USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 122:sc= 1.02 USER MOD Set 1.2: A 72 TYR OH : rot 110:sc= -0.761 USER MOD Set 2.1: A 35 SER OG : rot 75:sc= 0.719 USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= 0.6 F(o=0.44,f=1.3) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -3.51! USER MOD Set 3.2: A 62 THR OG1 : rot -99:sc= 0.734 USER MOD Set 4.1: A 12 ASN :FLIP amide:sc= -0.107 F(o=-0.0021,f=1.1) USER MOD Set 4.2: A 14 THR OG1 : rot 92:sc= 1.18 USER MOD Set 4.3: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.179) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 42:sc= 0.301 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 151:sc= -0.827 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= 0.751 F(o=-0.71,f=0.75) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.72 K(o=-0.72,f=-5.7!) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00963 USER MOD Single : A 59 ASN : amide:sc= -4.06 K(o=-4.1,f=-8.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.63! C(o=-8.6!,f=-15!) USER MOD Single : A 86 SER OG : rot -88:sc= 0.467 USER MOD Single : A 89 SER OG : rot -88:sc= -0.922 USER MOD Single : A 92 SER OG : rot -95:sc= -0.222! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 97 CYS SG : rot 64:sc= -2.84! USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.751 -3.073 -5.656 1.00 0.68 N ATOM 27 CA ILE A 2 -17.687 -2.462 -4.870 1.00 0.61 C ATOM 28 C ILE A 2 -16.482 -2.122 -5.740 1.00 0.57 C ATOM 29 O ILE A 2 -16.183 -2.823 -6.708 1.00 0.63 O ATOM 30 CB ILE A 2 -17.237 -3.384 -3.719 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.283 -2.630 -2.782 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.584 -4.642 -4.277 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.540 -3.509 -1.790 1.00 0.56 C ATOM 0 HA ILE A 2 -18.094 -1.543 -4.449 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.110 -3.687 -3.141 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.553 -2.091 -3.386 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.853 -1.884 -2.229 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.271 -5.285 -3.454 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.299 -5.176 -4.903 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.714 -4.367 -4.874 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.890 -2.890 -1.171 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.258 -4.029 -1.156 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.938 -4.239 -2.331 1.00 0.56 H new ATOM 45 N ASP A 3 -15.793 -1.043 -5.387 1.00 0.55 N ATOM 46 CA ASP A 3 -14.617 -0.605 -6.128 1.00 0.54 C ATOM 47 C ASP A 3 -13.466 -0.301 -5.172 1.00 0.47 C ATOM 48 O ASP A 3 -13.644 0.423 -4.192 1.00 0.49 O ATOM 49 CB ASP A 3 -14.948 0.640 -6.956 1.00 0.61 C ATOM 50 CG ASP A 3 -15.637 0.302 -8.263 1.00 1.15 C ATOM 51 OD1 ASP A 3 -15.229 -0.684 -8.912 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.586 1.023 -8.637 1.00 1.64 O ATOM 0 H ASP A 3 -16.030 -0.454 -4.589 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.313 -1.409 -6.799 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.588 1.301 -6.372 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.029 1.188 -7.165 1.00 0.61 H new ATOM 57 N PRO A 4 -12.267 -0.851 -5.434 1.00 0.44 N ATOM 58 CA PRO A 4 -11.100 -0.630 -4.586 1.00 0.41 C ATOM 59 C PRO A 4 -10.376 0.675 -4.912 1.00 0.38 C ATOM 60 O PRO A 4 -10.510 1.215 -6.011 1.00 0.43 O ATOM 61 CB PRO A 4 -10.222 -1.838 -4.891 1.00 0.45 C ATOM 62 CG PRO A 4 -10.545 -2.203 -6.302 1.00 0.50 C ATOM 63 CD PRO A 4 -11.955 -1.732 -6.574 1.00 0.50 C ATOM 0 HA PRO A 4 -11.365 -0.535 -3.533 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.165 -1.597 -4.778 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.435 -2.663 -4.211 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.843 -1.734 -6.991 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.464 -3.280 -6.449 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.020 -1.196 -7.521 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.650 -2.569 -6.633 1.00 0.50 H new ATOM 71 N PRO A 5 -9.601 1.202 -3.949 1.00 0.37 N ATOM 72 CA PRO A 5 -8.855 2.454 -4.116 1.00 0.39 C ATOM 73 C PRO A 5 -8.059 2.519 -5.414 1.00 0.38 C ATOM 74 O PRO A 5 -8.115 1.610 -6.243 1.00 0.47 O ATOM 75 CB PRO A 5 -7.908 2.487 -2.909 1.00 0.46 C ATOM 76 CG PRO A 5 -8.051 1.165 -2.228 1.00 0.71 C ATOM 77 CD PRO A 5 -9.396 0.629 -2.614 1.00 0.43 C ATOM 0 HA PRO A 5 -9.535 3.304 -4.168 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.878 2.651 -3.227 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.167 3.302 -2.234 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.259 0.483 -2.536 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.974 1.276 -1.146 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.407 -0.461 -2.635 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.172 0.942 -1.916 1.00 0.43 H new ATOM 85 N GLY A 6 -7.318 3.614 -5.579 1.00 0.37 N ATOM 86 CA GLY A 6 -6.512 3.809 -6.773 1.00 0.39 C ATOM 87 C GLY A 6 -5.079 3.336 -6.604 1.00 0.42 C ATOM 88 O GLY A 6 -4.641 3.043 -5.491 1.00 0.66 O ATOM 0 H GLY A 6 -7.262 4.374 -4.901 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -6.970 3.274 -7.605 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.511 4.867 -7.036 1.00 0.39 H new ATOM 92 N LYS A 7 -4.345 3.266 -7.714 1.00 0.41 N ATOM 93 CA LYS A 7 -2.950 2.830 -7.691 1.00 0.44 C ATOM 94 C LYS A 7 -2.141 3.649 -6.683 1.00 0.37 C ATOM 95 O LYS A 7 -2.173 4.879 -6.717 1.00 0.42 O ATOM 96 CB LYS A 7 -2.337 2.970 -9.085 1.00 0.54 C ATOM 97 CG LYS A 7 -1.496 1.777 -9.503 1.00 0.64 C ATOM 98 CD LYS A 7 -0.218 1.682 -8.684 1.00 1.01 C ATOM 99 CE LYS A 7 1.007 1.553 -9.575 1.00 0.95 C ATOM 100 NZ LYS A 7 2.039 2.575 -9.249 1.00 1.52 N ATOM 0 H LYS A 7 -4.694 3.506 -8.642 1.00 0.41 H new ATOM 0 HA LYS A 7 -2.922 1.784 -7.387 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.137 3.112 -9.812 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -1.718 3.867 -9.112 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -2.076 0.862 -9.382 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.246 1.859 -10.561 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.121 2.567 -8.056 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.276 0.822 -8.016 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.434 0.557 -9.463 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.710 1.657 -10.619 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.858 2.454 -9.878 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.639 3.526 -9.380 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 2.341 2.460 -8.261 1.00 1.52 H new ATOM 114 N PRO A 8 -1.404 2.993 -5.762 1.00 0.34 N ATOM 115 CA PRO A 8 -0.602 3.692 -4.749 1.00 0.32 C ATOM 116 C PRO A 8 0.673 4.299 -5.324 1.00 0.33 C ATOM 117 O PRO A 8 1.576 3.581 -5.755 1.00 0.44 O ATOM 118 CB PRO A 8 -0.251 2.586 -3.737 1.00 0.39 C ATOM 119 CG PRO A 8 -1.106 1.424 -4.118 1.00 0.44 C ATOM 120 CD PRO A 8 -1.282 1.535 -5.602 1.00 0.41 C ATOM 0 HA PRO A 8 -1.148 4.531 -4.318 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.807 2.329 -3.785 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.455 2.907 -2.716 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.632 0.481 -3.847 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.067 1.457 -3.604 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.431 1.130 -6.150 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.168 1.006 -5.953 1.00 0.41 H new ATOM 128 N VAL A 9 0.746 5.628 -5.321 1.00 0.34 N ATOM 129 CA VAL A 9 1.916 6.326 -5.832 1.00 0.38 C ATOM 130 C VAL A 9 2.764 6.869 -4.683 1.00 0.34 C ATOM 131 O VAL A 9 2.372 7.824 -4.010 1.00 0.35 O ATOM 132 CB VAL A 9 1.524 7.489 -6.765 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.749 8.555 -6.006 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.761 8.081 -7.421 1.00 0.53 C ATOM 0 H VAL A 9 0.009 6.239 -4.970 1.00 0.34 H new ATOM 0 HA VAL A 9 2.495 5.601 -6.405 1.00 0.38 H new ATOM 0 HB VAL A 9 0.874 7.098 -7.548 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.484 9.365 -6.685 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.159 8.118 -5.590 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.366 8.947 -5.198 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.468 8.901 -8.077 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.437 8.455 -6.652 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.266 7.312 -8.005 1.00 0.53 H new ATOM 144 N PRO A 10 3.937 6.257 -4.430 1.00 0.34 N ATOM 145 CA PRO A 10 4.827 6.678 -3.346 1.00 0.32 C ATOM 146 C PRO A 10 5.343 8.106 -3.493 1.00 0.37 C ATOM 147 O PRO A 10 6.226 8.375 -4.308 1.00 0.64 O ATOM 148 CB PRO A 10 5.995 5.693 -3.416 1.00 0.38 C ATOM 149 CG PRO A 10 5.491 4.537 -4.208 1.00 0.39 C ATOM 150 CD PRO A 10 4.476 5.101 -5.160 1.00 0.42 C ATOM 0 HA PRO A 10 4.294 6.673 -2.395 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.864 6.147 -3.893 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.306 5.381 -2.419 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.303 4.049 -4.747 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.042 3.785 -3.559 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.931 5.398 -6.105 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.698 4.375 -5.396 1.00 0.42 H new ATOM 158 N LEU A 11 4.805 9.016 -2.683 1.00 0.34 N ATOM 159 CA LEU A 11 5.240 10.408 -2.712 1.00 0.43 C ATOM 160 C LEU A 11 6.705 10.475 -2.305 1.00 0.43 C ATOM 161 O LEU A 11 7.470 11.311 -2.787 1.00 0.57 O ATOM 162 CB LEU A 11 4.397 11.271 -1.763 1.00 0.56 C ATOM 163 CG LEU A 11 2.876 11.214 -1.965 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.521 11.049 -3.438 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.270 10.093 -1.135 1.00 1.12 C ATOM 0 H LEU A 11 4.072 8.815 -2.003 1.00 0.34 H new ATOM 0 HA LEU A 11 5.112 10.796 -3.722 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.618 10.970 -0.739 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.718 12.308 -1.867 1.00 0.56 H new ATOM 0 HG LEU A 11 2.455 12.161 -1.626 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.437 11.012 -3.549 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.915 11.893 -4.004 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.956 10.124 -3.816 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.191 10.067 -1.290 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.703 9.140 -1.439 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.480 10.267 -0.080 1.00 1.12 H new ATOM 177 N ASN A 12 7.080 9.563 -1.415 1.00 0.34 N ATOM 178 CA ASN A 12 8.443 9.463 -0.919 1.00 0.36 C ATOM 179 C ASN A 12 8.796 7.996 -0.729 1.00 0.37 C ATOM 180 O ASN A 12 7.945 7.193 -0.351 1.00 0.58 O ATOM 181 CB ASN A 12 8.595 10.221 0.401 1.00 0.42 C ATOM 182 CG ASN A 12 10.046 10.380 0.813 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.654 9.293 1.273 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.614 11.468 0.720 1.00 0.71 N flip ATOM 0 H ASN A 12 6.444 8.872 -1.018 1.00 0.34 H new ATOM 0 HA ASN A 12 9.122 9.912 -1.644 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.137 11.206 0.306 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.053 9.692 1.185 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.109 12.278 0.361 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.590 11.560 1.002 1.00 0.71 H new ATOM 191 N ILE A 13 10.039 7.639 -1.004 1.00 0.38 N ATOM 192 CA ILE A 13 10.461 6.257 -0.871 1.00 0.43 C ATOM 193 C ILE A 13 11.845 6.137 -0.249 1.00 0.53 C ATOM 194 O ILE A 13 12.840 5.973 -0.953 1.00 0.75 O ATOM 195 CB ILE A 13 10.456 5.558 -2.235 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.211 6.411 -3.259 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.019 5.310 -2.679 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.003 5.969 -4.687 1.00 0.96 C ATOM 0 H ILE A 13 10.767 8.281 -1.318 1.00 0.38 H new ATOM 0 HA ILE A 13 9.747 5.772 -0.206 1.00 0.43 H new ATOM 0 HB ILE A 13 10.961 4.596 -2.156 1.00 0.48 H new ATOM 0 HG12 ILE A 13 10.893 7.449 -3.159 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.276 6.380 -3.030 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.019 4.813 -3.649 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.516 4.678 -1.947 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.493 6.262 -2.759 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.568 6.619 -5.355 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.347 4.941 -4.804 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.943 6.027 -4.935 1.00 0.96 H new ATOM 210 N THR A 14 11.900 6.211 1.075 1.00 0.59 N ATOM 211 CA THR A 14 13.165 6.099 1.784 1.00 0.71 C ATOM 212 C THR A 14 13.571 4.637 1.909 1.00 0.79 C ATOM 213 O THR A 14 12.723 3.744 1.937 1.00 1.46 O ATOM 214 CB THR A 14 13.077 6.742 3.168 1.00 0.75 C ATOM 215 OG1 THR A 14 11.832 7.396 3.342 1.00 0.69 O ATOM 216 CG2 THR A 14 14.168 7.758 3.420 1.00 0.94 C ATOM 0 H THR A 14 11.087 6.347 1.676 1.00 0.59 H new ATOM 0 HA THR A 14 13.924 6.630 1.210 1.00 0.71 H new ATOM 0 HB THR A 14 13.191 5.922 3.877 1.00 0.75 H new ATOM 0 HG1 THR A 14 11.191 6.776 3.748 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.050 8.178 4.419 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.141 7.274 3.342 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.100 8.556 2.681 1.00 0.94 H new ATOM 224 N ARG A 15 14.871 4.400 1.974 1.00 0.66 N ATOM 225 CA ARG A 15 15.399 3.050 2.086 1.00 0.67 C ATOM 226 C ARG A 15 14.831 2.314 3.304 1.00 0.71 C ATOM 227 O ARG A 15 14.858 1.084 3.361 1.00 1.19 O ATOM 228 CB ARG A 15 16.935 3.099 2.140 1.00 0.80 C ATOM 229 CG ARG A 15 17.518 3.282 3.535 1.00 0.96 C ATOM 230 CD ARG A 15 17.151 4.628 4.144 1.00 1.13 C ATOM 231 NE ARG A 15 18.190 5.629 3.923 1.00 1.43 N ATOM 232 CZ ARG A 15 18.258 6.777 4.586 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.348 7.069 5.505 1.00 1.90 N ATOM 234 NH2 ARG A 15 19.236 7.636 4.331 1.00 2.42 N ATOM 0 H ARG A 15 15.584 5.129 1.951 1.00 0.66 H new ATOM 0 HA ARG A 15 15.089 2.488 1.205 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.329 2.176 1.715 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.281 3.916 1.506 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.160 2.483 4.184 1.00 0.96 H new ATOM 0 HG3 ARG A 15 18.603 3.191 3.487 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.213 4.978 3.713 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.984 4.508 5.215 1.00 1.13 H new ATOM 0 HE ARG A 15 18.903 5.436 3.220 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.594 6.411 5.703 1.00 1.90 H new ATOM 0 HH12 ARG A 15 17.402 7.952 6.014 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.938 7.415 3.624 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.286 8.518 4.842 1.00 2.42 H new ATOM 248 N HIS A 16 14.324 3.062 4.280 1.00 0.50 N ATOM 249 CA HIS A 16 13.770 2.447 5.484 1.00 0.54 C ATOM 250 C HIS A 16 12.337 2.907 5.763 1.00 0.57 C ATOM 251 O HIS A 16 11.800 2.643 6.839 1.00 0.97 O ATOM 252 CB HIS A 16 14.660 2.749 6.690 1.00 0.67 C ATOM 253 CG HIS A 16 15.424 1.557 7.179 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.975 0.712 8.170 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.631 1.070 6.790 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.902 -0.240 8.349 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.925 -0.068 7.536 1.00 0.86 N ATOM 0 H HIS A 16 14.285 4.081 4.263 1.00 0.50 H new ATOM 0 HA HIS A 16 13.741 1.371 5.312 1.00 0.54 H new ATOM 0 HB2 HIS A 16 15.363 3.538 6.424 1.00 0.67 H new ATOM 0 HB3 HIS A 16 14.042 3.133 7.501 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.262 1.497 6.024 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.821 -1.043 9.066 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.760 -0.649 7.467 1.00 0.86 H new ATOM 265 N THR A 17 11.718 3.582 4.799 1.00 0.43 N ATOM 266 CA THR A 17 10.345 4.057 4.962 1.00 0.42 C ATOM 267 C THR A 17 9.793 4.572 3.640 1.00 0.38 C ATOM 268 O THR A 17 10.276 5.564 3.099 1.00 0.56 O ATOM 269 CB THR A 17 10.265 5.161 6.019 1.00 0.56 C ATOM 270 OG1 THR A 17 11.449 5.937 6.032 1.00 0.65 O ATOM 271 CG2 THR A 17 10.045 4.636 7.422 1.00 0.68 C ATOM 0 H THR A 17 12.142 3.812 3.900 1.00 0.43 H new ATOM 0 HA THR A 17 9.742 3.212 5.295 1.00 0.42 H new ATOM 0 HB THR A 17 9.403 5.764 5.735 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.374 6.637 6.714 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.998 5.472 8.120 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.109 4.079 7.459 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.869 3.979 7.698 1.00 0.68 H new ATOM 279 N VAL A 18 8.777 3.895 3.126 1.00 0.27 N ATOM 280 CA VAL A 18 8.167 4.293 1.867 1.00 0.33 C ATOM 281 C VAL A 18 6.767 4.860 2.086 1.00 0.32 C ATOM 282 O VAL A 18 5.879 4.179 2.599 1.00 0.51 O ATOM 283 CB VAL A 18 8.096 3.115 0.880 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.613 3.596 -0.477 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.453 2.431 0.764 1.00 0.46 C ATOM 0 H VAL A 18 8.359 3.071 3.559 1.00 0.27 H new ATOM 0 HA VAL A 18 8.800 5.070 1.439 1.00 0.33 H new ATOM 0 HB VAL A 18 7.382 2.384 1.259 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.567 2.753 -1.167 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.621 4.036 -0.375 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.304 4.345 -0.865 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.383 1.600 0.062 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.192 3.148 0.406 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.756 2.055 1.741 1.00 0.46 H new ATOM 295 N THR A 19 6.587 6.118 1.694 1.00 0.27 N ATOM 296 CA THR A 19 5.305 6.804 1.841 1.00 0.24 C ATOM 297 C THR A 19 4.536 6.806 0.521 1.00 0.22 C ATOM 298 O THR A 19 5.053 7.273 -0.493 1.00 0.34 O ATOM 299 CB THR A 19 5.549 8.249 2.302 1.00 0.28 C ATOM 300 OG1 THR A 19 5.944 8.284 3.661 1.00 0.35 O ATOM 301 CG2 THR A 19 4.341 9.154 2.154 1.00 0.32 C ATOM 0 H THR A 19 7.318 6.688 1.269 1.00 0.27 H new ATOM 0 HA THR A 19 4.709 6.275 2.585 1.00 0.24 H new ATOM 0 HB THR A 19 6.337 8.621 1.647 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.096 9.213 3.934 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.593 10.156 2.500 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.044 9.196 1.106 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.517 8.761 2.749 1.00 0.32 H new ATOM 309 N LEU A 20 3.299 6.302 0.537 1.00 0.28 N ATOM 310 CA LEU A 20 2.490 6.279 -0.677 1.00 0.26 C ATOM 311 C LEU A 20 1.055 6.714 -0.423 1.00 0.28 C ATOM 312 O LEU A 20 0.502 6.529 0.665 1.00 0.40 O ATOM 313 CB LEU A 20 2.506 4.900 -1.358 1.00 0.33 C ATOM 314 CG LEU A 20 2.922 3.708 -0.490 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.366 3.851 -0.051 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.003 3.548 0.711 1.00 0.52 C ATOM 0 H LEU A 20 2.845 5.912 1.363 1.00 0.28 H new ATOM 0 HA LEU A 20 2.950 7.001 -1.352 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.508 4.703 -1.751 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.181 4.950 -2.213 1.00 0.33 H new ATOM 0 HG LEU A 20 2.832 2.805 -1.094 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.645 2.996 0.565 1.00 0.50 H new ATOM 0 HD12 LEU A 20 5.011 3.892 -0.929 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.481 4.768 0.527 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.326 2.693 1.305 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.042 4.450 1.322 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.981 3.386 0.368 1.00 0.52 H new ATOM 328 N LYS A 21 0.469 7.297 -1.461 1.00 0.25 N ATOM 329 CA LYS A 21 -0.906 7.784 -1.421 1.00 0.31 C ATOM 330 C LYS A 21 -1.660 7.308 -2.662 1.00 0.31 C ATOM 331 O LYS A 21 -1.048 7.041 -3.695 1.00 0.51 O ATOM 332 CB LYS A 21 -0.919 9.313 -1.349 1.00 0.40 C ATOM 333 CG LYS A 21 -2.215 9.891 -0.810 1.00 0.81 C ATOM 334 CD LYS A 21 -3.318 9.847 -1.852 1.00 0.95 C ATOM 335 CE LYS A 21 -3.903 11.228 -2.113 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.276 11.890 -3.290 1.00 1.84 N ATOM 0 H LYS A 21 0.934 7.446 -2.357 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.399 7.388 -0.533 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -0.094 9.645 -0.718 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.740 9.716 -2.346 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.525 9.332 0.073 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -2.052 10.921 -0.494 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.924 9.437 -2.782 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -4.108 9.175 -1.517 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.977 11.141 -2.277 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.764 11.852 -1.230 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.705 12.827 -3.430 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.255 11.998 -3.125 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.430 11.308 -4.138 1.00 1.84 H new ATOM 350 N TRP A 22 -2.982 7.193 -2.562 1.00 0.25 N ATOM 351 CA TRP A 22 -3.781 6.734 -3.694 1.00 0.24 C ATOM 352 C TRP A 22 -5.117 7.466 -3.798 1.00 0.24 C ATOM 353 O TRP A 22 -5.402 8.385 -3.034 1.00 0.40 O ATOM 354 CB TRP A 22 -4.033 5.240 -3.563 1.00 0.27 C ATOM 355 CG TRP A 22 -4.614 4.862 -2.239 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.916 4.561 -1.974 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.913 4.753 -0.998 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.068 4.265 -0.642 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.852 4.376 -0.021 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.580 4.935 -0.618 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.501 4.177 1.311 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.233 4.737 0.705 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.190 4.360 1.655 1.00 0.32 C ATOM 0 H TRP A 22 -3.517 7.408 -1.720 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.217 6.950 -4.601 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.709 4.920 -4.356 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.095 4.704 -3.709 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.712 4.556 -2.704 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.944 4.005 -0.189 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.835 5.225 -1.345 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.237 3.888 2.046 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.207 4.875 1.011 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.887 4.211 2.681 1.00 0.32 H new ATOM 374 N ALA A 23 -5.930 7.038 -4.761 1.00 0.31 N ATOM 375 CA ALA A 23 -7.241 7.632 -4.990 1.00 0.33 C ATOM 376 C ALA A 23 -8.338 6.828 -4.299 1.00 0.36 C ATOM 377 O ALA A 23 -8.249 5.606 -4.188 1.00 0.83 O ATOM 378 CB ALA A 23 -7.516 7.724 -6.484 1.00 0.36 C ATOM 0 H ALA A 23 -5.700 6.276 -5.399 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.241 8.635 -4.564 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.498 8.169 -6.647 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.754 8.344 -6.957 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.494 6.725 -6.920 1.00 0.36 H new ATOM 384 N LYS A 24 -9.371 7.524 -3.837 1.00 0.59 N ATOM 385 CA LYS A 24 -10.490 6.880 -3.156 1.00 0.61 C ATOM 386 C LYS A 24 -11.514 6.368 -4.164 1.00 0.59 C ATOM 387 O LYS A 24 -11.816 7.044 -5.148 1.00 0.69 O ATOM 388 CB LYS A 24 -11.160 7.874 -2.202 1.00 0.74 C ATOM 389 CG LYS A 24 -12.018 7.220 -1.129 1.00 1.21 C ATOM 390 CD LYS A 24 -13.428 6.944 -1.631 1.00 1.22 C ATOM 391 CE LYS A 24 -14.245 8.222 -1.728 1.00 1.55 C ATOM 392 NZ LYS A 24 -14.580 8.771 -0.386 1.00 2.11 N ATOM 0 H LYS A 24 -9.457 8.537 -3.922 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.106 6.032 -2.589 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.389 8.475 -1.720 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.780 8.557 -2.782 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.555 6.286 -0.811 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.063 7.868 -0.253 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.380 6.467 -2.610 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.924 6.244 -0.959 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -13.687 8.967 -2.296 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.164 8.024 -2.279 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.323 9.492 -0.482 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.919 8.003 0.228 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.732 9.201 0.035 1.00 2.11 H new ATOM 406 N PRO A 25 -12.071 5.166 -3.935 1.00 0.56 N ATOM 407 CA PRO A 25 -13.067 4.585 -4.833 1.00 0.63 C ATOM 408 C PRO A 25 -14.107 5.612 -5.267 1.00 0.75 C ATOM 409 O PRO A 25 -14.276 6.648 -4.625 1.00 0.89 O ATOM 410 CB PRO A 25 -13.706 3.494 -3.978 1.00 0.63 C ATOM 411 CG PRO A 25 -12.614 3.058 -3.061 1.00 0.71 C ATOM 412 CD PRO A 25 -11.781 4.285 -2.785 1.00 0.58 C ATOM 0 HA PRO A 25 -12.630 4.214 -5.760 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.563 3.875 -3.423 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -14.065 2.667 -4.591 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.022 2.649 -2.137 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.011 2.273 -3.519 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.058 4.754 -1.841 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.720 4.044 -2.722 1.00 0.58 H new ATOM 420 N GLU A 26 -14.796 5.323 -6.363 1.00 0.85 N ATOM 421 CA GLU A 26 -15.812 6.231 -6.885 1.00 1.05 C ATOM 422 C GLU A 26 -17.223 5.701 -6.642 1.00 0.95 C ATOM 423 O GLU A 26 -18.196 6.447 -6.748 1.00 1.12 O ATOM 424 CB GLU A 26 -15.595 6.459 -8.382 1.00 1.29 C ATOM 425 CG GLU A 26 -14.425 7.379 -8.692 1.00 1.83 C ATOM 426 CD GLU A 26 -14.296 7.683 -10.171 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.324 8.008 -10.802 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.168 7.596 -10.698 1.00 2.53 O ATOM 0 H GLU A 26 -14.671 4.470 -6.908 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.713 7.177 -6.353 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.429 5.497 -8.868 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -16.503 6.881 -8.813 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -14.547 8.313 -8.143 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.503 6.919 -8.338 1.00 1.83 H new ATOM 435 N TYR A 27 -17.340 4.414 -6.320 1.00 0.85 N ATOM 436 CA TYR A 27 -18.647 3.818 -6.075 1.00 0.84 C ATOM 437 C TYR A 27 -18.697 3.088 -4.734 1.00 0.86 C ATOM 438 O TYR A 27 -19.361 3.539 -3.800 1.00 1.37 O ATOM 439 CB TYR A 27 -19.020 2.854 -7.204 1.00 0.86 C ATOM 440 CG TYR A 27 -20.515 2.684 -7.372 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.273 3.638 -8.040 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.165 1.565 -6.868 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.636 3.483 -8.199 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.529 1.401 -7.024 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.264 2.377 -7.673 1.00 1.19 C ATOM 446 OH TYR A 27 -24.618 2.203 -7.847 1.00 1.35 O ATOM 0 H TYR A 27 -16.553 3.772 -6.224 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.371 4.633 -6.043 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.595 3.218 -8.139 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.570 1.881 -7.006 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.788 4.515 -8.442 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.596 0.810 -6.346 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.207 4.227 -8.734 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -23.017 0.517 -6.642 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.899 1.370 -7.413 1.00 1.35 H new ATOM 456 N THR A 28 -18.003 1.956 -4.646 1.00 0.65 N ATOM 457 CA THR A 28 -17.988 1.166 -3.416 1.00 0.61 C ATOM 458 C THR A 28 -19.408 0.918 -2.928 1.00 0.66 C ATOM 459 O THR A 28 -19.749 1.229 -1.787 1.00 0.81 O ATOM 460 CB THR A 28 -17.178 1.872 -2.328 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.521 3.244 -2.252 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.682 1.785 -2.541 1.00 0.79 C ATOM 0 H THR A 28 -17.446 1.566 -5.407 1.00 0.65 H new ATOM 0 HA THR A 28 -17.516 0.208 -3.634 1.00 0.61 H new ATOM 0 HB THR A 28 -17.429 1.352 -1.404 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.493 3.343 -2.329 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.169 2.306 -1.733 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.376 0.739 -2.550 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.423 2.247 -3.494 1.00 0.79 H new ATOM 470 N GLY A 29 -20.237 0.356 -3.808 1.00 0.75 N ATOM 471 CA GLY A 29 -21.621 0.072 -3.464 1.00 0.80 C ATOM 472 C GLY A 29 -22.273 1.205 -2.685 1.00 0.85 C ATOM 473 O GLY A 29 -22.629 2.237 -3.255 1.00 1.01 O ATOM 0 H GLY A 29 -19.972 0.092 -4.757 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.189 -0.111 -4.377 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.665 -0.843 -2.873 1.00 0.80 H new ATOM 477 N GLY A 30 -22.415 1.011 -1.380 1.00 0.83 N ATOM 478 CA GLY A 30 -23.010 2.025 -0.528 1.00 0.89 C ATOM 479 C GLY A 30 -22.277 2.134 0.795 1.00 0.85 C ATOM 480 O GLY A 30 -22.840 2.566 1.800 1.00 0.98 O ATOM 0 H GLY A 30 -22.126 0.163 -0.892 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.990 2.988 -1.038 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.057 1.782 -0.347 1.00 0.89 H new ATOM 484 N PHE A 31 -21.014 1.721 0.784 1.00 0.73 N ATOM 485 CA PHE A 31 -20.173 1.741 1.972 1.00 0.69 C ATOM 486 C PHE A 31 -19.380 3.040 2.087 1.00 0.67 C ATOM 487 O PHE A 31 -19.530 3.950 1.272 1.00 0.74 O ATOM 488 CB PHE A 31 -19.203 0.565 1.931 1.00 0.63 C ATOM 489 CG PHE A 31 -19.719 -0.642 1.189 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.662 -1.480 1.771 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.261 -0.937 -0.085 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.136 -2.587 1.091 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.732 -2.043 -0.766 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.671 -2.866 -0.181 1.00 0.83 C ATOM 0 H PHE A 31 -20.546 1.363 -0.049 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.827 1.666 2.841 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.273 0.893 1.466 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.962 0.273 2.953 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.028 -1.265 2.764 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.528 -0.295 -0.551 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -21.868 -3.233 1.553 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.364 -2.263 -1.757 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.043 -3.728 -0.716 1.00 0.83 H new ATOM 504 N LYS A 32 -18.532 3.109 3.112 1.00 0.68 N ATOM 505 CA LYS A 32 -17.704 4.291 3.354 1.00 0.72 C ATOM 506 C LYS A 32 -16.231 3.930 3.583 1.00 0.66 C ATOM 507 O LYS A 32 -15.367 4.805 3.565 1.00 0.74 O ATOM 508 CB LYS A 32 -18.234 5.052 4.573 1.00 0.86 C ATOM 509 CG LYS A 32 -17.508 6.361 4.848 1.00 1.38 C ATOM 510 CD LYS A 32 -17.894 6.939 6.199 1.00 1.38 C ATOM 511 CE LYS A 32 -16.736 6.880 7.184 1.00 1.50 C ATOM 512 NZ LYS A 32 -17.090 7.493 8.493 1.00 2.26 N ATOM 0 H LYS A 32 -18.400 2.359 3.790 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.759 4.916 2.462 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -19.294 5.260 4.426 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -18.153 4.412 5.452 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.431 6.195 4.817 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.742 7.080 4.063 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -18.215 7.973 6.075 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -18.744 6.388 6.602 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -16.442 5.842 7.337 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.874 7.397 6.762 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -16.275 7.433 9.136 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -17.346 8.491 8.351 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -17.897 6.984 8.908 1.00 2.26 H new ATOM 526 N ILE A 33 -15.941 2.649 3.810 1.00 0.67 N ATOM 527 CA ILE A 33 -14.574 2.215 4.055 1.00 0.66 C ATOM 528 C ILE A 33 -14.060 2.840 5.348 1.00 0.80 C ATOM 529 O ILE A 33 -14.221 4.041 5.568 1.00 1.71 O ATOM 530 CB ILE A 33 -13.641 2.602 2.895 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.296 2.277 1.551 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.305 1.884 3.029 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.408 2.562 0.358 1.00 0.91 C ATOM 0 H ILE A 33 -16.633 1.900 3.828 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.579 1.128 4.140 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.460 3.676 2.937 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.579 1.224 1.539 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -15.215 2.855 1.455 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.655 2.167 2.201 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.835 2.163 3.972 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.468 0.806 3.010 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.939 2.308 -0.560 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -13.146 3.620 0.344 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.500 1.964 0.430 1.00 0.91 H new ATOM 545 N THR A 34 -13.461 2.028 6.212 1.00 0.72 N ATOM 546 CA THR A 34 -12.956 2.530 7.487 1.00 0.73 C ATOM 547 C THR A 34 -11.471 2.228 7.690 1.00 0.59 C ATOM 548 O THR A 34 -10.952 2.394 8.793 1.00 0.76 O ATOM 549 CB THR A 34 -13.768 1.936 8.642 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.252 0.672 9.020 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.236 1.754 8.315 1.00 1.15 C ATOM 0 H THR A 34 -13.314 1.031 6.057 1.00 0.72 H new ATOM 0 HA THR A 34 -13.067 3.614 7.471 1.00 0.73 H new ATOM 0 HB THR A 34 -13.682 2.658 9.454 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.783 0.310 9.760 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.751 1.330 9.177 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.676 2.720 8.069 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.338 1.081 7.464 1.00 1.15 H new ATOM 559 N SER A 35 -10.786 1.792 6.636 1.00 0.49 N ATOM 560 CA SER A 35 -9.359 1.485 6.745 1.00 0.47 C ATOM 561 C SER A 35 -8.781 0.967 5.433 1.00 0.45 C ATOM 562 O SER A 35 -9.454 0.269 4.676 1.00 0.72 O ATOM 563 CB SER A 35 -9.122 0.442 7.838 1.00 0.64 C ATOM 564 OG SER A 35 -7.888 0.667 8.498 1.00 1.58 O ATOM 0 H SER A 35 -11.186 1.644 5.710 1.00 0.49 H new ATOM 0 HA SER A 35 -8.853 2.417 6.998 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.937 0.477 8.561 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.127 -0.556 7.400 1.00 0.64 H new ATOM 0 HG SER A 35 -7.974 1.436 9.100 1.00 1.58 H new ATOM 570 N TYR A 36 -7.517 1.305 5.185 1.00 0.27 N ATOM 571 CA TYR A 36 -6.823 0.869 3.984 1.00 0.28 C ATOM 572 C TYR A 36 -5.619 0.014 4.360 1.00 0.33 C ATOM 573 O TYR A 36 -4.737 0.454 5.097 1.00 0.68 O ATOM 574 CB TYR A 36 -6.380 2.072 3.154 1.00 0.29 C ATOM 575 CG TYR A 36 -7.525 2.790 2.477 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.301 2.149 1.521 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.829 4.108 2.792 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.348 2.799 0.898 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.875 4.767 2.174 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.634 4.112 1.237 1.00 0.60 C ATOM 581 OH TYR A 36 -10.673 4.759 0.610 1.00 0.76 O ATOM 0 H TYR A 36 -6.953 1.884 5.807 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.508 0.271 3.383 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.852 2.774 3.799 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.671 1.740 2.396 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.082 1.124 1.260 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.238 4.627 3.532 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.939 2.288 0.152 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.094 5.794 2.428 1.00 0.67 H new ATOM 0 HH TYR A 36 -11.050 5.433 1.213 1.00 0.76 H new ATOM 591 N ILE A 37 -5.592 -1.214 3.858 1.00 0.24 N ATOM 592 CA ILE A 37 -4.501 -2.138 4.151 1.00 0.26 C ATOM 593 C ILE A 37 -3.611 -2.327 2.930 1.00 0.33 C ATOM 594 O ILE A 37 -4.103 -2.613 1.849 1.00 0.70 O ATOM 595 CB ILE A 37 -5.003 -3.542 4.595 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.472 -3.537 5.069 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.105 -4.088 5.694 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.232 -4.779 4.657 1.00 1.14 C ATOM 0 H ILE A 37 -6.313 -1.595 3.245 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.944 -1.687 4.973 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.958 -4.187 3.717 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.497 -3.446 6.155 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.975 -2.659 4.664 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.462 -5.071 6.001 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.084 -4.172 5.321 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -4.124 -3.412 6.549 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.258 -4.715 5.020 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.236 -4.859 3.570 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.750 -5.659 5.084 1.00 1.14 H new ATOM 610 N VAL A 38 -2.301 -2.181 3.099 1.00 0.36 N ATOM 611 CA VAL A 38 -1.384 -2.363 1.977 1.00 0.42 C ATOM 612 C VAL A 38 -0.409 -3.498 2.261 1.00 0.35 C ATOM 613 O VAL A 38 0.211 -3.555 3.323 1.00 0.48 O ATOM 614 CB VAL A 38 -0.656 -1.035 1.578 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.549 -0.094 2.764 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.713 -1.258 0.928 1.00 0.51 C ATOM 0 H VAL A 38 -1.855 -1.942 3.985 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.977 -2.646 1.107 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.279 -0.569 0.815 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.039 0.820 2.459 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.548 0.151 3.125 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.017 -0.576 3.561 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.158 -0.295 0.678 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.363 -1.789 1.623 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.593 -1.848 0.020 1.00 0.51 H new ATOM 626 N GLU A 39 -0.293 -4.408 1.295 1.00 0.30 N ATOM 627 CA GLU A 39 0.591 -5.553 1.432 1.00 0.33 C ATOM 628 C GLU A 39 1.945 -5.264 0.803 1.00 0.32 C ATOM 629 O GLU A 39 2.030 -4.696 -0.287 1.00 0.43 O ATOM 630 CB GLU A 39 -0.048 -6.790 0.797 1.00 0.42 C ATOM 631 CG GLU A 39 -1.560 -6.843 0.949 1.00 0.51 C ATOM 632 CD GLU A 39 -2.051 -8.177 1.475 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.288 -9.163 1.401 1.00 1.52 O ATOM 634 OE2 GLU A 39 -3.201 -8.236 1.961 1.00 1.67 O ATOM 0 H GLU A 39 -0.802 -4.370 0.412 1.00 0.30 H new ATOM 0 HA GLU A 39 0.747 -5.748 2.493 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.203 -6.814 -0.264 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.385 -7.683 1.247 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.881 -6.051 1.625 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.025 -6.645 -0.017 1.00 0.51 H new ATOM 641 N LYS A 40 3.004 -5.653 1.501 1.00 0.28 N ATOM 642 CA LYS A 40 4.360 -5.431 1.017 1.00 0.31 C ATOM 643 C LYS A 40 4.931 -6.693 0.389 1.00 0.29 C ATOM 644 O LYS A 40 4.460 -7.797 0.651 1.00 0.35 O ATOM 645 CB LYS A 40 5.266 -4.958 2.155 1.00 0.43 C ATOM 646 CG LYS A 40 4.965 -5.610 3.494 1.00 0.92 C ATOM 647 CD LYS A 40 6.224 -5.753 4.331 1.00 1.14 C ATOM 648 CE LYS A 40 6.274 -7.096 5.039 1.00 1.65 C ATOM 649 NZ LYS A 40 6.283 -6.941 6.518 1.00 1.97 N ATOM 0 H LYS A 40 2.950 -6.124 2.404 1.00 0.28 H new ATOM 0 HA LYS A 40 4.317 -4.655 0.252 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.303 -5.161 1.888 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.169 -3.877 2.258 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.231 -5.013 4.035 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.520 -6.592 3.332 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.101 -5.645 3.692 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.265 -4.951 5.068 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.414 -7.696 4.742 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.165 -7.639 4.725 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.317 -7.879 6.965 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.117 -6.390 6.804 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.420 -6.445 6.820 1.00 1.97 H new ATOM 663 N ARG A 41 5.948 -6.519 -0.444 1.00 0.36 N ATOM 664 CA ARG A 41 6.585 -7.642 -1.118 1.00 0.40 C ATOM 665 C ARG A 41 8.093 -7.444 -1.177 1.00 0.41 C ATOM 666 O ARG A 41 8.593 -6.634 -1.959 1.00 0.43 O ATOM 667 CB ARG A 41 6.011 -7.781 -2.525 1.00 0.46 C ATOM 668 CG ARG A 41 6.183 -9.163 -3.147 1.00 0.58 C ATOM 669 CD ARG A 41 4.831 -9.801 -3.440 1.00 0.88 C ATOM 670 NE ARG A 41 4.652 -10.178 -4.844 1.00 0.95 N ATOM 671 CZ ARG A 41 4.771 -9.345 -5.882 1.00 1.13 C ATOM 672 NH1 ARG A 41 5.096 -8.081 -5.667 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.580 -9.761 -7.127 1.00 1.44 N ATOM 0 H ARG A 41 6.350 -5.609 -0.669 1.00 0.36 H new ATOM 0 HA ARG A 41 6.385 -8.555 -0.557 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.948 -7.540 -2.495 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.487 -7.044 -3.172 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.758 -9.082 -4.069 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.752 -9.802 -2.471 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.714 -10.688 -2.817 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.041 -9.106 -3.156 1.00 0.88 H new ATOM 0 HE ARG A 41 4.419 -11.150 -5.045 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.253 -7.750 -4.715 1.00 1.44 H new ATOM 0 HH12 ARG A 41 5.189 -7.438 -6.453 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.337 -10.735 -7.308 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.676 -9.107 -7.904 1.00 1.44 H new ATOM 687 N ASP A 42 8.812 -8.185 -0.342 1.00 0.50 N ATOM 688 CA ASP A 42 10.265 -8.090 -0.294 1.00 0.57 C ATOM 689 C ASP A 42 10.895 -8.782 -1.491 1.00 0.62 C ATOM 690 O ASP A 42 11.360 -9.919 -1.396 1.00 0.91 O ATOM 691 CB ASP A 42 10.793 -8.699 1.000 1.00 0.71 C ATOM 692 CG ASP A 42 9.735 -9.492 1.741 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.749 -9.911 1.100 1.00 1.59 O ATOM 694 OD2 ASP A 42 9.893 -9.692 2.963 1.00 1.49 O ATOM 0 H ASP A 42 8.412 -8.858 0.311 1.00 0.50 H new ATOM 0 HA ASP A 42 10.536 -7.035 -0.326 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.638 -9.349 0.774 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.166 -7.904 1.646 1.00 0.71 H new ATOM 699 N LEU A 43 10.906 -8.085 -2.615 1.00 0.63 N ATOM 700 CA LEU A 43 11.481 -8.622 -3.843 1.00 0.68 C ATOM 701 C LEU A 43 12.991 -8.819 -3.694 1.00 0.81 C ATOM 702 O LEU A 43 13.628 -8.163 -2.869 1.00 0.90 O ATOM 703 CB LEU A 43 11.193 -7.689 -5.026 1.00 0.62 C ATOM 704 CG LEU A 43 9.712 -7.505 -5.399 1.00 0.64 C ATOM 705 CD1 LEU A 43 8.906 -8.771 -5.130 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.117 -6.321 -4.650 1.00 0.80 C ATOM 0 H LEU A 43 10.523 -7.144 -2.705 1.00 0.63 H new ATOM 0 HA LEU A 43 11.019 -9.590 -4.035 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.614 -6.709 -4.800 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.722 -8.070 -5.900 1.00 0.62 H new ATOM 0 HG LEU A 43 9.661 -7.303 -6.469 1.00 0.64 H new ATOM 0 HD11 LEU A 43 7.864 -8.605 -5.405 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.311 -9.592 -5.721 1.00 0.70 H new ATOM 0 HD13 LEU A 43 8.966 -9.022 -4.071 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.069 -6.205 -4.926 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.193 -6.494 -3.577 1.00 0.80 H new ATOM 0 HD23 LEU A 43 9.663 -5.414 -4.910 1.00 0.80 H new ATOM 718 N PRO A 44 13.588 -9.730 -4.490 1.00 0.92 N ATOM 719 CA PRO A 44 12.885 -10.532 -5.482 1.00 0.99 C ATOM 720 C PRO A 44 12.410 -11.872 -4.925 1.00 1.15 C ATOM 721 O PRO A 44 12.427 -12.885 -5.624 1.00 1.43 O ATOM 722 CB PRO A 44 13.949 -10.751 -6.563 1.00 1.15 C ATOM 723 CG PRO A 44 15.278 -10.491 -5.907 1.00 1.25 C ATOM 724 CD PRO A 44 15.017 -10.048 -4.487 1.00 1.08 C ATOM 0 HA PRO A 44 11.980 -10.041 -5.838 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.901 -11.767 -6.955 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.792 -10.077 -7.405 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.892 -11.392 -5.919 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.828 -9.723 -6.451 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.252 -10.835 -3.771 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.621 -9.181 -4.219 1.00 1.08 H new ATOM 732 N ASN A 45 11.986 -11.872 -3.666 1.00 1.14 N ATOM 733 CA ASN A 45 11.506 -13.091 -3.023 1.00 1.33 C ATOM 734 C ASN A 45 10.687 -12.769 -1.777 1.00 1.43 C ATOM 735 O ASN A 45 10.997 -13.231 -0.680 1.00 2.42 O ATOM 736 CB ASN A 45 12.682 -13.999 -2.657 1.00 1.66 C ATOM 737 CG ASN A 45 13.755 -13.269 -1.878 1.00 1.93 C ATOM 738 OD1 ASN A 45 14.896 -13.035 -2.516 1.00 2.66 O flip ATOM 739 ND2 ASN A 45 13.562 -12.915 -0.715 1.00 1.89 N flip ATOM 0 H ASN A 45 11.965 -11.044 -3.071 1.00 1.14 H new ATOM 0 HA ASN A 45 10.861 -13.612 -3.731 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.318 -14.840 -2.067 1.00 1.66 H new ATOM 0 HB3 ASN A 45 13.116 -14.412 -3.568 1.00 1.66 H new ATOM 0 HD21 ASN A 45 12.670 -13.115 -0.262 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.294 -12.422 -0.204 1.00 1.89 H new ATOM 746 N GLY A 46 9.636 -11.977 -1.958 1.00 0.90 N ATOM 747 CA GLY A 46 8.780 -11.607 -0.847 1.00 1.12 C ATOM 748 C GLY A 46 7.322 -11.899 -1.128 1.00 0.76 C ATOM 749 O GLY A 46 6.964 -12.271 -2.246 1.00 0.96 O ATOM 0 H GLY A 46 9.361 -11.583 -2.858 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.092 -12.149 0.046 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.902 -10.545 -0.634 1.00 1.12 H new ATOM 753 N ARG A 47 6.474 -11.734 -0.119 1.00 0.80 N ATOM 754 CA ARG A 47 5.047 -11.988 -0.281 1.00 0.76 C ATOM 755 C ARG A 47 4.215 -10.855 0.294 1.00 0.85 C ATOM 756 O ARG A 47 4.646 -10.144 1.202 1.00 1.71 O ATOM 757 CB ARG A 47 4.636 -13.313 0.374 1.00 0.99 C ATOM 758 CG ARG A 47 5.595 -13.804 1.443 1.00 1.31 C ATOM 759 CD ARG A 47 5.620 -12.876 2.647 1.00 1.11 C ATOM 760 NE ARG A 47 6.925 -12.873 3.304 1.00 1.41 N ATOM 761 CZ ARG A 47 7.322 -13.812 4.157 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.520 -14.825 4.452 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.524 -13.739 4.713 1.00 2.03 N ATOM 0 H ARG A 47 6.747 -11.427 0.815 1.00 0.80 H new ATOM 0 HA ARG A 47 4.857 -12.054 -1.352 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.647 -13.195 0.816 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.550 -14.076 -0.399 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.303 -14.805 1.761 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.598 -13.883 1.023 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.370 -11.863 2.330 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.855 -13.185 3.360 1.00 1.11 H new ATOM 0 HE ARG A 47 7.567 -12.108 3.097 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.596 -14.885 4.024 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.827 -15.544 5.107 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.145 -12.962 4.486 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.828 -14.460 5.367 1.00 2.03 H new ATOM 777 N TRP A 48 3.016 -10.698 -0.249 1.00 0.50 N ATOM 778 CA TRP A 48 2.102 -9.665 0.186 1.00 0.43 C ATOM 779 C TRP A 48 1.746 -9.851 1.654 1.00 0.45 C ATOM 780 O TRP A 48 1.273 -10.914 2.053 1.00 0.65 O ATOM 781 CB TRP A 48 0.841 -9.682 -0.667 1.00 0.47 C ATOM 782 CG TRP A 48 1.120 -9.509 -2.125 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.777 -10.368 -3.123 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.805 -8.414 -2.752 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.204 -9.879 -4.329 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.836 -8.683 -4.130 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.397 -7.232 -2.287 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.427 -7.818 -5.045 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.986 -6.377 -3.197 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.997 -6.673 -4.559 1.00 0.38 C ATOM 0 H TRP A 48 2.655 -11.284 -1.001 1.00 0.50 H new ATOM 0 HA TRP A 48 2.592 -8.699 0.068 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.317 -10.625 -0.512 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.173 -8.888 -0.334 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.246 -11.298 -2.985 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.072 -10.335 -5.232 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.393 -6.994 -1.234 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.436 -8.042 -6.101 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.446 -5.464 -2.848 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.466 -5.984 -5.246 1.00 0.38 H new ATOM 801 N LEU A 49 1.979 -8.821 2.454 1.00 0.38 N ATOM 802 CA LEU A 49 1.686 -8.890 3.879 1.00 0.42 C ATOM 803 C LEU A 49 1.441 -7.502 4.462 1.00 0.36 C ATOM 804 O LEU A 49 2.285 -6.613 4.351 1.00 0.39 O ATOM 805 CB LEU A 49 2.846 -9.568 4.609 1.00 0.52 C ATOM 806 CG LEU A 49 2.485 -10.853 5.356 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.313 -10.615 6.297 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.167 -11.967 4.372 1.00 0.84 C ATOM 0 H LEU A 49 2.368 -7.931 2.143 1.00 0.38 H new ATOM 0 HA LEU A 49 0.776 -9.475 4.014 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.627 -9.796 3.884 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.269 -8.860 5.321 1.00 0.52 H new ATOM 0 HG LEU A 49 3.344 -11.158 5.954 1.00 0.67 H new ATOM 0 HD11 LEU A 49 1.072 -11.541 6.819 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.580 -9.848 7.024 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.447 -10.286 5.723 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.912 -12.874 4.920 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.324 -11.671 3.748 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.037 -12.155 3.742 1.00 0.84 H new ATOM 820 N LYS A 50 0.280 -7.325 5.086 1.00 0.40 N ATOM 821 CA LYS A 50 -0.076 -6.048 5.690 1.00 0.40 C ATOM 822 C LYS A 50 1.044 -5.556 6.600 1.00 0.47 C ATOM 823 O LYS A 50 1.358 -6.186 7.608 1.00 0.85 O ATOM 824 CB LYS A 50 -1.376 -6.182 6.485 1.00 0.59 C ATOM 825 CG LYS A 50 -1.338 -7.287 7.531 1.00 0.72 C ATOM 826 CD LYS A 50 -2.719 -7.559 8.105 1.00 1.03 C ATOM 827 CE LYS A 50 -3.261 -6.350 8.849 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.102 -6.747 10.013 1.00 1.30 N ATOM 0 H LYS A 50 -0.430 -8.051 5.186 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.223 -5.319 4.893 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.590 -5.234 6.978 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.197 -6.375 5.794 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.943 -8.199 7.084 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.658 -7.005 8.335 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.402 -7.828 7.300 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.671 -8.412 8.781 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.431 -5.734 9.194 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.851 -5.738 8.167 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.453 -5.895 10.494 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.908 -7.314 9.681 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.533 -7.310 10.677 1.00 1.30 H new ATOM 842 N ALA A 51 1.645 -4.429 6.236 1.00 0.45 N ATOM 843 CA ALA A 51 2.733 -3.862 7.020 1.00 0.63 C ATOM 844 C ALA A 51 2.244 -2.736 7.924 1.00 0.55 C ATOM 845 O ALA A 51 2.744 -2.563 9.036 1.00 0.72 O ATOM 846 CB ALA A 51 3.835 -3.354 6.103 1.00 0.86 C ATOM 0 H ALA A 51 1.397 -3.892 5.405 1.00 0.45 H new ATOM 0 HA ALA A 51 3.131 -4.653 7.655 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.642 -2.933 6.703 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.220 -4.180 5.505 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.434 -2.585 5.443 1.00 0.86 H new ATOM 852 N ASN A 52 1.274 -1.968 7.442 1.00 0.42 N ATOM 853 CA ASN A 52 0.739 -0.853 8.216 1.00 0.43 C ATOM 854 C ASN A 52 0.285 -1.292 9.605 1.00 0.59 C ATOM 855 O ASN A 52 0.819 -0.826 10.611 1.00 1.60 O ATOM 856 CB ASN A 52 -0.415 -0.164 7.474 1.00 0.38 C ATOM 857 CG ASN A 52 -1.434 -1.134 6.908 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.108 -1.983 6.079 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.679 -1.008 7.357 1.00 0.62 N ATOM 0 H ASN A 52 0.844 -2.095 6.526 1.00 0.42 H new ATOM 0 HA ASN A 52 1.551 -0.136 8.339 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.917 0.522 8.156 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.007 0.437 6.662 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.410 -1.630 7.014 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.903 -0.289 8.045 1.00 0.62 H new ATOM 866 N PHE A 53 -0.706 -2.180 9.665 1.00 0.81 N ATOM 867 CA PHE A 53 -1.232 -2.669 10.940 1.00 0.82 C ATOM 868 C PHE A 53 -2.207 -1.666 11.559 1.00 0.84 C ATOM 869 O PHE A 53 -3.324 -2.027 11.931 1.00 1.20 O ATOM 870 CB PHE A 53 -0.101 -2.966 11.929 1.00 0.96 C ATOM 871 CG PHE A 53 -0.506 -3.920 13.016 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.226 -5.066 12.722 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.160 -3.668 14.333 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.595 -5.944 13.724 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.525 -4.540 15.338 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.264 -5.689 15.019 1.00 1.96 C ATOM 0 H PHE A 53 -1.162 -2.577 8.844 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.768 -3.595 10.732 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.748 -3.381 11.387 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.235 -2.032 12.380 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.502 -5.276 11.699 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.402 -2.778 14.576 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.149 -6.838 13.478 1.00 1.66 H new ATOM 0 HE2 PHE A 53 -0.244 -4.340 16.361 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.570 -6.370 15.800 1.00 1.96 H new ATOM 886 N SER A 54 -1.782 -0.408 11.672 1.00 0.79 N ATOM 887 CA SER A 54 -2.623 0.632 12.251 1.00 0.89 C ATOM 888 C SER A 54 -3.864 0.868 11.398 1.00 0.95 C ATOM 889 O SER A 54 -4.138 0.119 10.460 1.00 1.89 O ATOM 890 CB SER A 54 -1.834 1.936 12.398 1.00 1.00 C ATOM 891 OG SER A 54 -1.910 2.718 11.219 1.00 1.71 O ATOM 0 H SER A 54 -0.862 -0.088 11.370 1.00 0.79 H new ATOM 0 HA SER A 54 -2.942 0.296 13.238 1.00 0.89 H new ATOM 0 HB2 SER A 54 -2.223 2.506 13.241 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.791 1.710 12.621 1.00 1.00 H new ATOM 0 HG SER A 54 -1.399 3.545 11.342 1.00 1.71 H new ATOM 897 N ASN A 55 -4.613 1.915 11.730 1.00 0.75 N ATOM 898 CA ASN A 55 -5.826 2.250 10.994 1.00 0.69 C ATOM 899 C ASN A 55 -5.548 3.333 9.954 1.00 0.66 C ATOM 900 O ASN A 55 -5.368 4.503 10.292 1.00 1.05 O ATOM 901 CB ASN A 55 -6.920 2.714 11.958 1.00 0.84 C ATOM 902 CG ASN A 55 -8.306 2.302 11.503 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.693 2.745 10.313 1.00 1.87 O flip ATOM 904 ND2 ASN A 55 -9.023 1.595 12.213 1.00 0.83 N flip ATOM 0 H ASN A 55 -4.401 2.545 12.503 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.168 1.355 10.475 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.728 2.300 12.948 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.880 3.799 12.053 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.686 1.276 13.121 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -9.954 1.328 11.892 1.00 0.83 H new ATOM 911 N ILE A 56 -5.513 2.929 8.687 1.00 0.40 N ATOM 912 CA ILE A 56 -5.253 3.857 7.591 1.00 0.33 C ATOM 913 C ILE A 56 -6.554 4.415 7.017 1.00 0.31 C ATOM 914 O ILE A 56 -6.982 4.025 5.931 1.00 0.53 O ATOM 915 CB ILE A 56 -4.456 3.169 6.465 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.191 2.523 7.032 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.105 4.165 5.371 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.289 1.925 5.975 1.00 0.69 C ATOM 0 H ILE A 56 -5.662 1.963 8.394 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.665 4.679 7.998 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.078 2.389 6.026 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.632 3.271 7.594 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.477 1.743 7.737 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.543 3.660 4.586 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.020 4.582 4.951 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.500 4.968 5.791 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.413 1.485 6.451 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.831 1.153 5.429 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.973 2.705 5.283 1.00 0.69 H new ATOM 930 N LEU A 57 -7.177 5.331 7.756 1.00 0.44 N ATOM 931 CA LEU A 57 -8.429 5.945 7.325 1.00 0.45 C ATOM 932 C LEU A 57 -8.281 6.579 5.945 1.00 0.42 C ATOM 933 O LEU A 57 -8.784 6.051 4.953 1.00 0.60 O ATOM 934 CB LEU A 57 -8.880 6.999 8.340 1.00 0.48 C ATOM 935 CG LEU A 57 -10.286 6.791 8.908 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.283 6.541 7.788 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.295 5.638 9.901 1.00 1.60 C ATOM 0 H LEU A 57 -6.834 5.664 8.657 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.185 5.162 7.263 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.169 7.013 9.166 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.837 7.980 7.866 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.582 7.699 9.434 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.277 6.395 8.211 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -11.297 7.399 7.115 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.991 5.649 7.233 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.303 5.505 10.295 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.977 4.724 9.400 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.611 5.859 10.721 1.00 1.60 H new ATOM 949 N GLU A 58 -7.588 7.711 5.887 1.00 0.39 N ATOM 950 CA GLU A 58 -7.373 8.406 4.630 1.00 0.43 C ATOM 951 C GLU A 58 -6.596 7.522 3.668 1.00 0.51 C ATOM 952 O GLU A 58 -6.149 6.436 4.033 1.00 1.09 O ATOM 953 CB GLU A 58 -6.614 9.711 4.866 1.00 0.44 C ATOM 954 CG GLU A 58 -5.239 9.511 5.482 1.00 0.44 C ATOM 955 CD GLU A 58 -5.076 10.252 6.794 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.942 11.493 6.761 1.00 1.29 O ATOM 957 OE2 GLU A 58 -5.084 9.592 7.854 1.00 1.54 O ATOM 0 H GLU A 58 -7.167 8.164 6.698 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.344 8.639 4.193 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.505 10.235 3.917 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.206 10.353 5.519 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.070 8.447 5.646 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.477 9.850 4.780 1.00 0.44 H new ATOM 964 N ASN A 59 -6.437 7.990 2.442 1.00 0.31 N ATOM 965 CA ASN A 59 -5.709 7.230 1.435 1.00 0.28 C ATOM 966 C ASN A 59 -4.233 7.621 1.399 1.00 0.28 C ATOM 967 O ASN A 59 -3.532 7.331 0.431 1.00 0.49 O ATOM 968 CB ASN A 59 -6.335 7.430 0.058 1.00 0.32 C ATOM 969 CG ASN A 59 -6.327 8.884 -0.374 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.520 9.681 0.106 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.229 9.235 -1.283 1.00 0.91 N ATOM 0 H ASN A 59 -6.799 8.887 2.119 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.774 6.177 1.707 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.793 6.833 -0.675 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.361 7.063 0.071 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.273 10.200 -1.612 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.878 8.540 -1.653 1.00 0.91 H new ATOM 978 N GLU A 60 -3.764 8.274 2.460 1.00 0.29 N ATOM 979 CA GLU A 60 -2.370 8.693 2.546 1.00 0.29 C ATOM 980 C GLU A 60 -1.697 8.025 3.736 1.00 0.27 C ATOM 981 O GLU A 60 -1.907 8.423 4.881 1.00 0.35 O ATOM 982 CB GLU A 60 -2.272 10.215 2.677 1.00 0.34 C ATOM 983 CG GLU A 60 -0.849 10.723 2.862 1.00 0.49 C ATOM 984 CD GLU A 60 -0.546 11.934 2.003 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.467 11.780 0.766 1.00 1.91 O ATOM 986 OE2 GLU A 60 -0.388 13.037 2.567 1.00 2.05 O ATOM 0 H GLU A 60 -4.330 8.524 3.271 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.861 8.390 1.631 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.700 10.676 1.787 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.877 10.538 3.525 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.691 10.977 3.910 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.148 9.925 2.619 1.00 0.49 H new ATOM 993 N PHE A 61 -0.897 7.000 3.463 1.00 0.24 N ATOM 994 CA PHE A 61 -0.212 6.279 4.526 1.00 0.24 C ATOM 995 C PHE A 61 1.254 6.032 4.181 1.00 0.24 C ATOM 996 O PHE A 61 1.664 6.152 3.026 1.00 0.25 O ATOM 997 CB PHE A 61 -0.921 4.948 4.799 1.00 0.28 C ATOM 998 CG PHE A 61 -0.168 4.048 5.734 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.335 4.153 7.106 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.716 3.105 5.240 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.367 3.330 7.965 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.418 2.281 6.092 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.244 2.393 7.458 1.00 0.48 C ATOM 0 H PHE A 61 -0.709 6.653 2.523 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.244 6.896 5.424 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.907 5.150 5.218 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.077 4.428 3.854 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.020 4.885 7.507 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.857 3.014 4.173 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.230 3.420 9.032 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.104 1.548 5.693 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.793 1.748 8.128 1.00 0.48 H new ATOM 1013 N THR A 62 2.035 5.682 5.200 1.00 0.25 N ATOM 1014 CA THR A 62 3.453 5.409 5.024 1.00 0.27 C ATOM 1015 C THR A 62 3.802 4.005 5.485 1.00 0.29 C ATOM 1016 O THR A 62 3.620 3.662 6.653 1.00 0.35 O ATOM 1017 CB THR A 62 4.301 6.417 5.796 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.872 7.743 5.538 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.778 6.335 5.466 1.00 0.37 C ATOM 0 H THR A 62 1.705 5.581 6.160 1.00 0.25 H new ATOM 0 HA THR A 62 3.670 5.497 3.959 1.00 0.27 H new ATOM 0 HB THR A 62 4.166 6.160 6.847 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.460 8.153 4.870 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.323 7.078 6.049 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.150 5.340 5.708 1.00 0.37 H new ATOM 0 HG23 THR A 62 5.925 6.529 4.403 1.00 0.37 H new ATOM 1027 N VAL A 63 4.312 3.199 4.566 1.00 0.31 N ATOM 1028 CA VAL A 63 4.688 1.835 4.890 1.00 0.36 C ATOM 1029 C VAL A 63 6.109 1.774 5.421 1.00 0.38 C ATOM 1030 O VAL A 63 7.073 1.750 4.656 1.00 0.50 O ATOM 1031 CB VAL A 63 4.559 0.904 3.674 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.781 -0.542 4.087 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.199 1.075 3.019 1.00 0.58 C ATOM 0 H VAL A 63 4.474 3.466 3.595 1.00 0.31 H new ATOM 0 HA VAL A 63 3.999 1.494 5.662 1.00 0.36 H new ATOM 0 HB VAL A 63 5.325 1.172 2.947 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.686 -1.188 3.214 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.779 -0.650 4.512 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.037 -0.826 4.831 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.123 0.409 2.159 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.416 0.831 3.737 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.081 2.107 2.690 1.00 0.58 H new ATOM 1043 N SER A 64 6.228 1.752 6.739 1.00 0.49 N ATOM 1044 CA SER A 64 7.529 1.695 7.383 1.00 0.55 C ATOM 1045 C SER A 64 7.916 0.260 7.700 1.00 0.63 C ATOM 1046 O SER A 64 7.059 -0.595 7.927 1.00 0.99 O ATOM 1047 CB SER A 64 7.530 2.528 8.661 1.00 0.63 C ATOM 1048 OG SER A 64 6.545 3.546 8.609 1.00 1.33 O ATOM 0 H SER A 64 5.438 1.773 7.384 1.00 0.49 H new ATOM 0 HA SER A 64 8.264 2.107 6.691 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.345 1.882 9.519 1.00 0.63 H new ATOM 0 HB3 SER A 64 8.513 2.976 8.806 1.00 0.63 H new ATOM 0 HG SER A 64 6.566 4.064 9.441 1.00 1.33 H new ATOM 1054 N GLY A 65 9.215 0.004 7.709 1.00 0.71 N ATOM 1055 CA GLY A 65 9.709 -1.327 7.993 1.00 0.78 C ATOM 1056 C GLY A 65 10.532 -1.893 6.850 1.00 0.72 C ATOM 1057 O GLY A 65 10.909 -3.065 6.874 1.00 0.90 O ATOM 0 H GLY A 65 9.939 0.698 7.524 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.317 -1.301 8.897 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.867 -1.989 8.194 1.00 0.78 H new ATOM 1061 N LEU A 66 10.812 -1.064 5.846 1.00 0.64 N ATOM 1062 CA LEU A 66 11.594 -1.497 4.699 1.00 0.65 C ATOM 1063 C LEU A 66 12.899 -2.148 5.144 1.00 0.59 C ATOM 1064 O LEU A 66 13.180 -2.254 6.337 1.00 0.65 O ATOM 1065 CB LEU A 66 11.899 -0.304 3.794 1.00 0.74 C ATOM 1066 CG LEU A 66 10.770 0.118 2.851 1.00 0.89 C ATOM 1067 CD1 LEU A 66 10.443 -0.997 1.871 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.532 0.533 3.627 1.00 0.89 C ATOM 0 H LEU A 66 10.508 -0.091 5.807 1.00 0.64 H new ATOM 0 HA LEU A 66 11.009 -2.233 4.147 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.161 0.548 4.422 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.779 -0.541 3.195 1.00 0.74 H new ATOM 0 HG LEU A 66 11.114 0.983 2.284 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.638 -0.676 1.210 1.00 1.47 H new ATOM 0 HD12 LEU A 66 11.327 -1.232 1.278 1.00 1.47 H new ATOM 0 HD13 LEU A 66 10.129 -1.884 2.421 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.747 0.827 2.930 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.184 -0.304 4.232 1.00 0.89 H new ATOM 0 HD23 LEU A 66 9.775 1.374 4.276 1.00 0.89 H new ATOM 1080 N THR A 67 13.693 -2.576 4.170 1.00 0.65 N ATOM 1081 CA THR A 67 14.975 -3.211 4.444 1.00 0.69 C ATOM 1082 C THR A 67 16.003 -2.788 3.401 1.00 0.72 C ATOM 1083 O THR A 67 15.903 -3.160 2.231 1.00 1.06 O ATOM 1084 CB THR A 67 14.834 -4.733 4.457 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.688 -5.125 5.191 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.029 -5.436 5.063 1.00 0.99 C ATOM 0 H THR A 67 13.469 -2.494 3.178 1.00 0.65 H new ATOM 0 HA THR A 67 15.315 -2.889 5.429 1.00 0.69 H new ATOM 0 HB THR A 67 14.750 -5.025 3.410 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.091 -5.644 4.613 1.00 0.96 H new ATOM 0 HG21 THR A 67 15.866 -6.514 5.042 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.923 -5.193 4.489 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.159 -5.109 6.094 1.00 0.99 H new ATOM 1094 N GLU A 68 16.986 -2.003 3.829 1.00 0.66 N ATOM 1095 CA GLU A 68 18.034 -1.517 2.934 1.00 0.67 C ATOM 1096 C GLU A 68 18.520 -2.609 1.980 1.00 0.60 C ATOM 1097 O GLU A 68 18.699 -3.760 2.377 1.00 0.69 O ATOM 1098 CB GLU A 68 19.211 -0.974 3.747 1.00 0.76 C ATOM 1099 CG GLU A 68 19.679 0.400 3.297 1.00 0.96 C ATOM 1100 CD GLU A 68 21.115 0.400 2.806 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.971 -0.219 3.474 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.384 1.020 1.755 1.00 1.91 O ATOM 0 H GLU A 68 17.080 -1.688 4.794 1.00 0.66 H new ATOM 0 HA GLU A 68 17.606 -0.716 2.332 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.924 -0.925 4.797 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.044 -1.673 3.676 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.027 0.758 2.500 1.00 0.96 H new ATOM 0 HG3 GLU A 68 19.583 1.101 4.126 1.00 0.96 H new ATOM 1109 N ASP A 69 18.731 -2.230 0.722 1.00 0.52 N ATOM 1110 CA ASP A 69 19.200 -3.161 -0.302 1.00 0.49 C ATOM 1111 C ASP A 69 18.163 -4.241 -0.596 1.00 0.44 C ATOM 1112 O ASP A 69 18.454 -5.432 -0.497 1.00 0.54 O ATOM 1113 CB ASP A 69 20.515 -3.812 0.132 1.00 0.59 C ATOM 1114 CG ASP A 69 21.728 -3.008 -0.293 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.929 -2.835 -1.513 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.478 -2.552 0.596 1.00 1.87 O ATOM 0 H ASP A 69 18.584 -1.278 0.385 1.00 0.52 H new ATOM 0 HA ASP A 69 19.363 -2.589 -1.215 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.520 -3.926 1.216 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.579 -4.813 -0.294 1.00 0.59 H new ATOM 1121 N ALA A 70 16.953 -3.825 -0.963 1.00 0.40 N ATOM 1122 CA ALA A 70 15.888 -4.775 -1.271 1.00 0.40 C ATOM 1123 C ALA A 70 14.669 -4.080 -1.864 1.00 0.35 C ATOM 1124 O ALA A 70 14.102 -3.173 -1.256 1.00 0.36 O ATOM 1125 CB ALA A 70 15.490 -5.543 -0.024 1.00 0.49 C ATOM 0 H ALA A 70 16.687 -2.844 -1.054 1.00 0.40 H new ATOM 0 HA ALA A 70 16.274 -5.471 -2.016 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.695 -6.248 -0.269 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.353 -6.088 0.359 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.136 -4.846 0.735 1.00 0.49 H new ATOM 1131 N ALA A 71 14.262 -4.518 -3.051 1.00 0.33 N ATOM 1132 CA ALA A 71 13.102 -3.938 -3.714 1.00 0.30 C ATOM 1133 C ALA A 71 11.824 -4.298 -2.967 1.00 0.27 C ATOM 1134 O ALA A 71 11.630 -5.448 -2.573 1.00 0.36 O ATOM 1135 CB ALA A 71 13.027 -4.404 -5.160 1.00 0.34 C ATOM 0 H ALA A 71 14.716 -5.269 -3.571 1.00 0.33 H new ATOM 0 HA ALA A 71 13.208 -2.853 -3.708 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.154 -3.961 -5.640 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.928 -4.095 -5.689 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.944 -5.490 -5.188 1.00 0.34 H new ATOM 1141 N TYR A 72 10.961 -3.310 -2.761 1.00 0.24 N ATOM 1142 CA TYR A 72 9.715 -3.539 -2.044 1.00 0.24 C ATOM 1143 C TYR A 72 8.505 -2.979 -2.790 1.00 0.21 C ATOM 1144 O TYR A 72 8.407 -1.774 -3.021 1.00 0.23 O ATOM 1145 CB TYR A 72 9.794 -2.904 -0.659 1.00 0.30 C ATOM 1146 CG TYR A 72 10.587 -3.710 0.343 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.995 -4.761 1.029 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.922 -3.418 0.609 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.707 -5.502 1.950 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.640 -4.156 1.531 1.00 0.42 C ATOM 1151 CZ TYR A 72 12.027 -5.197 2.198 1.00 0.46 C ATOM 1152 OH TYR A 72 12.737 -5.934 3.118 1.00 0.56 O ATOM 0 H TYR A 72 11.100 -2.351 -3.078 1.00 0.24 H new ATOM 0 HA TYR A 72 9.582 -4.618 -1.960 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.242 -1.914 -0.749 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.783 -2.763 -0.277 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.960 -5.003 0.839 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.403 -2.604 0.088 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.231 -6.318 2.474 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.675 -3.919 1.728 1.00 0.42 H new ATOM 0 HH TYR A 72 13.406 -6.480 2.654 1.00 0.56 H new ATOM 1162 N GLU A 73 7.578 -3.865 -3.148 1.00 0.21 N ATOM 1163 CA GLU A 73 6.357 -3.471 -3.850 1.00 0.21 C ATOM 1164 C GLU A 73 5.205 -3.392 -2.853 1.00 0.23 C ATOM 1165 O GLU A 73 5.141 -4.198 -1.922 1.00 0.32 O ATOM 1166 CB GLU A 73 6.025 -4.481 -4.954 1.00 0.25 C ATOM 1167 CG GLU A 73 6.091 -3.900 -6.358 1.00 0.65 C ATOM 1168 CD GLU A 73 6.513 -4.925 -7.394 1.00 0.68 C ATOM 1169 OE1 GLU A 73 7.550 -5.589 -7.183 1.00 1.50 O ATOM 1170 OE2 GLU A 73 5.808 -5.063 -8.416 1.00 1.32 O ATOM 0 H GLU A 73 7.649 -4.865 -2.963 1.00 0.21 H new ATOM 0 HA GLU A 73 6.509 -2.495 -4.310 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.717 -5.320 -4.885 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.024 -4.878 -4.782 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.114 -3.498 -6.627 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.793 -3.067 -6.370 1.00 0.65 H new ATOM 1177 N PHE A 74 4.299 -2.425 -3.021 1.00 0.22 N ATOM 1178 CA PHE A 74 3.176 -2.310 -2.064 1.00 0.28 C ATOM 1179 C PHE A 74 1.827 -1.980 -2.706 1.00 0.25 C ATOM 1180 O PHE A 74 1.657 -0.926 -3.315 1.00 0.30 O ATOM 1181 CB PHE A 74 3.452 -1.249 -0.981 1.00 0.39 C ATOM 1182 CG PHE A 74 4.836 -0.673 -0.986 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.845 -1.277 -0.259 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.128 0.463 -1.721 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.121 -0.760 -0.261 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.406 0.986 -1.729 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.389 0.411 -0.989 1.00 0.53 C ATOM 0 H PHE A 74 4.309 -1.735 -3.772 1.00 0.22 H new ATOM 0 HA PHE A 74 3.108 -3.306 -1.626 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.737 -0.435 -1.103 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.265 -1.694 -0.004 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.630 -2.165 0.317 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.349 0.945 -2.293 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.909 -1.250 0.292 1.00 0.49 H new ATOM 0 HE2 PHE A 74 6.625 1.858 -2.328 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.374 0.853 -0.960 1.00 0.53 H new ATOM 1197 N ARG A 75 0.855 -2.878 -2.521 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.503 -2.680 -3.034 1.00 0.34 C ATOM 1199 C ARG A 75 -1.421 -2.388 -1.862 1.00 0.31 C ATOM 1200 O ARG A 75 -0.982 -2.476 -0.721 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.002 -3.918 -3.780 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.256 -5.127 -2.890 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.207 -6.205 -3.106 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.592 -7.177 -4.134 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.664 -7.960 -4.045 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.454 -7.895 -2.982 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.943 -8.814 -5.021 1.00 1.87 N ATOM 0 H ARG A 75 0.985 -3.755 -2.016 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.498 -1.847 -3.737 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.925 -3.666 -4.302 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.270 -4.189 -4.541 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.253 -4.818 -1.845 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.246 -5.533 -3.099 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.735 -5.736 -3.391 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -0.032 -6.728 -2.166 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.005 -7.257 -4.964 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.241 -7.242 -2.228 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.275 -8.498 -2.919 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.336 -8.870 -5.839 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.765 -9.415 -4.954 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.684 -2.046 -2.106 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.570 -1.768 -0.976 1.00 0.39 C ATOM 1223 C VAL A 76 -4.983 -2.313 -1.144 1.00 0.31 C ATOM 1224 O VAL A 76 -5.769 -1.851 -1.972 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.578 -0.251 -0.551 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.873 0.622 -1.571 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.970 0.304 -0.252 1.00 0.47 C ATOM 0 H VAL A 76 -3.104 -1.957 -3.031 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.130 -2.327 -0.150 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.024 -0.221 0.387 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.900 1.661 -1.242 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.836 0.300 -1.671 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.375 0.534 -2.534 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.890 1.353 0.033 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.595 0.216 -1.140 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.419 -0.261 0.565 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.286 -3.274 -0.283 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.575 -3.894 -0.207 1.00 0.31 C ATOM 1239 C ILE A 77 -7.324 -3.195 0.915 1.00 0.30 C ATOM 1240 O ILE A 77 -6.697 -2.646 1.820 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.453 -5.388 0.124 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.658 -6.117 -0.957 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.825 -5.997 0.292 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.020 -7.397 -0.469 1.00 0.42 C ATOM 0 H ILE A 77 -4.617 -3.644 0.393 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.091 -3.809 -1.163 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.912 -5.495 1.064 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.319 -6.345 -1.793 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.881 -5.454 -1.336 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.726 -7.057 0.527 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.350 -5.493 1.104 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.390 -5.881 -0.633 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.471 -7.864 -1.286 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.334 -7.173 0.348 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.794 -8.078 -0.116 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.636 -3.193 0.877 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.381 -2.524 1.933 1.00 0.30 C ATOM 1258 C ALA A 78 -10.849 -2.866 1.881 1.00 0.34 C ATOM 1259 O ALA A 78 -11.492 -2.734 0.841 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.189 -1.018 1.841 1.00 0.39 C ATOM 0 H ALA A 78 -9.202 -3.632 0.151 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.991 -2.877 2.888 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.752 -0.530 2.637 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.131 -0.779 1.946 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.547 -0.664 0.874 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.386 -3.294 3.011 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.789 -3.630 3.068 1.00 0.43 C ATOM 1268 C LYS A 79 -13.611 -2.378 2.797 1.00 0.59 C ATOM 1269 O LYS A 79 -13.159 -1.483 2.084 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.162 -4.247 4.419 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.257 -5.378 4.869 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.905 -6.179 5.990 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.566 -7.658 5.891 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.827 -8.377 7.169 1.00 1.98 N ATOM 0 H LYS A 79 -10.877 -3.414 3.887 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.005 -4.378 2.305 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.147 -3.464 5.177 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.185 -4.618 4.364 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.041 -6.034 4.026 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.304 -4.973 5.210 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -12.572 -5.793 6.953 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.987 -6.050 5.952 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.154 -8.112 5.093 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.517 -7.772 5.619 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.583 -9.382 7.058 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.247 -7.961 7.926 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.833 -8.291 7.417 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.812 -2.306 3.348 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.654 -1.154 3.130 1.00 0.70 C ATOM 1290 C ASN A 80 -16.496 -0.851 4.369 1.00 0.87 C ATOM 1291 O ASN A 80 -16.036 -0.164 5.282 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.518 -1.402 1.898 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.933 -0.781 0.645 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.403 0.255 0.177 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.903 -1.412 0.092 1.00 2.05 N ATOM 0 H ASN A 80 -15.218 -3.028 3.944 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.037 -0.273 2.952 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -16.632 -2.476 1.748 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.515 -0.996 2.070 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.471 -1.039 -0.754 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.544 -2.269 0.513 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.717 -1.365 4.408 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.596 -1.145 5.546 1.00 0.82 C ATOM 1304 C ALA A 81 -19.318 -2.431 5.934 1.00 0.88 C ATOM 1305 O ALA A 81 -19.455 -2.746 7.116 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.608 -0.051 5.238 1.00 0.83 C ATOM 0 H ALA A 81 -18.120 -1.936 3.666 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.980 -0.827 6.388 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.256 0.099 6.101 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.083 0.877 5.013 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.211 -0.344 4.378 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.784 -3.166 4.928 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.500 -4.410 5.158 1.00 0.90 C ATOM 1314 C ALA A 82 -19.598 -5.631 4.980 1.00 0.88 C ATOM 1315 O ALA A 82 -20.066 -6.701 4.589 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.694 -4.491 4.219 1.00 0.94 C ATOM 0 H ALA A 82 -19.676 -2.918 3.945 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.845 -4.414 6.192 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.230 -5.424 4.392 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -22.361 -3.649 4.405 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -21.347 -4.458 3.186 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.305 -5.477 5.270 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.381 -6.590 5.137 1.00 0.86 C ATOM 1324 C GLY A 83 -16.835 -6.754 3.730 1.00 0.78 C ATOM 1325 O GLY A 83 -15.881 -7.502 3.516 1.00 0.93 O ATOM 0 H GLY A 83 -17.885 -4.605 5.593 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.550 -6.447 5.827 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.886 -7.510 5.432 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.434 -6.061 2.766 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.988 -6.146 1.379 1.00 0.78 C ATOM 1331 C ALA A 84 -15.494 -5.863 1.270 1.00 0.76 C ATOM 1332 O ALA A 84 -15.042 -4.756 1.565 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.777 -5.176 0.512 1.00 0.92 C ATOM 0 H ALA A 84 -18.226 -5.437 2.919 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.167 -7.161 1.023 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.435 -5.249 -0.520 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.837 -5.424 0.561 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.625 -4.159 0.873 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.724 -6.864 0.846 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.282 -6.698 0.710 1.00 0.40 C ATOM 1341 C ILE A 85 -12.910 -6.152 -0.660 1.00 0.38 C ATOM 1342 O ILE A 85 -12.927 -6.874 -1.657 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.512 -8.015 0.956 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.003 -7.742 1.007 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.839 -9.042 -0.121 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.432 -7.768 2.409 1.00 0.79 C ATOM 0 H ILE A 85 -15.072 -7.789 0.594 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.991 -5.980 1.477 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.824 -8.426 1.916 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.487 -8.485 0.399 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.802 -6.769 0.559 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.286 -9.961 0.073 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.908 -9.253 -0.110 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.557 -8.648 -1.097 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.361 -7.567 2.370 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.922 -7.006 3.016 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.601 -8.749 2.853 1.00 0.79 H new ATOM 1358 N SER A 86 -12.566 -4.870 -0.709 1.00 0.39 N ATOM 1359 CA SER A 86 -12.183 -4.250 -1.972 1.00 0.45 C ATOM 1360 C SER A 86 -10.842 -4.821 -2.445 1.00 0.44 C ATOM 1361 O SER A 86 -9.831 -4.701 -1.743 1.00 0.43 O ATOM 1362 CB SER A 86 -12.108 -2.722 -1.841 1.00 0.54 C ATOM 1363 OG SER A 86 -10.770 -2.268 -1.712 1.00 0.59 O ATOM 0 H SER A 86 -12.544 -4.247 0.099 1.00 0.39 H new ATOM 0 HA SER A 86 -12.947 -4.478 -2.715 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.566 -2.260 -2.716 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.685 -2.403 -0.973 1.00 0.54 H new ATOM 0 HG SER A 86 -10.512 -2.274 -0.767 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.817 -5.452 -3.635 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.606 -6.048 -4.200 1.00 0.61 C ATOM 1371 C PRO A 87 -8.357 -5.206 -3.962 1.00 0.54 C ATOM 1372 O PRO A 87 -8.444 -4.020 -3.647 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.929 -6.117 -5.689 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.402 -6.337 -5.735 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.975 -5.637 -4.528 1.00 0.59 C ATOM 0 HA PRO A 87 -9.374 -7.010 -3.743 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.648 -5.196 -6.200 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.390 -6.929 -6.176 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.826 -5.935 -6.655 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.637 -7.401 -5.714 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.426 -4.682 -4.798 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.753 -6.234 -4.053 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.168 -5.819 -4.112 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.891 -5.129 -3.912 1.00 0.56 C ATOM 1385 C PRO A 88 -5.648 -4.044 -4.953 1.00 0.48 C ATOM 1386 O PRO A 88 -5.982 -4.206 -6.126 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.848 -6.241 -4.055 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.522 -7.301 -4.854 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.978 -7.233 -4.487 1.00 0.72 C ATOM 0 HA PRO A 88 -5.858 -4.618 -2.950 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.951 -5.879 -4.557 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.537 -6.619 -3.081 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.380 -7.134 -5.922 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.108 -8.283 -4.627 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.617 -7.517 -5.323 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.216 -7.904 -3.661 1.00 0.72 H new ATOM 1397 N SER A 89 -5.058 -2.940 -4.512 1.00 0.43 N ATOM 1398 CA SER A 89 -4.759 -1.826 -5.399 1.00 0.42 C ATOM 1399 C SER A 89 -3.329 -1.931 -5.918 1.00 0.35 C ATOM 1400 O SER A 89 -2.382 -1.667 -5.175 1.00 0.51 O ATOM 1401 CB SER A 89 -4.955 -0.495 -4.667 1.00 0.56 C ATOM 1402 OG SER A 89 -6.330 -0.238 -4.431 1.00 1.28 O ATOM 0 H SER A 89 -4.777 -2.793 -3.543 1.00 0.43 H new ATOM 0 HA SER A 89 -5.444 -1.865 -6.246 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.418 -0.516 -3.719 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.527 0.315 -5.258 1.00 0.56 H new ATOM 0 HG SER A 89 -6.712 0.230 -5.202 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.202 -2.328 -7.200 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.911 -2.502 -7.905 1.00 0.37 C ATOM 1410 C GLU A 90 -0.693 -2.087 -7.071 1.00 0.34 C ATOM 1411 O GLU A 90 -0.546 -0.916 -6.726 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.926 -1.699 -9.207 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.510 -2.503 -10.428 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.858 -1.809 -11.730 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.238 -0.767 -12.031 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -2.751 -2.306 -12.447 1.00 1.76 O ATOM 0 H GLU A 90 -4.008 -2.541 -7.788 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.809 -3.569 -8.102 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.929 -1.304 -9.368 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.259 -0.843 -9.103 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.435 -2.682 -10.392 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -1.996 -3.478 -10.399 1.00 0.90 H new ATOM 1423 N PRO A 91 0.195 -3.040 -6.723 1.00 0.30 N ATOM 1424 CA PRO A 91 1.382 -2.742 -5.919 1.00 0.29 C ATOM 1425 C PRO A 91 2.272 -1.661 -6.522 1.00 0.31 C ATOM 1426 O PRO A 91 2.474 -1.612 -7.735 1.00 0.55 O ATOM 1427 CB PRO A 91 2.154 -4.063 -5.881 1.00 0.36 C ATOM 1428 CG PRO A 91 1.173 -5.125 -6.234 1.00 0.36 C ATOM 1429 CD PRO A 91 0.105 -4.470 -7.074 1.00 0.39 C ATOM 0 HA PRO A 91 1.087 -2.362 -4.941 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.984 -4.049 -6.587 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.579 -4.238 -4.892 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.658 -5.931 -6.785 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.742 -5.567 -5.336 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.281 -4.631 -8.138 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.882 -4.874 -6.849 1.00 0.39 H new ATOM 1437 N SER A 92 2.826 -0.811 -5.659 1.00 0.27 N ATOM 1438 CA SER A 92 3.721 0.245 -6.100 1.00 0.31 C ATOM 1439 C SER A 92 5.036 -0.374 -6.514 1.00 0.27 C ATOM 1440 O SER A 92 5.491 -1.335 -5.880 1.00 0.24 O ATOM 1441 CB SER A 92 3.991 1.255 -4.983 1.00 0.39 C ATOM 1442 OG SER A 92 2.800 1.740 -4.408 1.00 1.23 O ATOM 0 H SER A 92 2.668 -0.837 -4.652 1.00 0.27 H new ATOM 0 HA SER A 92 3.249 0.767 -6.932 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.601 0.786 -4.211 1.00 0.39 H new ATOM 0 HB3 SER A 92 4.567 2.090 -5.381 1.00 0.39 H new ATOM 0 HG SER A 92 2.551 2.586 -4.836 1.00 1.23 H new ATOM 1448 N ASP A 93 5.648 0.179 -7.565 1.00 0.33 N ATOM 1449 CA ASP A 93 6.930 -0.316 -8.068 1.00 0.36 C ATOM 1450 C ASP A 93 7.865 -0.663 -6.915 1.00 0.32 C ATOM 1451 O ASP A 93 7.948 0.067 -5.929 1.00 0.56 O ATOM 1452 CB ASP A 93 7.584 0.723 -8.979 1.00 0.45 C ATOM 1453 CG ASP A 93 6.708 1.081 -10.165 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.808 1.932 -10.002 1.00 1.55 O ATOM 1455 OD2 ASP A 93 6.921 0.510 -11.255 1.00 1.63 O ATOM 0 H ASP A 93 5.274 0.973 -8.085 1.00 0.33 H new ATOM 0 HA ASP A 93 6.741 -1.221 -8.645 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.799 1.624 -8.404 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.539 0.339 -9.338 1.00 0.45 H new ATOM 1460 N ALA A 94 8.548 -1.789 -7.040 1.00 0.33 N ATOM 1461 CA ALA A 94 9.455 -2.241 -6.000 1.00 0.28 C ATOM 1462 C ALA A 94 10.605 -1.264 -5.789 1.00 0.29 C ATOM 1463 O ALA A 94 11.411 -1.025 -6.688 1.00 0.41 O ATOM 1464 CB ALA A 94 9.988 -3.628 -6.326 1.00 0.34 C ATOM 0 H ALA A 94 8.491 -2.406 -7.851 1.00 0.33 H new ATOM 0 HA ALA A 94 8.890 -2.289 -5.069 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.666 -3.952 -5.537 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.157 -4.329 -6.400 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.524 -3.598 -7.275 1.00 0.34 H new ATOM 1470 N ILE A 95 10.672 -0.708 -4.586 1.00 0.25 N ATOM 1471 CA ILE A 95 11.714 0.241 -4.226 1.00 0.28 C ATOM 1472 C ILE A 95 12.895 -0.482 -3.590 1.00 0.26 C ATOM 1473 O ILE A 95 12.790 -0.999 -2.476 1.00 0.25 O ATOM 1474 CB ILE A 95 11.152 1.304 -3.260 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.089 2.124 -3.986 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.246 2.212 -2.701 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.677 1.680 -3.681 1.00 0.44 C ATOM 0 H ILE A 95 10.008 -0.902 -3.836 1.00 0.25 H new ATOM 0 HA ILE A 95 12.062 0.739 -5.131 1.00 0.28 H new ATOM 0 HB ILE A 95 10.707 0.791 -2.407 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.199 3.173 -3.711 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.259 2.056 -5.060 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.802 2.944 -2.026 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.974 1.611 -2.156 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.743 2.730 -3.521 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.973 2.305 -4.230 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.550 0.640 -3.981 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.489 1.774 -2.611 1.00 0.44 H new ATOM 1489 N THR A 96 14.020 -0.520 -4.304 1.00 0.29 N ATOM 1490 CA THR A 96 15.226 -1.185 -3.809 1.00 0.32 C ATOM 1491 C THR A 96 15.510 -0.780 -2.369 1.00 0.32 C ATOM 1492 O THR A 96 15.917 -1.602 -1.550 1.00 0.38 O ATOM 1493 CB THR A 96 16.427 -0.843 -4.691 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.131 -1.083 -6.055 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.671 -1.634 -4.346 1.00 0.43 C ATOM 0 H THR A 96 14.122 -0.098 -5.227 1.00 0.29 H new ATOM 0 HA THR A 96 15.057 -2.261 -3.844 1.00 0.32 H new ATOM 0 HB THR A 96 16.626 0.213 -4.508 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.911 -0.857 -6.604 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.484 -1.341 -5.010 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.956 -1.432 -3.313 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.470 -2.699 -4.466 1.00 0.43 H new ATOM 1503 N CYS A 97 15.286 0.490 -2.066 1.00 0.32 N ATOM 1504 CA CYS A 97 15.509 0.995 -0.723 1.00 0.36 C ATOM 1505 C CYS A 97 16.973 0.845 -0.321 1.00 0.43 C ATOM 1506 O CYS A 97 17.367 -0.168 0.253 1.00 0.64 O ATOM 1507 CB CYS A 97 14.606 0.241 0.255 1.00 0.38 C ATOM 1508 SG CYS A 97 12.840 0.537 0.002 1.00 1.10 S ATOM 0 H CYS A 97 14.951 1.187 -2.731 1.00 0.32 H new ATOM 0 HA CYS A 97 15.265 2.057 -0.698 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.802 -0.827 0.164 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.870 0.528 1.273 1.00 0.38 H new ATOM 0 HG CYS A 97 12.486 0.083 -1.164 1.00 1.10 H new ATOM 1514 N ARG A 98 17.771 1.861 -0.628 1.00 0.53 N ATOM 1515 CA ARG A 98 19.194 1.848 -0.299 1.00 0.63 C ATOM 1516 C ARG A 98 19.655 3.229 0.149 1.00 0.80 C ATOM 1517 O ARG A 98 19.740 3.511 1.343 1.00 1.04 O ATOM 1518 CB ARG A 98 20.029 1.378 -1.499 1.00 0.68 C ATOM 1519 CG ARG A 98 19.397 1.671 -2.852 1.00 0.74 C ATOM 1520 CD ARG A 98 20.388 2.319 -3.807 1.00 0.92 C ATOM 1521 NE ARG A 98 21.289 1.341 -4.411 1.00 1.64 N ATOM 1522 CZ ARG A 98 20.909 0.450 -5.321 1.00 2.31 C ATOM 1523 NH1 ARG A 98 19.648 0.411 -5.730 1.00 3.00 N ATOM 1524 NH2 ARG A 98 21.790 -0.403 -5.824 1.00 2.68 N ATOM 0 H ARG A 98 17.457 2.706 -1.105 1.00 0.53 H new ATOM 0 HA ARG A 98 19.341 1.146 0.522 1.00 0.63 H new ATOM 0 HB2 ARG A 98 21.007 1.857 -1.456 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.195 0.304 -1.413 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.024 0.744 -3.288 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.538 2.328 -2.718 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.844 2.843 -4.592 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.972 3.066 -3.270 1.00 0.92 H new ATOM 0 HE ARG A 98 22.266 1.342 -4.118 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.967 1.066 -5.346 1.00 3.00 H new ATOM 0 HH12 ARG A 98 19.359 -0.274 -6.429 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.761 -0.376 -5.513 1.00 2.68 H new ATOM 0 HH22 ARG A 98 21.497 -1.086 -6.522 1.00 2.68 H new ATOM 1538 N ASP A 99 19.945 4.081 -0.821 1.00 0.92 N ATOM 1539 CA ASP A 99 20.394 5.440 -0.542 1.00 1.20 C ATOM 1540 C ASP A 99 19.223 6.415 -0.596 1.00 1.03 C ATOM 1541 O ASP A 99 19.390 7.583 -0.946 1.00 1.20 O ATOM 1542 CB ASP A 99 21.465 5.860 -1.548 1.00 1.61 C ATOM 1543 CG ASP A 99 20.919 5.972 -2.958 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.389 4.964 -3.472 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.018 7.069 -3.547 1.00 2.14 O ATOM 0 H ASP A 99 19.878 3.856 -1.814 1.00 0.92 H new ATOM 0 HA ASP A 99 20.819 5.460 0.461 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.887 6.819 -1.247 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.279 5.135 -1.533 1.00 1.61 H new ATOM 1550 N ASP A 100 18.038 5.918 -0.253 1.00 0.85 N ATOM 1551 CA ASP A 100 16.821 6.724 -0.257 1.00 0.92 C ATOM 1552 C ASP A 100 16.708 7.580 -1.508 1.00 1.22 C ATOM 1553 O ASP A 100 16.070 8.633 -1.503 1.00 1.38 O ATOM 1554 CB ASP A 100 16.766 7.607 0.985 1.00 0.87 C ATOM 1555 CG ASP A 100 15.480 7.442 1.768 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.432 6.557 2.648 1.00 2.06 O ATOM 1557 OD2 ASP A 100 14.521 8.198 1.504 1.00 2.03 O ATOM 0 H ASP A 100 17.894 4.950 0.034 1.00 0.85 H new ATOM 0 HA ASP A 100 15.976 6.035 -0.250 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.612 7.370 1.631 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.874 8.650 0.688 1.00 0.87 H new