656 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -5.046 4.179 -11.368 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -3.369 3.061 -9.594 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -2.722 3.896 -10.992 1.00 1.49 H new ATOM 555 N GLY A 54 -4.059 8.374 -8.356 1.00 1.49 N ATOM 556 CA GLY A 54 -4.258 9.227 -7.194 1.00 2.14 C ATOM 557 C GLY A 54 -5.568 9.019 -6.442 1.00 1.80 C ATOM 558 O GLY A 54 -5.923 9.838 -5.594 1.00 2.08 O ATOM 0 H GLY A 54 -4.084 8.871 -9.247 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -3.432 9.065 -6.501 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -4.205 10.267 -7.516 1.00 2.14 H new ATOM 562 N SER A 55 -6.286 7.948 -6.729 1.00 1.36 N ATOM 563 CA SER A 55 -7.494 7.640 -5.984 1.00 0.97 C ATOM 564 C SER A 55 -7.242 6.492 -5.015 1.00 0.64 C ATOM 565 O SER A 55 -6.661 5.469 -5.373 1.00 0.50 O ATOM 566 CB SER A 55 -8.632 7.273 -6.919 1.00 1.19 C ATOM 567 OG SER A 55 -8.881 8.305 -7.860 1.00 1.75 O ATOM 0 H SER A 55 -6.057 7.282 -7.466 1.00 1.36 H new ATOM 0 HA SER A 55 -7.776 8.531 -5.423 1.00 0.97 H new ATOM 0 HB2 SER A 55 -8.390 6.350 -7.445 1.00 1.19 H new ATOM 0 HB3 SER A 55 -9.535 7.082 -6.339 1.00 1.19 H new ATOM 0 HG SER A 55 -9.618 8.040 -8.449 1.00 1.75 H new ATOM 573 N PRO A 56 -7.703 6.656 -3.771 1.00 0.66 N ATOM 574 CA PRO A 56 -7.423 5.714 -2.685 1.00 0.58 C ATOM 575 C PRO A 56 -8.166 4.390 -2.830 1.00 0.53 C ATOM 576 O PRO A 56 -7.631 3.329 -2.510 1.00 0.62 O ATOM 577 CB PRO A 56 -7.899 6.475 -1.453 1.00 0.70 C ATOM 578 CG PRO A 56 -8.992 7.344 -1.953 1.00 1.09 C ATOM 579 CD PRO A 56 -8.563 7.773 -3.326 1.00 0.87 C ATOM 0 HA PRO A 56 -6.373 5.423 -2.655 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.255 5.795 -0.679 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.093 7.063 -1.014 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -9.938 6.804 -1.988 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.140 8.205 -1.301 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.416 7.914 -3.989 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -8.018 8.717 -3.302 1.00 0.87 H new ATOM 587 N GLU A 57 -9.399 4.457 -3.319 1.00 0.62 N ATOM 588 CA GLU A 57 -10.225 3.269 -3.491 1.00 0.80 C ATOM 589 C GLU A 57 -9.678 2.380 -4.603 1.00 0.67 C ATOM 590 O GLU A 57 -9.915 1.169 -4.618 1.00 0.67 O ATOM 591 CB GLU A 57 -11.670 3.666 -3.792 1.00 1.14 C ATOM 592 CG GLU A 57 -11.798 4.671 -4.924 1.00 1.80 C ATOM 593 CD GLU A 57 -13.236 4.919 -5.314 1.00 1.95 C ATOM 594 OE1 GLU A 57 -13.959 5.591 -4.550 1.00 2.06 O ATOM 595 OE2 GLU A 57 -13.652 4.433 -6.386 1.00 2.70 O ATOM 0 H GLU A 57 -9.850 5.326 -3.604 1.00 0.62 H new ATOM 0 HA GLU A 57 -10.202 2.702 -2.560 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -12.239 2.771 -4.045 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -12.118 4.086 -2.891 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -11.338 5.613 -4.624 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.246 4.309 -5.792 1.00 1.80 H new ATOM 602 N GLU A 58 -8.937 2.987 -5.522 1.00 0.61 N ATOM 603 CA GLU A 58 -8.319 2.253 -6.617 1.00 0.56 C ATOM 604 C GLU A 58 -7.351 1.215 -6.077 1.00 0.50 C ATOM 605 O GLU A 58 -7.343 0.073 -6.526 1.00 0.54 O ATOM 606 CB GLU A 58 -7.589 3.213 -7.556 1.00 0.62 C ATOM 607 CG GLU A 58 -8.520 4.124 -8.335 1.00 1.18 C ATOM 608 CD GLU A 58 -9.328 3.376 -9.370 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.955 3.418 -10.560 1.00 2.30 O ATOM 610 OE2 GLU A 58 -10.335 2.737 -9.003 1.00 2.01 O ATOM 0 H GLU A 58 -8.750 3.990 -5.530 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.103 1.744 -7.177 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -6.899 3.824 -6.974 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.988 2.635 -8.258 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -9.197 4.625 -7.643 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -7.935 4.901 -8.827 1.00 1.18 H new ATOM 617 N ALA A 59 -6.557 1.614 -5.092 1.00 0.52 N ATOM 618 CA ALA A 59 -5.585 0.719 -4.482 1.00 0.59 C ATOM 619 C ALA A 59 -6.278 -0.415 -3.738 1.00 0.50 C ATOM 620 O ALA A 59 -5.807 -1.550 -3.743 1.00 0.50 O ATOM 621 CB ALA A 59 -4.680 1.488 -3.538 1.00 0.78 C ATOM 0 H ALA A 59 -6.568 2.555 -4.698 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.979 0.285 -5.278 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.958 0.806 -3.089 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.151 2.263 -4.092 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -5.280 1.949 -2.753 1.00 0.78 H new ATOM 627 N ILE A 60 -7.404 -0.105 -3.112 1.00 0.51 N ATOM 628 CA ILE A 60 -8.152 -1.100 -2.353 1.00 0.52 C ATOM 629 C ILE A 60 -8.699 -2.180 -3.279 1.00 0.50 C ATOM 630 O ILE A 60 -8.541 -3.376 -3.030 1.00 0.52 O ATOM 631 CB ILE A 60 -9.329 -0.473 -1.579 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.874 0.758 -0.789 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.945 -1.507 -0.647 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.796 0.469 0.230 1.00 1.03 C ATOM 0 H ILE A 60 -7.820 0.826 -3.114 1.00 0.51 H new ATOM 0 HA ILE A 60 -7.455 -1.535 -1.637 1.00 0.52 H new ATOM 0 HB ILE A 60 -10.082 -0.149 -2.298 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -8.508 1.510 -1.487 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -9.736 1.189 -0.279 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.776 -1.058 -0.103 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -10.309 -2.352 -1.231 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -9.192 -1.852 0.062 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.528 1.390 0.747 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -8.164 -0.259 0.953 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.917 0.067 -0.274 1.00 1.03 H new ATOM 646 N ARG A 61 -9.333 -1.748 -4.359 1.00 0.51 N ATOM 647 CA ARG A 61 -9.925 -2.673 -5.311 1.00 0.57 C ATOM 648 C ARG A 61 -8.856 -3.301 -6.202 1.00 0.55 C ATOM 649 O ARG A 61 -9.102 -4.302 -6.874 1.00 0.67 O ATOM 650 CB ARG A 61 -11.005 -1.963 -6.129 1.00 0.63 C ATOM 651 CG ARG A 61 -12.237 -1.635 -5.297 1.00 0.68 C ATOM 652 CD ARG A 61 -13.272 -0.842 -6.078 1.00 0.85 C ATOM 653 NE ARG A 61 -14.509 -0.676 -5.309 1.00 1.75 N ATOM 654 CZ ARG A 61 -15.126 0.490 -5.109 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.626 1.611 -5.614 1.00 2.28 N ATOM 656 NH2 ARG A 61 -16.245 0.534 -4.395 1.00 3.35 N ATOM 0 H ARG A 61 -9.450 -0.763 -4.597 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.399 -3.487 -4.763 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.596 -1.043 -6.546 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.294 -2.593 -6.970 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.687 -2.561 -4.940 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.936 -1.066 -4.417 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.866 0.137 -6.333 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.491 -1.351 -7.017 1.00 0.85 H new ATOM 0 HE ARG A 61 -14.927 -1.510 -4.898 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -13.764 1.585 -6.159 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.103 2.499 -5.457 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -16.632 -0.323 -4.000 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -16.717 1.425 -4.242 1.00 3.35 H new ATOM 670 N LEU A 62 -7.666 -2.715 -6.191 1.00 0.47 N ATOM 671 CA LEU A 62 -6.513 -3.312 -6.851 1.00 0.50 C ATOM 672 C LEU A 62 -5.982 -4.440 -5.969 1.00 0.43 C ATOM 673 O LEU A 62 -5.656 -5.525 -6.448 1.00 0.45 O ATOM 674 CB LEU A 62 -5.427 -2.248 -7.089 1.00 0.59 C ATOM 675 CG LEU A 62 -4.557 -2.424 -8.345 1.00 0.69 C ATOM 676 CD1 LEU A 62 -3.737 -3.702 -8.281 1.00 1.22 C ATOM 677 CD2 LEU A 62 -5.419 -2.408 -9.599 1.00 1.03 C ATOM 0 H LEU A 62 -7.474 -1.825 -5.731 1.00 0.47 H new ATOM 0 HA LEU A 62 -6.803 -3.714 -7.822 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -5.911 -1.273 -7.143 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -4.770 -2.230 -6.219 1.00 0.59 H new ATOM 0 HG LEU A 62 -3.862 -1.585 -8.386 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -3.135 -3.793 -9.185 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -3.082 -3.671 -7.410 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -4.405 -4.560 -8.202 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -4.786 -2.534 -10.477 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -6.143 -3.222 -9.554 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -5.947 -1.457 -9.666 1.00 1.03 H new ATOM 689 N ALA A 63 -5.930 -4.177 -4.665 1.00 0.41 N ATOM 690 CA ALA A 63 -5.533 -5.179 -3.684 1.00 0.42 C ATOM 691 C ALA A 63 -6.469 -6.378 -3.738 1.00 0.46 C ATOM 692 O ALA A 63 -6.038 -7.523 -3.622 1.00 0.49 O ATOM 693 CB ALA A 63 -5.526 -4.580 -2.287 1.00 0.49 C ATOM 0 H ALA A 63 -6.161 -3.269 -4.263 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.524 -5.515 -3.924 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -5.227 -5.341 -1.566 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.821 -3.750 -2.251 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.525 -4.219 -2.041 1.00 0.49 H new ATOM 699 N GLN A 64 -7.753 -6.096 -3.925 1.00 0.52 N ATOM 700 CA GLN A 64 -8.766 -7.134 -4.075 1.00 0.64 C ATOM 701 C GLN A 64 -8.427 -8.057 -5.246 1.00 0.62 C ATOM 702 O GLN A 64 -8.638 -9.271 -5.184 1.00 0.69 O ATOM 703 CB GLN A 64 -10.138 -6.488 -4.301 1.00 0.77 C ATOM 704 CG GLN A 64 -11.262 -7.490 -4.514 1.00 1.11 C ATOM 705 CD GLN A 64 -11.521 -8.355 -3.295 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.331 -7.790 -2.114 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -11.916 -9.514 -3.416 1.00 2.12 N flip ATOM 0 H GLN A 64 -8.120 -5.146 -3.977 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.790 -7.730 -3.163 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -10.380 -5.862 -3.442 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.081 -5.831 -5.169 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -12.175 -6.954 -4.774 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -11.016 -8.130 -5.361 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.050 -9.913 -4.345 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -12.110 -10.076 -2.587 1.00 2.12 H new ATOM 716 N GLU A 65 -7.884 -7.468 -6.300 1.00 0.58 N ATOM 717 CA GLU A 65 -7.558 -8.202 -7.511 1.00 0.63 C ATOM 718 C GLU A 65 -6.321 -9.073 -7.296 1.00 0.55 C ATOM 719 O GLU A 65 -6.211 -10.166 -7.852 1.00 0.62 O ATOM 720 CB GLU A 65 -7.323 -7.216 -8.660 1.00 0.69 C ATOM 721 CG GLU A 65 -7.338 -7.859 -10.036 1.00 1.24 C ATOM 722 CD GLU A 65 -8.670 -8.503 -10.353 1.00 1.50 C ATOM 723 OE1 GLU A 65 -8.751 -9.746 -10.339 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.649 -7.768 -10.603 1.00 1.95 O ATOM 0 H GLU A 65 -7.658 -6.474 -6.340 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.393 -8.856 -7.764 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -8.089 -6.441 -8.623 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -6.363 -6.722 -8.511 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -7.113 -7.105 -10.790 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -6.551 -8.611 -10.092 1.00 1.24 H new ATOM 731 N ILE A 66 -5.394 -8.591 -6.479 1.00 0.46 N ATOM 732 CA ILE A 66 -4.155 -9.314 -6.234 1.00 0.46 C ATOM 733 C ILE A 66 -4.310 -10.352 -5.119 1.00 0.43 C ATOM 734 O ILE A 66 -4.012 -11.527 -5.318 1.00 0.48 O ATOM 735 CB ILE A 66 -3.002 -8.351 -5.879 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.798 -7.333 -7.004 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.716 -9.130 -5.626 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.711 -6.320 -6.717 1.00 0.53 C ATOM 0 H ILE A 66 -5.476 -7.707 -5.977 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.914 -9.834 -7.161 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.264 -7.815 -4.967 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.553 -7.865 -7.923 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.736 -6.806 -7.180 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.913 -8.436 -5.377 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.867 -9.822 -4.798 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.447 -9.689 -6.522 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.624 -5.632 -7.558 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.963 -5.761 -5.816 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.762 -6.836 -6.570 1.00 0.53 H new ATOM 750 N ALA A 67 -4.805 -9.914 -3.965 1.00 0.44 N ATOM 751 CA ALA A 67 -4.826 -10.745 -2.759 1.00 0.51 C ATOM 752 C ALA A 67 -5.674 -12.005 -2.923 1.00 0.55 C ATOM 753 O ALA A 67 -5.240 -13.098 -2.559 1.00 0.63 O ATOM 754 CB ALA A 67 -5.318 -9.933 -1.573 1.00 0.60 C ATOM 0 H ALA A 67 -5.200 -8.982 -3.837 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.802 -11.073 -2.581 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.330 -10.561 -0.682 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.652 -9.085 -1.411 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.326 -9.570 -1.774 1.00 0.60 H new ATOM 760 N GLU A 68 -6.876 -11.857 -3.463 1.00 0.60 N ATOM 761 CA GLU A 68 -7.783 -12.992 -3.618 1.00 0.73 C ATOM 762 C GLU A 68 -7.247 -13.976 -4.658 1.00 0.73 C ATOM 763 O GLU A 68 -7.378 -15.192 -4.510 1.00 0.87 O ATOM 764 CB GLU A 68 -9.183 -12.503 -4.009 1.00 0.83 C ATOM 765 CG GLU A 68 -10.207 -13.615 -4.204 1.00 1.10 C ATOM 766 CD GLU A 68 -10.422 -14.460 -2.961 1.00 1.71 C ATOM 767 OE1 GLU A 68 -9.875 -15.579 -2.891 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.150 -14.017 -2.050 1.00 2.22 O ATOM 0 H GLU A 68 -7.247 -10.969 -3.800 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.850 -13.513 -2.663 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.545 -11.823 -3.238 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.109 -11.928 -4.932 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -11.158 -13.175 -4.504 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -9.882 -14.259 -5.021 1.00 1.10 H new ATOM 775 N LYS A 69 -6.610 -13.450 -5.691 1.00 0.65 N ATOM 776 CA LYS A 69 -6.109 -14.279 -6.780 1.00 0.71 C ATOM 777 C LYS A 69 -4.722 -14.832 -6.466 1.00 0.73 C ATOM 778 O LYS A 69 -4.117 -15.516 -7.289 1.00 0.92 O ATOM 779 CB LYS A 69 -6.074 -13.473 -8.079 1.00 0.73 C ATOM 780 CG LYS A 69 -7.448 -13.020 -8.548 1.00 0.77 C ATOM 781 CD LYS A 69 -8.304 -14.189 -9.014 1.00 1.29 C ATOM 782 CE LYS A 69 -7.778 -14.798 -10.306 1.00 1.73 C ATOM 783 NZ LYS A 69 -7.742 -13.808 -11.417 1.00 2.41 N ATOM 0 H LYS A 69 -6.426 -12.453 -5.800 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.787 -15.124 -6.899 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -5.440 -12.598 -7.937 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.613 -14.077 -8.860 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.955 -12.500 -7.735 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -7.336 -12.305 -9.363 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -8.330 -14.953 -8.237 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -9.330 -13.851 -9.163 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -6.775 -15.192 -10.139 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -8.408 -15.641 -10.592 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -7.643 -14.307 -12.324 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.624 -13.257 -11.420 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -6.934 -13.167 -11.285 1.00 2.41 H new ATOM 797 N ALA A 70 -4.221 -14.531 -5.277 1.00 0.67 N ATOM 798 CA ALA A 70 -2.914 -15.014 -4.857 1.00 0.71 C ATOM 799 C ALA A 70 -3.047 -16.296 -4.048 1.00 0.69 C ATOM 800 O ALA A 70 -3.691 -16.311 -2.994 1.00 0.68 O ATOM 801 CB ALA A 70 -2.191 -13.959 -4.039 1.00 0.78 C ATOM 0 H ALA A 70 -4.700 -13.954 -4.586 1.00 0.67 H new ATOM 0 HA ALA A 70 -2.330 -15.225 -5.753 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.216 -14.340 -3.735 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.058 -13.060 -4.641 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.779 -13.719 -3.153 1.00 0.78 H new ATOM 807 N PRO A 71 -2.464 -17.396 -4.538 1.00 0.84 N ATOM 808 CA PRO A 71 -2.436 -18.650 -3.804 1.00 0.90 C ATOM 809 C PRO A 71 -1.302 -18.678 -2.784 1.00 0.81 C ATOM 810 O PRO A 71 -0.124 -18.745 -3.143 1.00 0.93 O ATOM 811 CB PRO A 71 -2.211 -19.688 -4.902 1.00 1.19 C ATOM 812 CG PRO A 71 -1.452 -18.970 -5.968 1.00 1.34 C ATOM 813 CD PRO A 71 -1.803 -17.505 -5.851 1.00 1.08 C ATOM 0 HA PRO A 71 -3.344 -18.822 -3.226 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -1.649 -20.543 -4.526 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -3.158 -20.071 -5.282 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -0.379 -19.120 -5.845 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.717 -19.352 -6.954 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.914 -16.877 -5.903 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -2.464 -17.188 -6.657 1.00 1.08 H new ATOM 821 N GLY A 72 -1.663 -18.600 -1.516 1.00 0.75 N ATOM 822 CA GLY A 72 -0.676 -18.650 -0.459 1.00 0.77 C ATOM 823 C GLY A 72 -0.869 -17.536 0.547 1.00 0.63 C ATOM 824 O GLY A 72 -1.851 -16.794 0.466 1.00 0.62 O ATOM 0 H GLY A 72 -2.627 -18.502 -1.197 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -0.737 -19.612 0.049 1.00 0.77 H new ATOM 0 HA3 GLY A 72 0.322 -18.580 -0.891 1.00 0.77 H new ATOM 828 N PRO A 73 0.044 -17.402 1.518 1.00 0.61 N ATOM 829 CA PRO A 73 -0.026 -16.351 2.530 1.00 0.58 C ATOM 830 C PRO A 73 0.313 -14.984 1.950 1.00 0.48 C ATOM 831 O PRO A 73 1.424 -14.766 1.456 1.00 0.54 O ATOM 832 CB PRO A 73 1.033 -16.763 3.568 1.00 0.71 C ATOM 833 CG PRO A 73 1.459 -18.143 3.188 1.00 0.90 C ATOM 834 CD PRO A 73 1.210 -18.266 1.714 1.00 0.73 C ATOM 0 HA PRO A 73 -1.029 -16.257 2.947 1.00 0.58 H new ATOM 0 HB2 PRO A 73 1.879 -16.076 3.558 1.00 0.71 H new ATOM 0 HB3 PRO A 73 0.620 -16.745 4.577 1.00 0.71 H new ATOM 0 HG2 PRO A 73 2.512 -18.303 3.420 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.893 -18.892 3.742 1.00 0.90 H new ATOM 0 HD2 PRO A 73 2.066 -17.932 1.128 1.00 0.73 H new ATOM 0 HD3 PRO A 73 1.006 -19.296 1.421 1.00 0.73 H new ATOM 842 N VAL A 74 -0.642 -14.066 2.015 1.00 0.48 N ATOM 843 CA VAL A 74 -0.458 -12.722 1.483 1.00 0.46 C ATOM 844 C VAL A 74 -1.168 -11.685 2.336 1.00 0.44 C ATOM 845 O VAL A 74 -2.241 -11.939 2.888 1.00 0.56 O ATOM 846 CB VAL A 74 -0.976 -12.584 0.031 1.00 0.62 C ATOM 847 CG1 VAL A 74 -0.011 -13.210 -0.958 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.361 -13.200 -0.111 1.00 1.31 C ATOM 0 H VAL A 74 -1.558 -14.229 2.434 1.00 0.48 H new ATOM 0 HA VAL A 74 0.618 -12.548 1.496 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.048 -11.520 -0.195 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -0.402 -13.097 -1.969 1.00 1.50 H new ATOM 0 HG12 VAL A 74 0.957 -12.714 -0.886 1.00 1.50 H new ATOM 0 HG13 VAL A 74 0.107 -14.269 -0.731 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.704 -13.091 -1.140 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -2.317 -14.258 0.146 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -3.055 -12.693 0.559 1.00 1.31 H new ATOM 858 N LYS A 75 -0.551 -10.523 2.447 1.00 0.44 N ATOM 859 CA LYS A 75 -1.175 -9.369 3.059 1.00 0.52 C ATOM 860 C LYS A 75 -0.746 -8.121 2.309 1.00 0.42 C ATOM 861 O LYS A 75 0.408 -8.008 1.885 1.00 0.45 O ATOM 862 CB LYS A 75 -0.839 -9.265 4.555 1.00 0.76 C ATOM 863 CG LYS A 75 0.645 -9.287 4.883 1.00 1.20 C ATOM 864 CD LYS A 75 0.877 -9.023 6.364 1.00 1.52 C ATOM 865 CE LYS A 75 2.347 -9.113 6.742 1.00 1.90 C ATOM 866 NZ LYS A 75 2.859 -10.507 6.690 1.00 2.58 N ATOM 0 H LYS A 75 0.398 -10.355 2.114 1.00 0.44 H new ATOM 0 HA LYS A 75 -2.258 -9.477 2.993 1.00 0.52 H new ATOM 0 HB2 LYS A 75 -1.268 -8.342 4.945 1.00 0.76 H new ATOM 0 HB3 LYS A 75 -1.324 -10.089 5.079 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.067 -10.254 4.611 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.164 -8.534 4.289 1.00 1.20 H new ATOM 0 HD2 LYS A 75 0.499 -8.033 6.618 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.308 -9.742 6.953 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.932 -8.488 6.067 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.486 -8.714 7.747 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 3.876 -10.511 6.906 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 2.354 -11.089 7.389 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 2.705 -10.898 5.739 1.00 2.58 H new ATOM 880 N VAL A 76 -1.677 -7.204 2.115 1.00 0.42 N ATOM 881 CA VAL A 76 -1.427 -6.030 1.298 1.00 0.39 C ATOM 882 C VAL A 76 -1.378 -4.773 2.159 1.00 0.38 C ATOM 883 O VAL A 76 -2.168 -4.619 3.091 1.00 0.50 O ATOM 884 CB VAL A 76 -2.517 -5.855 0.216 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.154 -4.739 -0.751 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.760 -7.160 -0.530 1.00 1.16 C ATOM 0 H VAL A 76 -2.615 -7.250 2.513 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.463 -6.177 0.811 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.443 -5.576 0.719 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -2.938 -4.638 -1.501 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.053 -3.802 -0.204 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.210 -4.976 -1.242 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.531 -7.009 -1.285 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.837 -7.480 -1.013 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -3.086 -7.926 0.174 1.00 1.16 H new ATOM 896 N LEU A 77 -0.446 -3.887 1.850 1.00 0.35 N ATOM 897 CA LEU A 77 -0.355 -2.608 2.529 1.00 0.41 C ATOM 898 C LEU A 77 -0.683 -1.490 1.545 1.00 0.39 C ATOM 899 O LEU A 77 -0.037 -1.359 0.505 1.00 0.43 O ATOM 900 CB LEU A 77 1.052 -2.401 3.103 1.00 0.54 C ATOM 901 CG LEU A 77 1.118 -1.779 4.507 1.00 0.62 C ATOM 902 CD1 LEU A 77 2.557 -1.469 4.879 1.00 0.90 C ATOM 903 CD2 LEU A 77 0.270 -0.520 4.603 1.00 1.35 C ATOM 0 H LEU A 77 0.261 -4.032 1.129 1.00 0.35 H new ATOM 0 HA LEU A 77 -1.068 -2.593 3.353 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.558 -3.366 3.130 1.00 0.54 H new ATOM 0 HB3 LEU A 77 1.613 -1.765 2.418 1.00 0.54 H new ATOM 0 HG LEU A 77 0.715 -2.508 5.210 1.00 0.62 H new ATOM 0 HD11 LEU A 77 2.588 -1.029 5.876 1.00 0.90 H new ATOM 0 HD12 LEU A 77 3.141 -2.389 4.870 1.00 0.90 H new ATOM 0 HD13 LEU A 77 2.976 -0.766 4.159 1.00 0.90 H new ATOM 0 HD21 LEU A 77 0.342 -0.109 5.610 1.00 1.35 H new ATOM 0 HD22 LEU A 77 0.629 0.216 3.884 1.00 1.35 H new ATOM 0 HD23 LEU A 77 -0.770 -0.764 4.384 1.00 1.35 H new ATOM 915 N VAL A 78 -1.700 -0.705 1.863 1.00 0.37 N ATOM 916 CA VAL A 78 -2.077 0.429 1.034 1.00 0.36 C ATOM 917 C VAL A 78 -1.607 1.726 1.677 1.00 0.36 C ATOM 918 O VAL A 78 -1.948 2.027 2.825 1.00 0.38 O ATOM 919 CB VAL A 78 -3.600 0.485 0.799 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.981 1.709 -0.021 1.00 1.00 C ATOM 921 CG2 VAL A 78 -4.076 -0.788 0.113 1.00 1.01 C ATOM 0 H VAL A 78 -2.281 -0.833 2.692 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.593 0.304 0.065 1.00 0.36 H new ATOM 0 HB VAL A 78 -4.092 0.564 1.769 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -5.060 1.724 -0.172 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.676 2.611 0.509 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.480 1.669 -0.988 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -5.153 -0.734 -0.047 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.572 -0.894 -0.847 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.845 -1.648 0.741 1.00 1.01 H new ATOM 931 N LEU A 79 -0.813 2.480 0.936 1.00 0.38 N ATOM 932 CA LEU A 79 -0.196 3.690 1.456 1.00 0.40 C ATOM 933 C LEU A 79 -0.709 4.921 0.733 1.00 0.37 C ATOM 934 O LEU A 79 -0.375 5.148 -0.426 1.00 0.41 O ATOM 935 CB LEU A 79 1.331 3.639 1.303 1.00 0.46 C ATOM 936 CG LEU A 79 2.078 2.623 2.171 1.00 0.58 C ATOM 937 CD1 LEU A 79 1.720 2.793 3.638 1.00 1.23 C ATOM 938 CD2 LEU A 79 1.815 1.198 1.709 1.00 1.37 C ATOM 0 H LEU A 79 -0.579 2.274 -0.035 1.00 0.38 H new ATOM 0 HA LEU A 79 -0.458 3.751 2.512 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.561 3.428 0.259 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.728 4.630 1.523 1.00 0.46 H new ATOM 0 HG LEU A 79 3.145 2.815 2.058 1.00 0.58 H new ATOM 0 HD11 LEU A 79 2.264 2.059 4.233 1.00 1.23 H new ATOM 0 HD12 LEU A 79 1.990 3.797 3.965 1.00 1.23 H new ATOM 0 HD13 LEU A 79 0.648 2.645 3.771 1.00 1.23 H new ATOM 0 HD21 LEU A 79 2.360 0.502 2.347 1.00 1.37 H new ATOM 0 HD22 LEU A 79 0.747 0.987 1.771 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.148 1.082 0.678 1.00 1.37 H new ATOM 950 N ILE A 80 -1.515 5.714 1.410 1.00 0.41 N ATOM 951 CA ILE A 80 -1.907 7.003 0.873 1.00 0.43 C ATOM 952 C ILE A 80 -0.983 8.077 1.435 1.00 0.41 C ATOM 953 O ILE A 80 -0.852 8.227 2.649 1.00 0.42 O ATOM 954 CB ILE A 80 -3.390 7.340 1.161 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.735 7.113 2.635 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.299 6.511 0.264 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.172 7.445 2.982 1.00 1.40 C ATOM 0 H ILE A 80 -1.909 5.492 2.325 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.811 6.964 -0.212 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.547 8.396 0.943 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.541 6.071 2.888 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.072 7.720 3.252 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.340 6.756 0.475 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -4.079 6.731 -0.781 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.130 5.451 0.455 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.342 7.260 4.043 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.366 8.495 2.761 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.842 6.820 2.392 1.00 1.40 H new ATOM 969 N THR A 81 -0.299 8.783 0.551 1.00 0.60 N ATOM 970 CA THR A 81 0.686 9.766 0.971 1.00 0.69 C ATOM 971 C THR A 81 0.165 11.178 0.750 1.00 0.79 C ATOM 972 O THR A 81 -0.295 11.516 -0.339 1.00 1.20 O ATOM 973 CB THR A 81 2.009 9.577 0.205 1.00 1.13 C ATOM 974 OG1 THR A 81 2.359 8.188 0.191 1.00 2.07 O ATOM 975 CG2 THR A 81 3.135 10.376 0.845 1.00 1.92 C ATOM 0 H THR A 81 -0.407 8.695 -0.459 1.00 0.60 H new ATOM 0 HA THR A 81 0.870 9.618 2.035 1.00 0.69 H new ATOM 0 HB THR A 81 1.868 9.938 -0.814 1.00 1.13 H new ATOM 0 HG1 THR A 81 3.200 8.067 -0.298 1.00 2.07 H new ATOM 0 HG21 THR A 81 4.056 10.222 0.282 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.878 11.435 0.839 1.00 1.92 H new ATOM 0 HG23 THR A 81 3.278 10.043 1.873 1.00 1.92 H new ATOM 983 N GLY A 82 0.233 11.993 1.790 1.00 0.73 N ATOM 984 CA GLY A 82 -0.243 13.356 1.694 1.00 1.09 C ATOM 985 C GLY A 82 -1.531 13.559 2.460 1.00 0.92 C ATOM 986 O GLY A 82 -1.842 12.793 3.372 1.00 1.03 O ATOM 0 H GLY A 82 0.610 11.734 2.702 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.519 14.034 2.078 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.399 13.613 0.646 1.00 1.09 H new ATOM 990 N SER A 83 -2.278 14.585 2.096 1.00 1.03 N ATOM 991 CA SER A 83 -3.536 14.882 2.760 1.00 1.19 C ATOM 992 C SER A 83 -4.692 14.216 2.026 1.00 1.10 C ATOM 993 O SER A 83 -4.843 14.381 0.815 1.00 1.22 O ATOM 994 CB SER A 83 -3.748 16.395 2.818 1.00 1.61 C ATOM 995 OG SER A 83 -2.619 17.038 3.382 1.00 2.22 O ATOM 0 H SER A 83 -2.036 15.229 1.343 1.00 1.03 H new ATOM 0 HA SER A 83 -3.500 14.490 3.776 1.00 1.19 H new ATOM 0 HB2 SER A 83 -3.929 16.781 1.815 1.00 1.61 H new ATOM 0 HB3 SER A 83 -4.635 16.620 3.410 1.00 1.61 H new ATOM 0 HG SER A 83 -2.773 18.005 3.409 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.499 13.461 2.755 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.624 12.759 2.159 1.00 0.95 C ATOM 1003 C ALA A 84 -7.894 13.594 2.248 1.00 0.97 C ATOM 1004 O ALA A 84 -8.243 14.099 3.317 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.824 11.413 2.839 1.00 0.97 C ATOM 0 H ALA A 84 -5.396 13.319 3.760 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.403 12.590 1.105 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.669 10.897 2.384 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.924 10.809 2.722 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.022 11.567 3.900 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.567 13.757 1.116 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.837 14.479 1.069 1.00 0.93 C ATOM 1013 C ASP A 85 -10.888 13.739 1.892 1.00 0.81 C ATOM 1014 O ASP A 85 -10.968 12.518 1.813 1.00 0.71 O ATOM 1015 CB ASP A 85 -10.310 14.625 -0.383 1.00 1.02 C ATOM 1016 CG ASP A 85 -11.649 15.330 -0.504 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -12.696 14.659 -0.390 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -11.661 16.562 -0.720 1.00 1.92 O ATOM 0 H ASP A 85 -8.255 13.398 0.214 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.693 15.474 1.491 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -9.561 15.180 -0.949 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -10.384 13.636 -0.836 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.677 14.465 2.709 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.660 13.868 3.630 1.00 0.95 C ATOM 1025 C PRO A 86 -13.448 12.703 3.028 1.00 0.85 C ATOM 1026 O PRO A 86 -13.521 11.620 3.618 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.592 15.037 3.929 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.722 16.242 3.842 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.670 15.938 2.807 1.00 1.11 C ATOM 0 HA PRO A 86 -12.173 13.433 4.502 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.410 15.086 3.210 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.041 14.943 4.918 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.303 17.120 3.558 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.265 16.461 4.807 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.907 16.402 1.850 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.692 16.313 3.110 1.00 1.11 H new ATOM 1037 N ASP A 87 -14.009 12.915 1.844 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.835 11.899 1.201 1.00 0.86 C ATOM 1039 C ASP A 87 -13.986 10.718 0.760 1.00 0.74 C ATOM 1040 O ASP A 87 -14.347 9.563 0.983 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.589 12.481 0.003 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.606 13.526 0.410 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -17.674 13.151 0.939 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.345 14.730 0.207 1.00 2.21 O ATOM 0 H ASP A 87 -13.908 13.778 1.310 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.566 11.553 1.932 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.875 12.924 -0.691 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -16.094 11.676 -0.531 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.844 11.015 0.156 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.930 9.980 -0.309 1.00 0.67 C ATOM 1051 C GLU A 88 -11.365 9.186 0.866 1.00 0.55 C ATOM 1052 O GLU A 88 -11.169 7.976 0.772 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.799 10.604 -1.123 1.00 0.80 C ATOM 1054 CG GLU A 88 -11.270 11.226 -2.424 1.00 1.02 C ATOM 1055 CD GLU A 88 -10.149 11.895 -3.186 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.084 13.142 -3.176 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -9.324 11.182 -3.791 1.00 2.32 O ATOM 0 H GLU A 88 -12.527 11.968 -0.024 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.485 9.292 -0.947 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -10.305 11.367 -0.521 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -10.054 9.840 -1.342 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.720 10.455 -3.049 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -12.048 11.959 -2.212 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.115 9.874 1.972 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.653 9.233 3.194 1.00 0.62 C ATOM 1066 C LYS A 89 -11.735 8.301 3.730 1.00 0.59 C ATOM 1067 O LYS A 89 -11.449 7.188 4.174 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.287 10.293 4.239 1.00 0.77 C ATOM 1069 CG LYS A 89 -9.776 9.722 5.553 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.412 10.827 6.533 1.00 1.77 C ATOM 1071 CE LYS A 89 -9.059 10.271 7.904 1.00 2.39 C ATOM 1072 NZ LYS A 89 -10.211 9.581 8.541 1.00 2.81 N ATOM 0 H LYS A 89 -11.226 10.885 2.047 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.762 8.644 2.975 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -9.525 10.951 3.821 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.165 10.908 4.440 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -10.538 9.079 5.993 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -8.903 9.098 5.365 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -8.568 11.396 6.143 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -10.248 11.521 6.626 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -8.227 9.573 7.809 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -8.722 11.083 8.548 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -10.031 9.474 9.560 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -11.074 10.143 8.399 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -10.335 8.642 8.111 1.00 2.81 H new ATOM 1086 N THR A 90 -12.980 8.758 3.657 1.00 0.62 N ATOM 1087 CA THR A 90 -14.118 7.947 4.055 1.00 0.69 C ATOM 1088 C THR A 90 -14.214 6.694 3.183 1.00 0.62 C ATOM 1089 O THR A 90 -14.378 5.584 3.690 1.00 0.69 O ATOM 1090 CB THR A 90 -15.433 8.749 3.963 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.361 9.910 4.803 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.624 7.898 4.377 1.00 1.17 C ATOM 0 H THR A 90 -13.225 9.691 3.324 1.00 0.62 H new ATOM 0 HA THR A 90 -13.967 7.650 5.093 1.00 0.69 H new ATOM 0 HB THR A 90 -15.568 9.054 2.925 1.00 0.86 H new ATOM 0 HG1 THR A 90 -14.731 10.554 4.417 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.537 8.489 4.302 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.698 7.031 3.720 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.492 7.563 5.406 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.082 6.878 1.873 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.136 5.765 0.928 1.00 0.64 C ATOM 1102 C LYS A 91 -12.981 4.799 1.146 1.00 0.63 C ATOM 1103 O LYS A 91 -13.141 3.584 1.005 1.00 0.73 O ATOM 1104 CB LYS A 91 -14.110 6.275 -0.516 1.00 0.73 C ATOM 1105 CG LYS A 91 -15.486 6.521 -1.115 1.00 1.06 C ATOM 1106 CD LYS A 91 -16.275 7.556 -0.334 1.00 1.51 C ATOM 1107 CE LYS A 91 -17.633 7.808 -0.963 1.00 1.83 C ATOM 1108 NZ LYS A 91 -18.439 6.563 -1.058 1.00 2.41 N ATOM 0 H LYS A 91 -13.936 7.790 1.440 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.072 5.235 1.104 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -13.539 7.203 -0.551 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.580 5.551 -1.136 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.377 6.853 -2.147 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -16.043 5.584 -1.139 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -16.406 7.217 0.694 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -15.713 8.489 -0.293 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -18.175 8.547 -0.373 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -17.499 8.231 -1.959 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -19.429 6.805 -1.266 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -18.062 5.963 -1.819 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -18.391 6.049 -0.155 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.826 5.341 1.508 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.633 4.543 1.701 1.00 0.67 C ATOM 1124 C ALA A 92 -10.783 3.667 2.925 1.00 0.68 C ATOM 1125 O ALA A 92 -10.505 2.471 2.878 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.407 5.434 1.833 1.00 0.74 C ATOM 0 H ALA A 92 -11.695 6.339 1.674 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.499 3.905 0.828 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.521 4.815 1.977 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.290 6.029 0.927 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.530 6.097 2.689 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.251 4.261 4.014 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.387 3.531 5.259 1.00 0.71 C ATOM 1134 C LYS A 93 -12.560 2.557 5.190 1.00 0.70 C ATOM 1135 O LYS A 93 -12.520 1.485 5.795 1.00 0.79 O ATOM 1136 CB LYS A 93 -11.545 4.486 6.450 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.890 5.192 6.514 1.00 1.09 C ATOM 1138 CD LYS A 93 -12.993 6.074 7.745 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.399 6.628 7.924 1.00 2.00 C ATOM 1140 NZ LYS A 93 -15.399 5.550 8.147 1.00 2.44 N ATOM 0 H LYS A 93 -11.540 5.238 4.058 1.00 0.64 H new ATOM 0 HA LYS A 93 -10.472 2.957 5.410 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.399 3.924 7.373 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -10.756 5.237 6.406 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.028 5.797 5.618 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.691 4.453 6.526 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -12.713 5.500 8.628 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -12.285 6.898 7.662 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -14.413 7.316 8.770 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -14.677 7.203 7.041 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -16.269 5.960 8.544 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.617 5.086 7.242 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -15.012 4.849 8.811 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.594 2.926 4.438 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.762 2.071 4.273 1.00 0.71 C ATOM 1156 C LYS A 94 -14.376 0.810 3.513 1.00 0.67 C ATOM 1157 O LYS A 94 -14.662 -0.307 3.949 1.00 0.74 O ATOM 1158 CB LYS A 94 -15.881 2.831 3.543 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.215 2.094 3.501 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.334 1.188 2.283 1.00 1.79 C ATOM 1161 CE LYS A 94 -18.562 0.295 2.369 1.00 2.57 C ATOM 1162 NZ LYS A 94 -19.800 1.065 2.664 1.00 2.85 N ATOM 0 H LYS A 94 -13.645 3.811 3.934 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.136 1.782 5.256 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.027 3.795 4.030 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.559 3.035 2.522 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -17.328 1.498 4.407 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -18.029 2.819 3.493 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -17.388 1.796 1.380 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -16.439 0.571 2.199 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -18.686 -0.241 1.428 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -18.410 -0.455 3.145 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.630 0.453 2.530 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.773 1.402 3.648 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -19.864 1.880 2.021 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.701 0.996 2.385 1.00 0.60 N ATOM 1177 CA ALA A 95 -13.252 -0.124 1.575 1.00 0.60 C ATOM 1178 C ALA A 95 -12.196 -0.935 2.324 1.00 0.57 C ATOM 1179 O ALA A 95 -12.110 -2.153 2.176 1.00 0.57 O ATOM 1180 CB ALA A 95 -12.716 0.377 0.242 1.00 0.63 C ATOM 0 H ALA A 95 -13.454 1.913 2.013 1.00 0.60 H new ATOM 0 HA ALA A 95 -14.099 -0.780 1.377 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -12.382 -0.470 -0.357 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -13.504 0.910 -0.290 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.877 1.051 0.417 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.413 -0.248 3.150 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.397 -0.894 3.972 1.00 0.58 C ATOM 1188 C ALA A 96 -11.019 -1.890 4.945 1.00 0.56 C ATOM 1189 O ALA A 96 -10.448 -2.947 5.212 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.597 0.148 4.738 1.00 0.64 C ATOM 0 H ALA A 96 -11.464 0.764 3.268 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.730 -1.442 3.306 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.842 -0.349 5.348 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.109 0.822 4.034 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.266 0.719 5.382 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.192 -1.549 5.469 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.883 -2.412 6.421 1.00 0.63 C ATOM 1198 C GLU A 97 -13.406 -3.669 5.743 1.00 0.55 C ATOM 1199 O GLU A 97 -13.649 -4.684 6.398 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.031 -1.666 7.095 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.569 -0.505 7.954 1.00 1.46 C ATOM 1202 CD GLU A 97 -14.688 0.123 8.751 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -15.235 1.154 8.307 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -15.011 -0.403 9.835 1.00 2.39 O ATOM 0 H GLU A 97 -12.684 -0.682 5.251 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.161 -2.707 7.183 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.713 -1.294 6.330 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.596 -2.364 7.713 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -12.794 -0.852 8.638 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -13.115 0.253 7.316 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.581 -3.600 4.433 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.998 -4.761 3.665 1.00 0.57 C ATOM 1213 C GLU A 98 -12.774 -5.565 3.236 1.00 0.52 C ATOM 1214 O GLU A 98 -12.721 -6.783 3.403 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.800 -4.330 2.433 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.970 -3.407 2.746 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.937 -3.996 3.755 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.087 -3.414 4.848 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -17.554 -5.039 3.460 1.00 2.66 O ATOM 0 H GLU A 98 -13.441 -2.754 3.881 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.635 -5.384 4.292 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -14.131 -3.827 1.735 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -15.177 -5.220 1.929 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.587 -2.461 3.128 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.507 -3.185 1.824 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.772 -4.860 2.722 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.573 -5.491 2.184 1.00 0.49 C ATOM 1228 C ALA A 99 -9.698 -6.106 3.274 1.00 0.46 C ATOM 1229 O ALA A 99 -8.810 -6.906 2.984 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.772 -4.482 1.380 1.00 0.58 C ATOM 0 H ALA A 99 -11.768 -3.842 2.667 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.899 -6.305 1.536 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.878 -4.962 0.982 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.380 -4.108 0.557 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.482 -3.652 2.024 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.951 -5.745 4.530 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.160 -6.266 5.644 1.00 0.53 C ATOM 1238 C ARG A 100 -9.330 -7.779 5.777 1.00 0.51 C ATOM 1239 O ARG A 100 -8.538 -8.443 6.446 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.518 -5.550 6.956 1.00 0.64 C ATOM 1241 CG ARG A 100 -10.955 -5.741 7.426 1.00 1.22 C ATOM 1242 CD ARG A 100 -11.130 -7.022 8.229 1.00 1.52 C ATOM 1243 NE ARG A 100 -10.286 -7.038 9.421 1.00 2.17 N ATOM 1244 CZ ARG A 100 -10.151 -8.088 10.226 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -10.779 -9.228 9.957 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -9.385 -7.993 11.306 1.00 3.77 N ATOM 0 H ARG A 100 -10.692 -5.099 4.801 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.110 -6.067 5.432 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -8.846 -5.902 7.739 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.331 -4.483 6.832 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -11.253 -4.888 8.036 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -11.619 -5.762 6.562 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -12.175 -7.126 8.523 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -10.888 -7.880 7.601 1.00 1.52 H new ATOM 0 HE ARG A 100 -9.767 -6.190 9.651 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -11.369 -9.302 9.128 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -10.671 -10.029 10.579 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -8.904 -7.118 11.515 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -9.278 -8.795 11.927 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.364 -8.316 5.134 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.580 -9.757 5.083 1.00 0.58 C ATOM 1262 C LYS A 101 -9.400 -10.449 4.399 1.00 0.63 C ATOM 1263 O LYS A 101 -9.018 -11.564 4.759 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.882 -10.063 4.337 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.033 -11.520 3.937 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.325 -11.766 3.178 1.00 1.81 C ATOM 1267 CE LYS A 101 -13.335 -13.145 2.536 1.00 2.63 C ATOM 1268 NZ LYS A 101 -13.062 -14.221 3.524 1.00 3.24 N ATOM 0 H LYS A 101 -11.069 -7.770 4.639 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.659 -10.138 6.101 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -12.725 -9.780 4.967 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.931 -9.443 3.442 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -11.186 -11.817 3.318 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.011 -12.146 4.829 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -14.172 -11.673 3.858 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.448 -11.004 2.409 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.304 -13.320 2.068 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -12.587 -13.182 1.744 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -13.227 -15.148 3.082 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -12.073 -14.159 3.840 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -13.694 -14.110 4.342 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.813 -9.763 3.426 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.671 -10.288 2.691 1.00 0.71 C ATOM 1284 C TRP A 102 -6.375 -9.737 3.270 1.00 0.64 C ATOM 1285 O TRP A 102 -5.338 -9.729 2.607 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.788 -9.930 1.208 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.972 -10.561 0.541 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -8.985 -11.729 -0.160 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.314 -10.062 0.518 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -10.252 -11.988 -0.618 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.085 -10.981 -0.215 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -10.940 -8.932 1.046 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.448 -10.803 -0.435 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -12.292 -8.755 0.828 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -13.033 -9.687 0.093 1.00 2.21 C ATOM 0 H TRP A 102 -9.113 -8.835 3.127 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.660 -11.374 2.787 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.856 -8.847 1.106 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.880 -10.242 0.693 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -8.124 -12.359 -0.330 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -10.528 -12.800 -1.170 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -10.376 -8.208 1.616 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.022 -11.521 -1.002 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -12.785 -7.883 1.231 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -14.089 -9.521 -0.060 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.460 -9.272 4.516 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.313 -8.736 5.245 1.00 0.64 C ATOM 1308 C ASN A 103 -4.763 -7.486 4.569 1.00 0.56 C ATOM 1309 O ASN A 103 -3.549 -7.281 4.500 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.211 -9.793 5.398 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.643 -10.972 6.249 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -4.511 -10.951 7.474 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -5.147 -12.013 5.607 1.00 2.00 N ATOM 0 H ASN A 103 -7.329 -9.257 5.049 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.660 -8.458 6.240 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.917 -10.151 4.411 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.330 -9.331 5.845 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -5.443 -12.839 6.128 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -5.239 -11.990 4.591 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.662 -6.653 4.065 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.274 -5.394 3.452 1.00 0.45 C ATOM 1322 C VAL A 104 -5.334 -4.270 4.483 1.00 0.48 C ATOM 1323 O VAL A 104 -6.409 -3.929 4.986 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.181 -5.043 2.252 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.730 -3.750 1.590 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.202 -6.184 1.244 1.00 0.99 C ATOM 0 H VAL A 104 -6.667 -6.828 4.069 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.253 -5.505 3.086 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.194 -4.896 2.625 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.385 -3.525 0.748 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.776 -2.936 2.313 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.706 -3.862 1.234 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.846 -5.918 0.406 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.191 -6.367 0.880 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.584 -7.086 1.723 1.00 0.99 H new ATOM 1336 N ARG A 105 -4.178 -3.712 4.806 1.00 0.45 N ATOM 1337 CA ARG A 105 -4.091 -2.642 5.788 1.00 0.48 C ATOM 1338 C ARG A 105 -3.806 -1.316 5.097 1.00 0.44 C ATOM 1339 O ARG A 105 -2.914 -1.225 4.257 1.00 0.51 O ATOM 1340 CB ARG A 105 -3.003 -2.959 6.818 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.867 -1.915 7.916 1.00 1.28 C ATOM 1342 CD ARG A 105 -2.034 -2.434 9.080 1.00 1.72 C ATOM 1343 NE ARG A 105 -0.685 -2.832 8.674 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.134 -4.014 8.965 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -0.830 -4.940 9.619 1.00 3.33 N ATOM 1346 NH2 ARG A 105 1.110 -4.273 8.589 1.00 4.06 N ATOM 0 H ARG A 105 -3.283 -3.984 4.400 1.00 0.45 H new ATOM 0 HA ARG A 105 -5.046 -2.561 6.308 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -3.219 -3.925 7.274 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.047 -3.057 6.303 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -2.405 -1.016 7.509 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -3.857 -1.631 8.274 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -1.966 -1.661 9.846 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -2.540 -3.287 9.532 1.00 1.72 H new ATOM 0 HE ARG A 105 -0.131 -2.166 8.136 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -1.791 -4.750 9.902 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -0.402 -5.840 9.837 1.00 3.33 H new ATOM 0 HH21 ARG A 105 1.645 -3.571 8.078 1.00 4.06 H new ATOM 0 HH22 ARG A 105 1.532 -5.175 8.810 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.576 -0.297 5.445 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.455 1.007 4.810 1.00 0.48 C ATOM 1362 C VAL A 106 -4.035 2.056 5.829 1.00 0.50 C ATOM 1363 O VAL A 106 -4.630 2.156 6.903 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.793 1.439 4.171 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.613 2.689 3.319 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.389 0.303 3.356 1.00 1.58 C ATOM 0 H VAL A 106 -5.295 -0.348 6.167 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.697 0.925 4.031 1.00 0.48 H new ATOM 0 HB VAL A 106 -6.490 1.682 4.973 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.570 2.972 2.881 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.244 3.504 3.942 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -4.895 2.487 2.524 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.331 0.627 2.914 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -5.695 0.020 2.564 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -6.569 -0.555 4.004 1.00 1.58 H new ATOM 1376 N ARG A 107 -3.012 2.830 5.503 1.00 0.46 N ATOM 1377 CA ARG A 107 -2.552 3.889 6.390 1.00 0.58 C ATOM 1378 C ARG A 107 -2.040 5.085 5.600 1.00 0.49 C ATOM 1379 O ARG A 107 -1.671 4.961 4.430 1.00 0.48 O ATOM 1380 CB ARG A 107 -1.456 3.375 7.323 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.288 2.724 6.603 1.00 1.02 C ATOM 1382 CD ARG A 107 0.868 2.466 7.551 1.00 0.90 C ATOM 1383 NE ARG A 107 0.461 1.690 8.722 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.302 1.276 9.668 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.592 1.568 9.592 1.00 2.26 N ATOM 1386 NH2 ARG A 107 0.847 0.580 10.700 1.00 3.00 N ATOM 0 H ARG A 107 -2.485 2.746 4.634 1.00 0.46 H new ATOM 0 HA ARG A 107 -3.404 4.210 6.988 1.00 0.58 H new ATOM 0 HB2 ARG A 107 -1.083 4.206 7.921 1.00 0.74 H new ATOM 0 HB3 ARG A 107 -1.891 2.654 8.015 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.612 1.784 6.156 1.00 1.02 H new ATOM 0 HG3 ARG A 107 0.044 3.367 5.788 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.658 1.933 7.021 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.288 3.418 7.876 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.526 1.452 8.820 1.00 1.58 H new ATOM 0 HH11 ARG A 107 2.946 2.113 8.806 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.231 1.248 10.320 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -0.147 0.362 10.769 1.00 3.00 H new ATOM 0 HH22 ARG A 107 1.491 0.263 11.425 1.00 3.00 H new ATOM 1400 N THR A 108 -2.025 6.238 6.252 1.00 0.56 N ATOM 1401 CA THR A 108 -1.561 7.470 5.635 1.00 0.51 C ATOM 1402 C THR A 108 -0.145 7.799 6.092 1.00 0.52 C ATOM 1403 O THR A 108 0.140 7.815 7.292 1.00 0.66 O ATOM 1404 CB THR A 108 -2.481 8.649 6.001 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.853 8.240 5.937 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.257 9.826 5.062 1.00 0.68 C ATOM 0 H THR A 108 -2.333 6.345 7.219 1.00 0.56 H new ATOM 0 HA THR A 108 -1.575 7.319 4.556 1.00 0.51 H new ATOM 0 HB THR A 108 -2.241 8.963 7.017 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.431 8.995 6.173 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.919 10.646 5.342 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.221 10.156 5.133 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.471 9.520 4.038 1.00 0.68 H new ATOM 1414 N VAL A 109 0.738 8.057 5.143 1.00 0.47 N ATOM 1415 CA VAL A 109 2.101 8.446 5.463 1.00 0.55 C ATOM 1416 C VAL A 109 2.360 9.874 5.005 1.00 0.57 C ATOM 1417 O VAL A 109 1.872 10.303 3.958 1.00 0.62 O ATOM 1418 CB VAL A 109 3.143 7.484 4.849 1.00 0.67 C ATOM 1419 CG1 VAL A 109 3.055 6.120 5.515 1.00 1.51 C ATOM 1420 CG2 VAL A 109 2.956 7.351 3.345 1.00 1.05 C ATOM 0 H VAL A 109 0.536 8.004 4.145 1.00 0.47 H new ATOM 0 HA VAL A 109 2.211 8.389 6.546 1.00 0.55 H new ATOM 0 HB VAL A 109 4.133 7.903 5.026 1.00 0.67 H new ATOM 0 HG11 VAL A 109 3.794 5.451 5.074 1.00 1.51 H new ATOM 0 HG12 VAL A 109 3.250 6.223 6.582 1.00 1.51 H new ATOM 0 HG13 VAL A 109 2.057 5.707 5.367 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.705 6.668 2.944 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.960 6.962 3.135 1.00 1.05 H new ATOM 0 HG23 VAL A 109 3.069 8.329 2.876 1.00 1.05 H new ATOM 1430 N THR A 110 3.100 10.618 5.809 1.00 0.70 N ATOM 1431 CA THR A 110 3.315 12.028 5.547 1.00 0.84 C ATOM 1432 C THR A 110 4.780 12.322 5.212 1.00 0.84 C ATOM 1433 O THR A 110 5.089 13.318 4.557 1.00 0.97 O ATOM 1434 CB THR A 110 2.884 12.863 6.769 1.00 1.02 C ATOM 1435 OG1 THR A 110 1.684 12.308 7.326 1.00 1.55 O ATOM 1436 CG2 THR A 110 2.629 14.310 6.382 1.00 1.45 C ATOM 0 H THR A 110 3.562 10.268 6.648 1.00 0.70 H new ATOM 0 HA THR A 110 2.709 12.301 4.683 1.00 0.84 H new ATOM 0 HB THR A 110 3.690 12.837 7.502 1.00 1.02 H new ATOM 0 HG1 THR A 110 1.410 12.837 8.104 1.00 1.55 H new ATOM 0 HG21 THR A 110 2.327 14.875 7.264 1.00 1.45 H new ATOM 0 HG22 THR A 110 3.541 14.742 5.969 1.00 1.45 H new ATOM 0 HG23 THR A 110 1.837 14.353 5.635 1.00 1.45 H new ATOM 1444 N SER A 111 5.678 11.450 5.646 1.00 0.79 N ATOM 1445 CA SER A 111 7.101 11.675 5.448 1.00 0.85 C ATOM 1446 C SER A 111 7.761 10.474 4.771 1.00 0.76 C ATOM 1447 O SER A 111 7.351 9.330 4.976 1.00 0.69 O ATOM 1448 CB SER A 111 7.771 11.938 6.798 1.00 0.96 C ATOM 1449 OG SER A 111 7.561 10.853 7.689 1.00 1.52 O ATOM 0 H SER A 111 5.448 10.585 6.135 1.00 0.79 H new ATOM 0 HA SER A 111 7.224 12.542 4.799 1.00 0.85 H new ATOM 0 HB2 SER A 111 8.840 12.093 6.654 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.372 12.854 7.234 1.00 0.96 H new ATOM 0 HG SER A 111 8.000 11.043 8.545 1.00 1.52 H new ATOM 1455 N PRO A 112 8.788 10.731 3.937 1.00 0.82 N ATOM 1456 CA PRO A 112 9.607 9.673 3.328 1.00 0.80 C ATOM 1457 C PRO A 112 10.350 8.860 4.385 1.00 0.70 C ATOM 1458 O PRO A 112 10.730 7.711 4.152 1.00 0.74 O ATOM 1459 CB PRO A 112 10.600 10.439 2.443 1.00 0.95 C ATOM 1460 CG PRO A 112 9.990 11.782 2.244 1.00 1.05 C ATOM 1461 CD PRO A 112 9.211 12.070 3.494 1.00 0.97 C ATOM 0 HA PRO A 112 9.003 8.955 2.773 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.576 10.517 2.922 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.752 9.931 1.491 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.757 12.539 2.079 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.341 11.790 1.369 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.823 12.569 4.245 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.357 12.718 3.297 1.00 0.97 H new ATOM 1469 N ASP A 113 10.550 9.469 5.550 1.00 0.67 N ATOM 1470 CA ASP A 113 11.153 8.787 6.689 1.00 0.66 C ATOM 1471 C ASP A 113 10.262 7.643 7.135 1.00 0.59 C ATOM 1472 O ASP A 113 10.724 6.522 7.359 1.00 0.63 O ATOM 1473 CB ASP A 113 11.347 9.754 7.857 1.00 0.74 C ATOM 1474 CG ASP A 113 12.253 10.917 7.518 1.00 1.73 C ATOM 1475 OD1 ASP A 113 13.458 10.854 7.845 1.00 2.48 O ATOM 1476 OD2 ASP A 113 11.763 11.904 6.931 1.00 2.44 O ATOM 0 H ASP A 113 10.301 10.442 5.730 1.00 0.67 H new ATOM 0 HA ASP A 113 12.125 8.402 6.381 1.00 0.66 H new ATOM 0 HB2 ASP A 113 10.375 10.137 8.170 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.764 9.211 8.705 1.00 0.74 H new ATOM 1481 N GLU A 114 8.977 7.941 7.256 1.00 0.57 N ATOM 1482 CA GLU A 114 7.990 6.945 7.623 1.00 0.60 C ATOM 1483 C GLU A 114 7.890 5.894 6.523 1.00 0.52 C ATOM 1484 O GLU A 114 7.743 4.702 6.796 1.00 0.52 O ATOM 1485 CB GLU A 114 6.633 7.619 7.834 1.00 0.73 C ATOM 1486 CG GLU A 114 5.614 6.744 8.538 1.00 1.18 C ATOM 1487 CD GLU A 114 6.034 6.383 9.946 1.00 1.99 C ATOM 1488 OE1 GLU A 114 5.885 7.231 10.850 1.00 2.63 O ATOM 1489 OE2 GLU A 114 6.508 5.250 10.161 1.00 2.70 O ATOM 0 H GLU A 114 8.594 8.874 7.103 1.00 0.57 H new ATOM 0 HA GLU A 114 8.291 6.459 8.551 1.00 0.60 H new ATOM 0 HB2 GLU A 114 6.777 8.530 8.415 1.00 0.73 H new ATOM 0 HB3 GLU A 114 6.233 7.918 6.865 1.00 0.73 H new ATOM 0 HG2 GLU A 114 4.655 7.262 8.570 1.00 1.18 H new ATOM 0 HG3 GLU A 114 5.464 5.831 7.962 1.00 1.18 H new ATOM 1496 N ALA A 115 7.998 6.359 5.281 1.00 0.55 N ATOM 1497 CA ALA A 115 7.901 5.496 4.113 1.00 0.58 C ATOM 1498 C ALA A 115 8.926 4.371 4.150 1.00 0.51 C ATOM 1499 O ALA A 115 8.572 3.199 4.043 1.00 0.51 O ATOM 1500 CB ALA A 115 8.052 6.309 2.836 1.00 0.70 C ATOM 0 H ALA A 115 8.155 7.342 5.059 1.00 0.55 H new ATOM 0 HA ALA A 115 6.912 5.038 4.128 1.00 0.58 H new ATOM 0 HB1 ALA A 115 7.977 5.648 1.973 1.00 0.70 H new ATOM 0 HB2 ALA A 115 7.264 7.060 2.787 1.00 0.70 H new ATOM 0 HB3 ALA A 115 9.024 6.802 2.832 1.00 0.70 H new ATOM 1506 N LYS A 116 10.194 4.720 4.326 1.00 0.51 N ATOM 1507 CA LYS A 116 11.255 3.722 4.321 1.00 0.51 C ATOM 1508 C LYS A 116 11.127 2.764 5.506 1.00 0.44 C ATOM 1509 O LYS A 116 11.652 1.649 5.473 1.00 0.49 O ATOM 1510 CB LYS A 116 12.637 4.389 4.312 1.00 0.64 C ATOM 1511 CG LYS A 116 12.920 5.276 5.515 1.00 1.38 C ATOM 1512 CD LYS A 116 14.325 5.853 5.450 1.00 1.43 C ATOM 1513 CE LYS A 116 14.585 6.850 6.569 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.469 6.232 7.917 1.00 2.33 N ATOM 0 H LYS A 116 10.511 5.678 4.473 1.00 0.51 H new ATOM 0 HA LYS A 116 11.150 3.138 3.407 1.00 0.51 H new ATOM 0 HB2 LYS A 116 13.400 3.613 4.262 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.731 4.987 3.406 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.192 6.086 5.553 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.802 4.699 6.432 1.00 1.38 H new ATOM 0 HD2 LYS A 116 15.052 5.043 5.510 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.471 6.343 4.487 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.583 7.273 6.451 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.877 7.675 6.488 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 14.737 6.928 8.642 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 13.487 5.927 8.076 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.101 5.408 7.977 1.00 2.33 H new ATOM 1528 N ARG A 117 10.406 3.186 6.538 1.00 0.42 N ATOM 1529 CA ARG A 117 10.251 2.367 7.731 1.00 0.44 C ATOM 1530 C ARG A 117 9.203 1.276 7.525 1.00 0.43 C ATOM 1531 O ARG A 117 9.457 0.113 7.839 1.00 0.50 O ATOM 1532 CB ARG A 117 9.903 3.234 8.948 1.00 0.57 C ATOM 1533 CG ARG A 117 9.855 2.460 10.262 1.00 0.90 C ATOM 1534 CD ARG A 117 8.461 1.926 10.556 1.00 1.39 C ATOM 1535 NE ARG A 117 8.477 0.868 11.566 1.00 1.99 N ATOM 1536 CZ ARG A 117 7.603 0.772 12.567 1.00 2.83 C ATOM 1537 NH1 ARG A 117 6.686 1.714 12.755 1.00 3.30 N ATOM 1538 NH2 ARG A 117 7.655 -0.271 13.385 1.00 3.61 N ATOM 0 H ARG A 117 9.923 4.084 6.572 1.00 0.42 H new ATOM 0 HA ARG A 117 11.206 1.878 7.922 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.638 4.034 9.035 1.00 0.57 H new ATOM 0 HB3 ARG A 117 8.936 3.707 8.780 1.00 0.57 H new ATOM 0 HG2 ARG A 117 10.560 1.630 10.220 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.174 3.109 11.077 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.825 2.743 10.898 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.019 1.542 9.637 1.00 1.39 H new ATOM 0 HE ARG A 117 9.205 0.157 11.500 1.00 1.99 H new ATOM 0 HH11 ARG A 117 6.647 2.519 12.130 1.00 3.30 H new ATOM 0 HH12 ARG A 117 6.021 1.632 13.524 1.00 3.30 H new ATOM 0 HH21 ARG A 117 8.361 -0.994 13.246 1.00 3.61 H new ATOM 0 HH22 ARG A 117 6.989 -0.350 14.153 1.00 3.61 H new ATOM 1552 N TRP A 118 8.029 1.627 6.999 1.00 0.43 N ATOM 1553 CA TRP A 118 6.977 0.625 6.834 1.00 0.51 C ATOM 1554 C TRP A 118 7.378 -0.420 5.801 1.00 0.51 C ATOM 1555 O TRP A 118 6.919 -1.558 5.862 1.00 0.60 O ATOM 1556 CB TRP A 118 5.596 1.236 6.514 1.00 0.59 C ATOM 1557 CG TRP A 118 5.524 2.123 5.303 1.00 0.89 C ATOM 1558 CD1 TRP A 118 5.411 3.481 5.305 1.00 0.98 C ATOM 1559 CD2 TRP A 118 5.518 1.724 3.923 1.00 1.69 C ATOM 1560 NE1 TRP A 118 5.348 3.952 4.018 1.00 1.51 N ATOM 1561 CE2 TRP A 118 5.420 2.897 3.152 1.00 2.00 C ATOM 1562 CE3 TRP A 118 5.595 0.495 3.265 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 5.399 2.879 1.762 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 5.574 0.478 1.885 1.00 3.18 C ATOM 1565 CH2 TRP A 118 5.479 1.664 1.146 1.00 3.39 C ATOM 0 H TRP A 118 7.787 2.568 6.688 1.00 0.43 H new ATOM 0 HA TRP A 118 6.867 0.131 7.800 1.00 0.51 H new ATOM 0 HB2 TRP A 118 4.883 0.421 6.384 1.00 0.59 H new ATOM 0 HB3 TRP A 118 5.268 1.812 7.380 1.00 0.59 H new ATOM 0 HD1 TRP A 118 5.376 4.097 6.191 1.00 0.98 H new ATOM 0 HE1 TRP A 118 5.261 4.932 3.750 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.670 -0.425 3.825 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 5.322 3.793 1.191 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.632 -0.467 1.366 1.00 3.18 H new ATOM 0 HH2 TRP A 118 5.469 1.616 0.067 1.00 3.39 H new ATOM 1576 N ILE A 119 8.243 -0.037 4.863 1.00 0.48 N ATOM 1577 CA ILE A 119 8.739 -0.968 3.854 1.00 0.54 C ATOM 1578 C ILE A 119 9.469 -2.138 4.507 1.00 0.53 C ATOM 1579 O ILE A 119 9.111 -3.299 4.298 1.00 0.58 O ATOM 1580 CB ILE A 119 9.687 -0.276 2.846 1.00 0.60 C ATOM 1581 CG1 ILE A 119 8.951 0.844 2.109 1.00 0.67 C ATOM 1582 CG2 ILE A 119 10.246 -1.291 1.854 1.00 0.69 C ATOM 1583 CD1 ILE A 119 9.814 1.602 1.125 1.00 0.81 C ATOM 0 H ILE A 119 8.613 0.910 4.782 1.00 0.48 H new ATOM 0 HA ILE A 119 7.868 -1.337 3.312 1.00 0.54 H new ATOM 0 HB ILE A 119 10.521 0.160 3.397 1.00 0.60 H new ATOM 0 HG12 ILE A 119 8.100 0.418 1.578 1.00 0.67 H new ATOM 0 HG13 ILE A 119 8.551 1.545 2.841 1.00 0.67 H new ATOM 0 HG21 ILE A 119 10.911 -0.786 1.153 1.00 0.69 H new ATOM 0 HG22 ILE A 119 10.802 -2.058 2.393 1.00 0.69 H new ATOM 0 HG23 ILE A 119 9.425 -1.755 1.307 1.00 0.69 H new ATOM 0 HD11 ILE A 119 9.220 2.379 0.643 1.00 0.81 H new ATOM 0 HD12 ILE A 119 10.651 2.060 1.652 1.00 0.81 H new ATOM 0 HD13 ILE A 119 10.194 0.915 0.369 1.00 0.81 H new ATOM 1595 N LYS A 120 10.474 -1.828 5.321 1.00 0.52 N ATOM 1596 CA LYS A 120 11.271 -2.864 5.968 1.00 0.57 C ATOM 1597 C LYS A 120 10.432 -3.634 6.986 1.00 0.56 C ATOM 1598 O LYS A 120 10.580 -4.847 7.141 1.00 0.61 O ATOM 1599 CB LYS A 120 12.506 -2.256 6.654 1.00 0.66 C ATOM 1600 CG LYS A 120 12.179 -1.295 7.787 1.00 1.08 C ATOM 1601 CD LYS A 120 13.404 -0.961 8.626 1.00 1.68 C ATOM 1602 CE LYS A 120 13.940 -2.194 9.341 1.00 2.25 C ATOM 1603 NZ LYS A 120 14.982 -1.852 10.342 1.00 2.76 N ATOM 0 H LYS A 120 10.754 -0.874 5.547 1.00 0.52 H new ATOM 0 HA LYS A 120 11.608 -3.557 5.197 1.00 0.57 H new ATOM 0 HB2 LYS A 120 13.125 -3.063 7.045 1.00 0.66 H new ATOM 0 HB3 LYS A 120 13.101 -1.731 5.907 1.00 0.66 H new ATOM 0 HG2 LYS A 120 11.762 -0.377 7.374 1.00 1.08 H new ATOM 0 HG3 LYS A 120 11.412 -1.735 8.425 1.00 1.08 H new ATOM 0 HD2 LYS A 120 14.181 -0.542 7.987 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.147 -0.196 9.359 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.118 -2.711 9.836 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.356 -2.885 8.608 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 15.318 -2.721 10.804 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.779 -1.382 9.867 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.580 -1.213 11.057 1.00 2.76 H new ATOM 1617 N GLU A 121 9.528 -2.926 7.650 1.00 0.56 N ATOM 1618 CA GLU A 121 8.721 -3.504 8.716 1.00 0.63 C ATOM 1619 C GLU A 121 7.655 -4.446 8.151 1.00 0.67 C ATOM 1620 O GLU A 121 7.208 -5.373 8.827 1.00 0.79 O ATOM 1621 CB GLU A 121 8.057 -2.385 9.522 1.00 0.71 C ATOM 1622 CG GLU A 121 7.542 -2.823 10.881 1.00 1.18 C ATOM 1623 CD GLU A 121 8.662 -3.163 11.843 1.00 1.87 C ATOM 1624 OE1 GLU A 121 8.976 -4.360 12.006 1.00 2.50 O ATOM 1625 OE2 GLU A 121 9.236 -2.230 12.444 1.00 2.57 O ATOM 0 H GLU A 121 9.334 -1.942 7.467 1.00 0.56 H new ATOM 0 HA GLU A 121 9.374 -4.085 9.367 1.00 0.63 H new ATOM 0 HB2 GLU A 121 8.775 -1.576 9.661 1.00 0.71 H new ATOM 0 HB3 GLU A 121 7.227 -1.979 8.944 1.00 0.71 H new ATOM 0 HG2 GLU A 121 6.930 -2.028 11.307 1.00 1.18 H new ATOM 0 HG3 GLU A 121 6.896 -3.692 10.758 1.00 1.18 H new ATOM 1632 N PHE A 122 7.248 -4.204 6.911 1.00 0.65 N ATOM 1633 CA PHE A 122 6.208 -5.007 6.279 1.00 0.76 C ATOM 1634 C PHE A 122 6.814 -6.192 5.533 1.00 0.78 C ATOM 1635 O PHE A 122 6.128 -7.172 5.239 1.00 0.89 O ATOM 1636 CB PHE A 122 5.387 -4.136 5.322 1.00 0.86 C ATOM 1637 CG PHE A 122 4.120 -4.781 4.836 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.979 -5.154 3.509 1.00 2.24 C ATOM 1639 CD2 PHE A 122 3.066 -5.005 5.708 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.810 -5.740 3.063 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.897 -5.591 5.267 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.769 -5.958 3.942 1.00 3.02 C ATOM 0 H PHE A 122 7.622 -3.459 6.323 1.00 0.65 H new ATOM 0 HA PHE A 122 5.551 -5.398 7.056 1.00 0.76 H new ATOM 0 HB2 PHE A 122 5.136 -3.201 5.824 1.00 0.86 H new ATOM 0 HB3 PHE A 122 6.005 -3.880 4.461 1.00 0.86 H new ATOM 0 HD1 PHE A 122 4.791 -4.985 2.817 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.161 -4.718 6.745 1.00 1.98 H new ATOM 0 HE1 PHE A 122 2.711 -6.027 2.027 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.084 -5.762 5.957 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.855 -6.415 3.594 1.00 3.02 H new ATOM 1652 N SER A 123 8.105 -6.102 5.240 1.00 0.72 N ATOM 1653 CA SER A 123 8.798 -7.146 4.499 1.00 0.79 C ATOM 1654 C SER A 123 8.947 -8.410 5.346 1.00 0.81 C ATOM 1655 O SER A 123 8.878 -9.527 4.831 1.00 1.02 O ATOM 1656 CB SER A 123 10.172 -6.644 4.042 1.00 0.82 C ATOM 1657 OG SER A 123 10.848 -7.615 3.256 1.00 1.40 O ATOM 0 H SER A 123 8.695 -5.313 5.506 1.00 0.72 H new ATOM 0 HA SER A 123 8.203 -7.396 3.621 1.00 0.79 H new ATOM 0 HB2 SER A 123 10.052 -5.727 3.465 1.00 0.82 H new ATOM 0 HB3 SER A 123 10.777 -6.395 4.913 1.00 0.82 H new ATOM 0 HG SER A 123 11.816 -7.515 3.374 1.00 1.40 H new ATOM 1663 N GLU A 124 9.140 -8.230 6.644 1.00 0.80 N ATOM 1664 CA GLU A 124 9.287 -9.358 7.550 1.00 1.00 C ATOM 1665 C GLU A 124 7.961 -9.652 8.246 1.00 1.48 C ATOM 1666 O GLU A 124 6.993 -8.908 8.074 1.00 2.09 O ATOM 1667 CB GLU A 124 10.376 -9.073 8.585 1.00 1.88 C ATOM 1668 CG GLU A 124 10.097 -7.858 9.450 1.00 2.61 C ATOM 1669 CD GLU A 124 11.199 -7.601 10.448 1.00 3.54 C ATOM 1670 OE1 GLU A 124 12.080 -6.762 10.161 1.00 4.12 O ATOM 1671 OE2 GLU A 124 11.198 -8.242 11.520 1.00 4.14 O ATOM 0 H GLU A 124 9.198 -7.316 7.092 1.00 0.80 H new ATOM 0 HA GLU A 124 9.580 -10.233 6.970 1.00 1.00 H new ATOM 0 HB2 GLU A 124 10.491 -9.946 9.228 1.00 1.88 H new ATOM 0 HB3 GLU A 124 11.326 -8.930 8.069 1.00 1.88 H new ATOM 0 HG2 GLU A 124 9.975 -6.982 8.813 1.00 2.61 H new ATOM 0 HG3 GLU A 124 9.155 -8.001 9.980 1.00 2.61 H new