USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 8 HIS : no HD1:sc= -0.622 X(o=-0.62,f=-0.16) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.59 K(o=-1.6,f=-7.1!) USER MOD Single : A 24 HIS : no HD1:sc= -0.272 X(o=-0.27,f=-0.11) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 84:sc= 0.0511 USER MOD Single : A 38 HIS : no HD1:sc= -0.021 X(o=-0.021,f=-0.0047) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -136:sc= -4.7! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -25:sc= 0.608 USER MOD Single : A 71 SER OG : rot -71:sc= 1.19 USER MOD Single : A 75 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.6!) USER MOD Single : A 76 GLN : amide:sc= -0.896 K(o=-0.9,f=-2.7!) USER MOD Single : A 77 TYR OH : rot 30:sc= -0.223 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -57:sc= 1.12 USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= 0.271 (180deg=-0.127) USER MOD Single : A 90 ASN :FLIP amide:sc= 0.0488 F(o=-1.1,f=0.049) USER MOD Single : A 93 THR OG1 : rot 18:sc= -0.0678 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.00146) USER MOD Single : A 99 TYR OH : rot 171:sc= 0.0404 USER MOD Single : A 100 THR OG1 : rot -78:sc= 0.749 USER MOD Single : A 110 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.59) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -3.935 4.717 13.982 1.00 1.37 N ATOM 40 CA GLU A 4 -3.773 3.266 14.287 1.00 1.14 C ATOM 41 C GLU A 4 -2.973 2.570 13.179 1.00 0.89 C ATOM 42 O GLU A 4 -2.708 3.138 12.139 1.00 1.30 O ATOM 43 CB GLU A 4 -5.201 2.710 14.364 1.00 1.67 C ATOM 44 CG GLU A 4 -5.859 2.750 12.981 1.00 2.39 C ATOM 45 CD GLU A 4 -4.777 2.699 11.900 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.187 3.733 11.631 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.556 1.627 11.360 1.00 3.09 O ATOM 0 HA GLU A 4 -3.225 3.100 15.215 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -5.181 1.686 14.736 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.789 3.294 15.072 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -6.542 1.908 12.867 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.452 3.658 12.875 1.00 2.39 H new ATOM 54 N GLU A 5 -2.589 1.342 13.398 1.00 1.00 N ATOM 55 CA GLU A 5 -1.810 0.603 12.364 1.00 0.81 C ATOM 56 C GLU A 5 -1.742 -0.884 12.726 1.00 0.87 C ATOM 57 O GLU A 5 -1.425 -1.246 13.841 1.00 1.15 O ATOM 58 CB GLU A 5 -0.415 1.228 12.395 1.00 0.95 C ATOM 59 CG GLU A 5 0.177 1.086 13.798 1.00 1.46 C ATOM 60 CD GLU A 5 1.358 2.046 13.952 1.00 1.82 C ATOM 61 OE1 GLU A 5 2.278 1.955 13.155 1.00 2.50 O ATOM 62 OE2 GLU A 5 1.323 2.855 14.864 1.00 2.19 O ATOM 0 H GLU A 5 -2.782 0.817 14.251 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.262 0.672 11.375 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.230 0.739 11.665 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.470 2.280 12.117 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.583 1.304 14.549 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.505 0.060 13.964 1.00 1.46 H new ATOM 69 N GLU A 6 -2.046 -1.746 11.795 1.00 0.79 N ATOM 70 CA GLU A 6 -2.008 -3.207 12.095 1.00 1.04 C ATOM 71 C GLU A 6 -0.743 -3.843 11.506 1.00 1.10 C ATOM 72 O GLU A 6 -0.350 -3.553 10.395 1.00 1.76 O ATOM 73 CB GLU A 6 -3.256 -3.776 11.422 1.00 1.28 C ATOM 74 CG GLU A 6 -4.469 -3.552 12.327 1.00 1.68 C ATOM 75 CD GLU A 6 -5.419 -4.745 12.214 1.00 1.97 C ATOM 76 OE1 GLU A 6 -6.255 -4.730 11.325 1.00 2.24 O ATOM 77 OE2 GLU A 6 -5.297 -5.654 13.019 1.00 2.63 O ATOM 0 H GLU A 6 -2.318 -1.504 10.842 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.990 -3.408 13.166 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.414 -3.294 10.457 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -3.125 -4.841 11.228 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.146 -3.427 13.361 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.984 -2.635 12.041 1.00 1.68 H new ATOM 84 N ASP A 7 -0.105 -4.712 12.246 1.00 1.27 N ATOM 85 CA ASP A 7 1.134 -5.371 11.733 1.00 1.35 C ATOM 86 C ASP A 7 2.108 -4.324 11.184 1.00 1.28 C ATOM 87 O ASP A 7 2.630 -4.459 10.095 1.00 2.01 O ATOM 88 CB ASP A 7 0.655 -6.296 10.614 1.00 1.53 C ATOM 89 CG ASP A 7 -0.234 -7.392 11.203 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.292 -8.243 11.903 1.00 2.36 O ATOM 91 OD2 ASP A 7 -1.426 -7.365 10.945 1.00 2.57 O ATOM 0 H ASP A 7 -0.388 -4.994 13.184 1.00 1.27 H new ATOM 0 HA ASP A 7 1.664 -5.915 12.515 1.00 1.35 H new ATOM 0 HB2 ASP A 7 0.101 -5.726 9.868 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.510 -6.741 10.105 1.00 1.53 H new ATOM 96 N HIS A 8 2.353 -3.282 11.930 1.00 1.21 N ATOM 97 CA HIS A 8 3.289 -2.223 11.452 1.00 1.11 C ATOM 98 C HIS A 8 2.867 -1.727 10.066 1.00 0.81 C ATOM 99 O HIS A 8 3.659 -1.185 9.322 1.00 0.87 O ATOM 100 CB HIS A 8 4.660 -2.900 11.388 1.00 1.32 C ATOM 101 CG HIS A 8 5.165 -3.142 12.783 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.495 -2.960 13.129 1.00 2.30 N ATOM 103 CD2 HIS A 8 4.532 -3.551 13.931 1.00 2.02 C ATOM 104 CE1 HIS A 8 6.618 -3.256 14.437 1.00 2.53 C ATOM 105 NE2 HIS A 8 5.451 -3.623 14.973 1.00 2.33 N ATOM 0 H HIS A 8 1.946 -3.117 12.851 1.00 1.21 H new ATOM 0 HA HIS A 8 3.296 -1.354 12.110 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.587 -3.844 10.848 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.362 -2.272 10.839 1.00 1.32 H new ATOM 0 HD2 HIS A 8 3.480 -3.782 14.013 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.547 -3.203 14.986 1.00 2.53 H new ATOM 0 HE2 HIS A 8 5.272 -3.897 15.939 1.00 2.33 H new ATOM 113 N VAL A 9 1.621 -1.902 9.718 1.00 0.69 N ATOM 114 CA VAL A 9 1.145 -1.433 8.383 1.00 0.49 C ATOM 115 C VAL A 9 0.179 -0.261 8.567 1.00 0.41 C ATOM 116 O VAL A 9 -0.471 -0.136 9.586 1.00 0.54 O ATOM 117 CB VAL A 9 0.430 -2.637 7.763 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.040 -2.313 6.321 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.363 -3.851 7.774 1.00 0.89 C ATOM 0 H VAL A 9 0.912 -2.349 10.299 1.00 0.69 H new ATOM 0 HA VAL A 9 1.958 -1.084 7.747 1.00 0.49 H new ATOM 0 HB VAL A 9 -0.466 -2.861 8.343 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.469 -3.170 5.880 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.626 -1.450 6.309 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.936 -2.087 5.744 1.00 0.88 H new ATOM 0 HG21 VAL A 9 0.852 -4.707 7.332 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.260 -3.626 7.196 1.00 0.89 H new ATOM 0 HG23 VAL A 9 1.642 -4.086 8.801 1.00 0.89 H new ATOM 129 N LEU A 10 0.086 0.608 7.599 1.00 0.41 N ATOM 130 CA LEU A 10 -0.830 1.775 7.737 1.00 0.54 C ATOM 131 C LEU A 10 -2.235 1.427 7.238 1.00 0.42 C ATOM 132 O LEU A 10 -2.406 0.678 6.298 1.00 0.59 O ATOM 133 CB LEU A 10 -0.212 2.869 6.866 1.00 0.83 C ATOM 134 CG LEU A 10 -0.091 4.161 7.678 1.00 0.96 C ATOM 135 CD1 LEU A 10 1.385 4.485 7.915 1.00 1.49 C ATOM 136 CD2 LEU A 10 -0.748 5.309 6.909 1.00 1.30 C ATOM 0 H LEU A 10 0.603 0.561 6.721 1.00 0.41 H new ATOM 0 HA LEU A 10 -0.937 2.085 8.776 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.770 2.556 6.513 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -0.829 3.038 5.984 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.590 4.032 8.638 1.00 0.96 H new ATOM 0 HD11 LEU A 10 1.467 5.405 8.493 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.853 3.668 8.464 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.888 4.613 6.956 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -0.662 6.230 7.486 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.249 5.436 5.948 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -1.801 5.081 6.744 1.00 1.30 H new ATOM 148 N VAL A 11 -3.241 1.979 7.857 1.00 0.54 N ATOM 149 CA VAL A 11 -4.637 1.699 7.415 1.00 0.46 C ATOM 150 C VAL A 11 -5.231 2.965 6.791 1.00 0.43 C ATOM 151 O VAL A 11 -5.014 4.061 7.268 1.00 0.54 O ATOM 152 CB VAL A 11 -5.395 1.304 8.686 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.214 2.384 9.755 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.883 1.148 8.368 1.00 1.04 C ATOM 0 H VAL A 11 -3.157 2.613 8.651 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.693 0.910 6.665 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.000 0.359 9.058 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -5.755 2.098 10.657 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.154 2.493 9.987 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -5.603 3.332 9.384 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.421 0.867 9.273 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.275 2.092 7.991 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -7.014 0.373 7.613 1.00 1.04 H new ATOM 164 N LEU A 12 -5.964 2.831 5.719 1.00 0.40 N ATOM 165 CA LEU A 12 -6.547 4.039 5.068 1.00 0.45 C ATOM 166 C LEU A 12 -8.037 4.163 5.398 1.00 0.44 C ATOM 167 O LEU A 12 -8.715 3.185 5.637 1.00 0.58 O ATOM 168 CB LEU A 12 -6.349 3.814 3.566 1.00 0.63 C ATOM 169 CG LEU A 12 -5.003 4.394 3.118 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.946 5.885 3.448 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.865 3.672 3.838 1.00 1.16 C ATOM 0 H LEU A 12 -6.183 1.943 5.268 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.072 4.958 5.412 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.387 2.748 3.342 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.160 4.285 3.010 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.897 4.257 2.042 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.987 6.292 3.127 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -5.752 6.404 2.929 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -5.058 6.024 4.523 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.910 4.087 3.517 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.974 3.803 4.915 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -3.898 2.609 3.597 1.00 1.16 H new ATOM 183 N ARG A 13 -8.548 5.363 5.407 1.00 0.47 N ATOM 184 CA ARG A 13 -9.993 5.562 5.716 1.00 0.55 C ATOM 185 C ARG A 13 -10.598 6.584 4.747 1.00 0.54 C ATOM 186 O ARG A 13 -9.997 6.942 3.754 1.00 0.73 O ATOM 187 CB ARG A 13 -10.024 6.094 7.149 1.00 0.69 C ATOM 188 CG ARG A 13 -9.979 4.920 8.129 1.00 1.19 C ATOM 189 CD ARG A 13 -11.345 4.235 8.170 1.00 1.28 C ATOM 190 NE ARG A 13 -12.051 4.859 9.324 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.592 6.040 9.198 1.00 2.30 C ATOM 192 NH1 ARG A 13 -13.460 6.262 8.250 1.00 2.68 N ATOM 193 NH2 ARG A 13 -12.263 6.999 10.020 1.00 2.84 N ATOM 0 H ARG A 13 -8.026 6.217 5.213 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.571 4.643 5.614 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.176 6.758 7.320 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.927 6.682 7.311 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.212 4.208 7.824 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.708 5.274 9.124 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -11.893 4.390 7.241 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.243 3.158 8.304 1.00 1.28 H new ATOM 0 HE ARG A 13 -12.112 4.363 10.213 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -13.716 5.513 7.607 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -13.883 7.185 8.152 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -11.583 6.825 10.760 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -12.686 7.922 9.922 1.00 2.84 H new ATOM 207 N LYS A 14 -11.782 7.057 5.027 1.00 0.58 N ATOM 208 CA LYS A 14 -12.419 8.054 4.119 1.00 0.63 C ATOM 209 C LYS A 14 -11.722 9.413 4.248 1.00 0.65 C ATOM 210 O LYS A 14 -11.558 10.131 3.281 1.00 0.83 O ATOM 211 CB LYS A 14 -13.869 8.152 4.593 1.00 0.74 C ATOM 212 CG LYS A 14 -14.782 8.399 3.390 1.00 1.26 C ATOM 213 CD LYS A 14 -15.432 9.778 3.514 1.00 1.92 C ATOM 214 CE LYS A 14 -16.933 9.613 3.767 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.385 10.938 4.273 1.00 2.80 N ATOM 0 H LYS A 14 -12.335 6.797 5.844 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.349 7.759 3.072 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.160 7.233 5.101 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -13.973 8.962 5.315 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.207 8.339 2.466 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.550 7.627 3.339 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -14.974 10.336 4.331 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -15.267 10.353 2.603 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -17.460 9.339 2.853 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -17.127 8.825 4.495 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.406 10.905 4.470 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -16.871 11.169 5.147 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -17.194 11.667 3.556 1.00 2.80 H new ATOM 229 N SER A 15 -11.316 9.772 5.435 1.00 0.68 N ATOM 230 CA SER A 15 -10.634 11.087 5.624 1.00 0.88 C ATOM 231 C SER A 15 -9.122 10.893 5.801 1.00 0.81 C ATOM 232 O SER A 15 -8.352 11.823 5.677 1.00 1.05 O ATOM 233 CB SER A 15 -11.250 11.667 6.898 1.00 1.10 C ATOM 234 OG SER A 15 -12.313 12.542 6.554 1.00 1.68 O ATOM 0 H SER A 15 -11.426 9.214 6.282 1.00 0.68 H new ATOM 0 HA SER A 15 -10.766 11.744 4.764 1.00 0.88 H new ATOM 0 HB2 SER A 15 -11.618 10.863 7.535 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.493 12.204 7.469 1.00 1.10 H new ATOM 0 HG SER A 15 -12.709 12.912 7.370 1.00 1.68 H new ATOM 240 N ASN A 16 -8.694 9.695 6.092 1.00 0.65 N ATOM 241 CA ASN A 16 -7.235 9.447 6.278 1.00 0.68 C ATOM 242 C ASN A 16 -6.556 9.165 4.930 1.00 0.55 C ATOM 243 O ASN A 16 -5.346 9.103 4.839 1.00 0.56 O ATOM 244 CB ASN A 16 -7.161 8.219 7.187 1.00 0.87 C ATOM 245 CG ASN A 16 -5.732 8.052 7.707 1.00 0.91 C ATOM 246 OD1 ASN A 16 -4.880 8.878 7.454 1.00 1.74 O ATOM 247 ND2 ASN A 16 -5.434 7.007 8.432 1.00 0.98 N ATOM 0 H ASN A 16 -9.291 8.877 6.209 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.723 10.308 6.707 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.852 8.330 8.022 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -7.465 7.328 6.638 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -4.485 6.885 8.786 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.150 6.313 8.645 1.00 0.98 H new ATOM 254 N PHE A 17 -7.321 8.994 3.885 1.00 0.55 N ATOM 255 CA PHE A 17 -6.711 8.718 2.551 1.00 0.51 C ATOM 256 C PHE A 17 -5.755 9.845 2.157 1.00 0.46 C ATOM 257 O PHE A 17 -4.577 9.633 1.949 1.00 0.52 O ATOM 258 CB PHE A 17 -7.893 8.669 1.583 1.00 0.56 C ATOM 259 CG PHE A 17 -7.401 8.292 0.207 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.779 9.253 -0.599 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.564 6.983 -0.261 1.00 0.78 C ATOM 262 CE1 PHE A 17 -6.321 8.905 -1.875 1.00 0.90 C ATOM 263 CE2 PHE A 17 -7.105 6.635 -1.538 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.484 7.596 -2.344 1.00 0.87 C ATOM 0 H PHE A 17 -8.340 9.033 3.897 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.133 7.794 2.548 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.630 7.944 1.929 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.390 9.638 1.550 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.653 10.262 -0.236 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -8.043 6.242 0.362 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.842 9.646 -2.498 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -7.230 5.625 -1.900 1.00 0.89 H new ATOM 0 HZ PHE A 17 -6.130 7.328 -3.328 1.00 0.87 H new ATOM 274 N ALA A 18 -6.260 11.041 2.046 1.00 0.52 N ATOM 275 CA ALA A 18 -5.391 12.190 1.656 1.00 0.66 C ATOM 276 C ALA A 18 -4.288 12.412 2.696 1.00 0.59 C ATOM 277 O ALA A 18 -3.300 13.067 2.432 1.00 0.75 O ATOM 278 CB ALA A 18 -6.328 13.396 1.605 1.00 0.84 C ATOM 0 H ALA A 18 -7.239 11.275 2.209 1.00 0.52 H new ATOM 0 HA ALA A 18 -4.891 12.017 0.703 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -5.763 14.284 1.324 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.112 13.217 0.869 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -6.779 13.548 2.586 1.00 0.84 H new ATOM 284 N GLU A 19 -4.444 11.871 3.873 1.00 0.46 N ATOM 285 CA GLU A 19 -3.397 12.056 4.918 1.00 0.49 C ATOM 286 C GLU A 19 -2.157 11.237 4.561 1.00 0.48 C ATOM 287 O GLU A 19 -1.089 11.773 4.339 1.00 0.56 O ATOM 288 CB GLU A 19 -4.025 11.535 6.210 1.00 0.55 C ATOM 289 CG GLU A 19 -3.085 11.819 7.385 1.00 0.69 C ATOM 290 CD GLU A 19 -3.826 12.630 8.449 1.00 1.04 C ATOM 291 OE1 GLU A 19 -4.713 12.076 9.076 1.00 1.78 O ATOM 292 OE2 GLU A 19 -3.491 13.792 8.620 1.00 1.66 O ATOM 0 H GLU A 19 -5.248 11.311 4.156 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.083 13.096 5.011 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -4.989 12.015 6.378 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.212 10.464 6.130 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.726 10.882 7.812 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.209 12.368 7.039 1.00 0.69 H new ATOM 299 N ALA A 20 -2.292 9.942 4.500 1.00 0.45 N ATOM 300 CA ALA A 20 -1.121 9.089 4.148 1.00 0.53 C ATOM 301 C ALA A 20 -0.583 9.497 2.776 1.00 0.57 C ATOM 302 O ALA A 20 0.597 9.398 2.501 1.00 0.71 O ATOM 303 CB ALA A 20 -1.665 7.661 4.111 1.00 0.57 C ATOM 0 H ALA A 20 -3.160 9.437 4.678 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.301 9.188 4.860 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -0.860 6.971 3.858 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.071 7.401 5.088 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.452 7.591 3.360 1.00 0.57 H new ATOM 309 N LEU A 21 -1.445 9.961 1.916 1.00 0.55 N ATOM 310 CA LEU A 21 -1.003 10.388 0.559 1.00 0.69 C ATOM 311 C LEU A 21 0.043 11.499 0.674 1.00 0.75 C ATOM 312 O LEU A 21 1.031 11.516 -0.032 1.00 0.92 O ATOM 313 CB LEU A 21 -2.276 10.907 -0.115 1.00 0.74 C ATOM 314 CG LEU A 21 -2.801 9.876 -1.123 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.832 9.781 -2.300 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.935 8.502 -0.457 1.00 0.90 C ATOM 0 H LEU A 21 -2.444 10.064 2.096 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.541 9.580 -0.008 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -3.038 11.111 0.638 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -2.069 11.849 -0.622 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.782 10.192 -1.477 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.202 9.049 -3.018 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -1.750 10.754 -2.783 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.851 9.471 -1.940 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -3.308 7.780 -1.184 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.960 8.178 -0.092 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.632 8.569 0.379 1.00 0.90 H new ATOM 328 N ALA A 22 -0.168 12.423 1.568 1.00 0.71 N ATOM 329 CA ALA A 22 0.809 13.535 1.744 1.00 0.85 C ATOM 330 C ALA A 22 1.702 13.274 2.963 1.00 0.89 C ATOM 331 O ALA A 22 2.706 13.930 3.159 1.00 1.08 O ATOM 332 CB ALA A 22 -0.048 14.781 1.967 1.00 1.00 C ATOM 0 H ALA A 22 -0.978 12.457 2.187 1.00 0.71 H new ATOM 0 HA ALA A 22 1.471 13.641 0.885 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.599 15.647 2.106 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -0.689 14.942 1.100 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -0.666 14.644 2.854 1.00 1.00 H new ATOM 338 N ALA A 23 1.343 12.325 3.787 1.00 0.86 N ATOM 339 CA ALA A 23 2.170 12.030 4.993 1.00 0.93 C ATOM 340 C ALA A 23 3.596 11.644 4.586 1.00 0.85 C ATOM 341 O ALA A 23 4.558 12.240 5.028 1.00 0.95 O ATOM 342 CB ALA A 23 1.468 10.854 5.670 1.00 1.05 C ATOM 0 H ALA A 23 0.513 11.742 3.677 1.00 0.86 H new ATOM 0 HA ALA A 23 2.257 12.893 5.654 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.015 10.573 6.570 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.452 11.142 5.938 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.436 10.006 4.985 1.00 1.05 H new ATOM 348 N HIS A 24 3.742 10.649 3.754 1.00 0.83 N ATOM 349 CA HIS A 24 5.111 10.228 3.332 1.00 0.84 C ATOM 350 C HIS A 24 5.263 10.338 1.811 1.00 0.82 C ATOM 351 O HIS A 24 4.324 10.642 1.102 1.00 1.30 O ATOM 352 CB HIS A 24 5.229 8.771 3.776 1.00 0.95 C ATOM 353 CG HIS A 24 5.884 8.710 5.130 1.00 1.22 C ATOM 354 ND1 HIS A 24 7.257 8.595 5.282 1.00 1.80 N ATOM 355 CD2 HIS A 24 5.368 8.747 6.402 1.00 1.84 C ATOM 356 CE1 HIS A 24 7.517 8.567 6.602 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.401 8.656 7.329 1.00 2.00 N ATOM 0 H HIS A 24 2.976 10.110 3.349 1.00 0.83 H new ATOM 0 HA HIS A 24 5.886 10.856 3.771 1.00 0.84 H new ATOM 0 HB2 HIS A 24 4.242 8.311 3.817 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.814 8.205 3.051 1.00 0.95 H new ATOM 0 HD2 HIS A 24 4.319 8.834 6.646 1.00 1.84 H new ATOM 0 HE1 HIS A 24 8.508 8.483 7.022 1.00 2.04 H new ATOM 0 HE2 HIS A 24 6.323 8.657 8.346 1.00 2.00 H new ATOM 365 N LYS A 25 6.442 10.089 1.308 1.00 0.72 N ATOM 366 CA LYS A 25 6.662 10.174 -0.166 1.00 0.69 C ATOM 367 C LYS A 25 6.017 8.977 -0.866 1.00 0.59 C ATOM 368 O LYS A 25 4.981 9.096 -1.491 1.00 0.68 O ATOM 369 CB LYS A 25 8.182 10.144 -0.342 1.00 0.81 C ATOM 370 CG LYS A 25 8.715 11.576 -0.408 1.00 1.20 C ATOM 371 CD LYS A 25 9.749 11.684 -1.531 1.00 1.51 C ATOM 372 CE LYS A 25 9.128 12.416 -2.725 1.00 2.06 C ATOM 373 NZ LYS A 25 9.720 13.782 -2.687 1.00 2.47 N ATOM 0 H LYS A 25 7.264 9.830 1.854 1.00 0.72 H new ATOM 0 HA LYS A 25 6.219 11.071 -0.599 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.645 9.610 0.488 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.443 9.605 -1.253 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.896 12.273 -0.585 1.00 1.20 H new ATOM 0 HG3 LYS A 25 9.167 11.851 0.545 1.00 1.20 H new ATOM 0 HD2 LYS A 25 10.630 12.221 -1.179 1.00 1.51 H new ATOM 0 HD3 LYS A 25 10.081 10.690 -1.832 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.360 11.911 -3.662 1.00 2.06 H new ATOM 0 HE3 LYS A 25 8.042 12.454 -2.644 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 9.343 14.346 -3.475 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 9.477 14.241 -1.786 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.754 13.715 -2.773 1.00 2.47 H new ATOM 387 N TYR A 26 6.615 7.820 -0.765 1.00 0.52 N ATOM 388 CA TYR A 26 6.026 6.620 -1.423 1.00 0.48 C ATOM 389 C TYR A 26 5.036 5.943 -0.473 1.00 0.46 C ATOM 390 O TYR A 26 5.417 5.349 0.516 1.00 0.53 O ATOM 391 CB TYR A 26 7.213 5.699 -1.711 1.00 0.56 C ATOM 392 CG TYR A 26 8.215 6.420 -2.582 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.781 7.147 -3.698 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.577 6.361 -2.272 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.713 7.813 -4.504 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.509 7.027 -3.078 1.00 1.31 C ATOM 397 CZ TYR A 26 10.077 7.753 -4.194 1.00 1.08 C ATOM 398 OH TYR A 26 10.995 8.409 -4.988 1.00 1.33 O ATOM 0 H TYR A 26 7.484 7.655 -0.256 1.00 0.52 H new ATOM 0 HA TYR A 26 5.480 6.869 -2.333 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.683 5.392 -0.777 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.870 4.792 -2.209 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.729 7.194 -3.937 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.911 5.802 -1.411 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.379 8.373 -5.365 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.561 6.980 -2.838 1.00 1.31 H new ATOM 0 HH TYR A 26 11.897 8.266 -4.632 1.00 1.33 H new ATOM 408 N LEU A 27 3.769 6.030 -0.765 1.00 0.46 N ATOM 409 CA LEU A 27 2.757 5.393 0.123 1.00 0.45 C ATOM 410 C LEU A 27 1.975 4.336 -0.655 1.00 0.40 C ATOM 411 O LEU A 27 1.293 4.638 -1.614 1.00 0.50 O ATOM 412 CB LEU A 27 1.836 6.535 0.554 1.00 0.51 C ATOM 413 CG LEU A 27 1.532 6.412 2.049 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.835 5.077 2.320 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.838 6.475 2.845 1.00 0.66 C ATOM 0 H LEU A 27 3.390 6.514 -1.579 1.00 0.46 H new ATOM 0 HA LEU A 27 3.209 4.891 0.979 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.309 7.495 0.346 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.910 6.505 -0.020 1.00 0.51 H new ATOM 0 HG LEU A 27 0.881 7.231 2.354 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.618 4.989 3.385 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.096 5.032 1.755 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.486 4.258 2.013 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.620 6.387 3.909 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.490 5.657 2.540 1.00 0.66 H new ATOM 0 HD23 LEU A 27 3.335 7.426 2.654 1.00 0.66 H new ATOM 427 N LEU A 28 2.071 3.100 -0.259 1.00 0.33 N ATOM 428 CA LEU A 28 1.331 2.035 -0.993 1.00 0.32 C ATOM 429 C LEU A 28 -0.009 1.747 -0.312 1.00 0.29 C ATOM 430 O LEU A 28 -0.109 1.724 0.895 1.00 0.35 O ATOM 431 CB LEU A 28 2.235 0.808 -0.932 1.00 0.40 C ATOM 432 CG LEU A 28 1.607 -0.317 -1.751 1.00 0.53 C ATOM 433 CD1 LEU A 28 1.787 -0.017 -3.240 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.289 -1.641 -1.403 1.00 1.12 C ATOM 0 H LEU A 28 2.625 2.781 0.535 1.00 0.33 H new ATOM 0 HA LEU A 28 1.107 2.327 -2.019 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.224 1.050 -1.322 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.369 0.491 0.102 1.00 0.40 H new ATOM 0 HG LEU A 28 0.544 -0.390 -1.523 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.340 -0.818 -3.829 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.300 0.927 -3.482 1.00 0.73 H new ATOM 0 HD13 LEU A 28 2.850 0.054 -3.471 1.00 0.73 H new ATOM 0 HD21 LEU A 28 1.842 -2.445 -1.987 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.352 -1.574 -1.633 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.160 -1.849 -0.341 1.00 1.12 H new ATOM 446 N VAL A 29 -1.038 1.522 -1.080 1.00 0.32 N ATOM 447 CA VAL A 29 -2.369 1.229 -0.477 1.00 0.32 C ATOM 448 C VAL A 29 -2.974 -0.017 -1.126 1.00 0.34 C ATOM 449 O VAL A 29 -2.980 -0.157 -2.333 1.00 0.47 O ATOM 450 CB VAL A 29 -3.222 2.461 -0.777 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.594 2.303 -0.119 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.530 3.708 -0.220 1.00 0.77 C ATOM 0 H VAL A 29 -1.015 1.528 -2.100 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.306 1.033 0.593 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.345 2.564 -1.855 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.203 3.181 -0.332 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -5.087 1.415 -0.514 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.471 2.200 0.959 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.138 4.587 -0.434 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.407 3.605 0.858 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.552 3.821 -0.688 1.00 0.77 H new ATOM 462 N GLU A 30 -3.480 -0.926 -0.337 1.00 0.32 N ATOM 463 CA GLU A 30 -4.077 -2.162 -0.919 1.00 0.39 C ATOM 464 C GLU A 30 -5.585 -2.200 -0.653 1.00 0.36 C ATOM 465 O GLU A 30 -6.032 -2.086 0.471 1.00 0.42 O ATOM 466 CB GLU A 30 -3.367 -3.317 -0.204 1.00 0.52 C ATOM 467 CG GLU A 30 -4.041 -4.647 -0.559 1.00 0.64 C ATOM 468 CD GLU A 30 -3.146 -5.806 -0.115 1.00 0.89 C ATOM 469 OE1 GLU A 30 -3.157 -6.119 1.063 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.465 -6.360 -0.962 1.00 1.48 O ATOM 0 H GLU A 30 -3.506 -0.867 0.681 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.950 -2.215 -2.000 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.316 -3.344 -0.493 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.397 -3.161 0.874 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -5.013 -4.716 -0.071 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -4.219 -4.702 -1.633 1.00 0.64 H new ATOM 477 N PHE A 31 -6.368 -2.372 -1.680 1.00 0.35 N ATOM 478 CA PHE A 31 -7.844 -2.431 -1.492 1.00 0.36 C ATOM 479 C PHE A 31 -8.288 -3.890 -1.411 1.00 0.39 C ATOM 480 O PHE A 31 -8.357 -4.581 -2.407 1.00 0.49 O ATOM 481 CB PHE A 31 -8.425 -1.757 -2.733 1.00 0.41 C ATOM 482 CG PHE A 31 -8.221 -0.264 -2.640 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.930 0.273 -2.726 1.00 0.45 C ATOM 484 CD2 PHE A 31 -9.321 0.584 -2.467 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.740 1.657 -2.640 1.00 0.52 C ATOM 486 CE2 PHE A 31 -9.131 1.968 -2.382 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.841 2.505 -2.468 1.00 0.53 C ATOM 0 H PHE A 31 -6.049 -2.475 -2.643 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.175 -1.941 -0.576 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.942 -2.145 -3.630 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.488 -1.985 -2.819 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -6.081 -0.381 -2.859 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -10.316 0.170 -2.399 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.745 2.071 -2.706 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.980 2.622 -2.250 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.695 3.573 -2.402 1.00 0.53 H new ATOM 497 N TYR A 32 -8.579 -4.374 -0.233 1.00 0.37 N ATOM 498 CA TYR A 32 -9.001 -5.796 -0.113 1.00 0.44 C ATOM 499 C TYR A 32 -10.194 -5.934 0.845 1.00 0.40 C ATOM 500 O TYR A 32 -10.530 -5.023 1.576 1.00 0.45 O ATOM 501 CB TYR A 32 -7.755 -6.530 0.420 1.00 0.54 C ATOM 502 CG TYR A 32 -7.605 -6.317 1.914 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.135 -5.090 2.395 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.923 -7.346 2.808 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.982 -4.890 3.769 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.768 -7.146 4.185 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.363 -5.930 4.674 1.00 0.77 C ATOM 508 OH TYR A 32 -7.145 -5.720 6.023 1.00 0.94 O ATOM 0 H TYR A 32 -8.543 -3.851 0.642 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.338 -6.212 -1.062 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.835 -7.596 0.206 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.865 -6.168 -0.095 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.890 -4.297 1.704 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.287 -8.292 2.436 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.580 -3.960 4.144 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.969 -7.957 4.869 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.895 -5.215 6.401 1.00 0.94 H new ATOM 518 N ALA A 33 -10.816 -7.077 0.853 1.00 0.40 N ATOM 519 CA ALA A 33 -11.971 -7.299 1.767 1.00 0.44 C ATOM 520 C ALA A 33 -11.728 -8.568 2.596 1.00 0.53 C ATOM 521 O ALA A 33 -10.881 -9.371 2.255 1.00 0.56 O ATOM 522 CB ALA A 33 -13.179 -7.478 0.846 1.00 0.49 C ATOM 0 H ALA A 33 -10.574 -7.873 0.263 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.120 -6.476 2.466 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -14.073 -7.647 1.447 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.312 -6.581 0.242 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -13.014 -8.334 0.192 1.00 0.49 H new ATOM 528 N PRO A 34 -12.480 -8.720 3.658 1.00 0.63 N ATOM 529 CA PRO A 34 -12.332 -9.916 4.528 1.00 0.78 C ATOM 530 C PRO A 34 -12.776 -11.176 3.780 1.00 0.82 C ATOM 531 O PRO A 34 -12.370 -12.275 4.097 1.00 0.96 O ATOM 532 CB PRO A 34 -13.256 -9.618 5.707 1.00 0.90 C ATOM 533 CG PRO A 34 -14.259 -8.652 5.163 1.00 0.81 C ATOM 534 CD PRO A 34 -13.531 -7.818 4.145 1.00 0.66 C ATOM 0 HA PRO A 34 -11.304 -10.099 4.840 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.737 -10.525 6.073 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.705 -9.189 6.544 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -15.098 -9.178 4.707 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.668 -8.027 5.957 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.192 -7.499 3.339 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.112 -6.915 4.590 1.00 0.66 H new ATOM 542 N TRP A 35 -13.600 -11.020 2.781 1.00 0.74 N ATOM 543 CA TRP A 35 -14.062 -12.210 2.004 1.00 0.83 C ATOM 544 C TRP A 35 -13.174 -12.423 0.770 1.00 0.78 C ATOM 545 O TRP A 35 -13.307 -13.404 0.064 1.00 0.92 O ATOM 546 CB TRP A 35 -15.499 -11.889 1.582 1.00 0.91 C ATOM 547 CG TRP A 35 -15.529 -10.603 0.819 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.961 -9.420 1.315 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.124 -10.347 -0.557 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.847 -8.456 0.330 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.336 -8.977 -0.841 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.598 -11.162 -1.576 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.038 -8.434 -2.091 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.297 -10.619 -2.836 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.517 -9.258 -3.093 1.00 2.26 C ATOM 0 H TRP A 35 -13.974 -10.124 2.468 1.00 0.74 H new ATOM 0 HA TRP A 35 -14.009 -13.125 2.594 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.896 -12.697 0.967 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -16.138 -11.815 2.462 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -16.333 -9.256 2.315 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.109 -7.478 0.454 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.425 -12.211 -1.388 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.208 -7.385 -2.283 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -13.894 -11.253 -3.611 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.284 -8.847 -4.064 1.00 2.26 H new ATOM 566 N CYS A 36 -12.269 -11.518 0.502 1.00 0.65 N ATOM 567 CA CYS A 36 -11.382 -11.677 -0.685 1.00 0.67 C ATOM 568 C CYS A 36 -10.692 -13.045 -0.656 1.00 0.84 C ATOM 569 O CYS A 36 -10.357 -13.562 0.391 1.00 1.63 O ATOM 570 CB CYS A 36 -10.348 -10.555 -0.559 1.00 0.58 C ATOM 571 SG CYS A 36 -9.146 -10.677 -1.909 1.00 1.07 S ATOM 0 H CYS A 36 -12.107 -10.676 1.055 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.936 -11.622 -1.622 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.844 -9.585 -0.588 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.838 -10.624 0.402 1.00 0.58 H new ATOM 576 N GLY A 37 -10.467 -13.625 -1.803 1.00 0.96 N ATOM 577 CA GLY A 37 -9.789 -14.949 -1.851 1.00 1.08 C ATOM 578 C GLY A 37 -8.348 -14.748 -2.323 1.00 1.00 C ATOM 579 O GLY A 37 -8.040 -13.790 -3.003 1.00 1.83 O ATOM 0 H GLY A 37 -10.725 -13.237 -2.711 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.802 -15.416 -0.866 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.318 -15.620 -2.528 1.00 1.08 H new ATOM 583 N HIS A 38 -7.459 -15.635 -1.965 1.00 0.89 N ATOM 584 CA HIS A 38 -6.037 -15.477 -2.397 1.00 0.97 C ATOM 585 C HIS A 38 -5.517 -14.094 -1.995 1.00 0.88 C ATOM 586 O HIS A 38 -4.571 -13.585 -2.562 1.00 1.13 O ATOM 587 CB HIS A 38 -6.069 -15.604 -3.917 1.00 1.32 C ATOM 588 CG HIS A 38 -4.734 -16.091 -4.410 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.948 -15.347 -5.277 1.00 2.39 N ATOM 590 CD2 HIS A 38 -4.033 -17.247 -4.165 1.00 2.35 C ATOM 591 CE1 HIS A 38 -2.830 -16.056 -5.518 1.00 2.85 C ATOM 592 NE2 HIS A 38 -2.830 -17.221 -4.866 1.00 2.87 N ATOM 0 H HIS A 38 -7.653 -16.459 -1.395 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.382 -16.216 -1.937 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.854 -16.298 -4.218 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -6.305 -14.640 -4.368 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -4.364 -18.053 -3.526 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -2.029 -15.723 -6.161 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -2.105 -17.938 -4.879 1.00 2.87 H new ATOM 600 N CYS A 39 -6.127 -13.489 -1.018 1.00 0.79 N ATOM 601 CA CYS A 39 -5.674 -12.141 -0.568 1.00 0.88 C ATOM 602 C CYS A 39 -4.617 -12.303 0.523 1.00 0.82 C ATOM 603 O CYS A 39 -3.676 -11.541 0.619 1.00 1.00 O ATOM 604 CB CYS A 39 -6.930 -11.466 -0.010 1.00 1.08 C ATOM 605 SG CYS A 39 -7.406 -10.085 -1.079 1.00 1.00 S ATOM 0 H CYS A 39 -6.924 -13.870 -0.508 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.228 -11.553 -1.370 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.745 -12.187 0.053 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.743 -11.107 1.002 1.00 1.08 H new ATOM 610 N LYS A 40 -4.774 -13.304 1.338 1.00 0.78 N ATOM 611 CA LYS A 40 -3.792 -13.554 2.434 1.00 0.94 C ATOM 612 C LYS A 40 -2.465 -14.074 1.861 1.00 0.84 C ATOM 613 O LYS A 40 -1.462 -14.118 2.544 1.00 0.94 O ATOM 614 CB LYS A 40 -4.444 -14.621 3.318 1.00 1.21 C ATOM 615 CG LYS A 40 -4.848 -15.828 2.463 1.00 1.56 C ATOM 616 CD LYS A 40 -6.373 -15.939 2.424 1.00 2.11 C ATOM 617 CE LYS A 40 -6.836 -16.992 3.435 1.00 2.72 C ATOM 618 NZ LYS A 40 -8.180 -16.531 3.881 1.00 3.29 N ATOM 0 H LYS A 40 -5.547 -13.968 1.294 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.562 -12.645 2.989 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -3.750 -14.933 4.099 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.321 -14.207 3.817 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -4.455 -15.719 1.452 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.417 -16.740 2.876 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -6.824 -14.974 2.656 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.703 -16.213 1.422 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.889 -17.981 2.979 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -6.145 -17.064 4.275 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -8.564 -17.202 4.576 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -8.097 -15.590 4.317 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -8.818 -16.478 3.062 1.00 3.29 H new ATOM 632 N ALA A 41 -2.451 -14.472 0.615 1.00 0.77 N ATOM 633 CA ALA A 41 -1.188 -14.991 0.014 1.00 0.86 C ATOM 634 C ALA A 41 -0.046 -13.991 0.220 1.00 0.75 C ATOM 635 O ALA A 41 1.058 -14.361 0.565 1.00 0.90 O ATOM 636 CB ALA A 41 -1.496 -15.152 -1.475 1.00 0.93 C ATOM 0 H ALA A 41 -3.257 -14.460 -0.010 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.871 -15.928 0.471 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.613 -15.531 -1.990 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.320 -15.854 -1.602 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.774 -14.186 -1.896 1.00 0.93 H new ATOM 642 N LEU A 42 -0.301 -12.729 0.010 1.00 0.65 N ATOM 643 CA LEU A 42 0.776 -11.714 0.194 1.00 0.67 C ATOM 644 C LEU A 42 0.489 -10.855 1.428 1.00 0.63 C ATOM 645 O LEU A 42 0.955 -9.738 1.544 1.00 0.70 O ATOM 646 CB LEU A 42 0.741 -10.863 -1.075 1.00 0.82 C ATOM 647 CG LEU A 42 2.144 -10.325 -1.363 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.895 -11.310 -2.261 1.00 1.24 C ATOM 649 CD2 LEU A 42 2.036 -8.972 -2.069 1.00 1.37 C ATOM 0 H LEU A 42 -1.205 -12.357 -0.280 1.00 0.65 H new ATOM 0 HA LEU A 42 1.753 -12.172 0.349 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.388 -11.459 -1.917 1.00 0.82 H new ATOM 0 HB3 LEU A 42 0.040 -10.037 -0.953 1.00 0.82 H new ATOM 0 HG LEU A 42 2.686 -10.204 -0.425 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.894 -10.926 -2.466 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.972 -12.274 -1.759 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.354 -11.432 -3.199 1.00 1.24 H new ATOM 0 HD21 LEU A 42 3.035 -8.588 -2.274 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.494 -9.093 -3.007 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.502 -8.269 -1.429 1.00 1.37 H new ATOM 661 N ALA A 43 -0.272 -11.371 2.353 1.00 0.71 N ATOM 662 CA ALA A 43 -0.589 -10.591 3.584 1.00 0.73 C ATOM 663 C ALA A 43 0.631 -10.541 4.514 1.00 0.67 C ATOM 664 O ALA A 43 1.068 -9.473 4.895 1.00 0.65 O ATOM 665 CB ALA A 43 -1.739 -11.351 4.246 1.00 0.88 C ATOM 0 H ALA A 43 -0.689 -12.301 2.310 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.856 -9.558 3.361 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.033 -10.840 5.163 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.589 -11.391 3.564 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.416 -12.365 4.483 1.00 0.88 H new ATOM 671 N PRO A 44 1.143 -11.700 4.858 1.00 0.69 N ATOM 672 CA PRO A 44 2.320 -11.763 5.759 1.00 0.70 C ATOM 673 C PRO A 44 3.604 -11.363 5.018 1.00 0.59 C ATOM 674 O PRO A 44 4.665 -11.285 5.604 1.00 0.65 O ATOM 675 CB PRO A 44 2.372 -13.225 6.184 1.00 0.83 C ATOM 676 CG PRO A 44 1.678 -13.977 5.092 1.00 0.84 C ATOM 677 CD PRO A 44 0.683 -13.039 4.458 1.00 0.76 C ATOM 0 HA PRO A 44 2.240 -11.079 6.604 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.401 -13.564 6.303 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.875 -13.374 7.142 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.397 -14.330 4.353 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.174 -14.857 5.492 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.669 -13.148 3.374 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.329 -13.234 4.811 1.00 0.76 H new ATOM 685 N GLU A 45 3.519 -11.095 3.743 1.00 0.53 N ATOM 686 CA GLU A 45 4.733 -10.686 2.986 1.00 0.46 C ATOM 687 C GLU A 45 4.736 -9.169 2.854 1.00 0.41 C ATOM 688 O GLU A 45 5.759 -8.521 2.939 1.00 0.47 O ATOM 689 CB GLU A 45 4.590 -11.351 1.619 1.00 0.48 C ATOM 690 CG GLU A 45 4.497 -12.867 1.796 1.00 0.61 C ATOM 691 CD GLU A 45 3.121 -13.350 1.333 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.157 -13.094 2.036 1.00 1.90 O ATOM 693 OE2 GLU A 45 3.055 -13.968 0.283 1.00 1.83 O ATOM 0 H GLU A 45 2.660 -11.142 3.194 1.00 0.53 H new ATOM 0 HA GLU A 45 5.664 -10.979 3.471 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.700 -10.978 1.113 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.443 -11.099 0.989 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.280 -13.360 1.220 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.655 -13.132 2.841 1.00 0.61 H new ATOM 700 N TYR A 46 3.582 -8.600 2.666 1.00 0.43 N ATOM 701 CA TYR A 46 3.486 -7.125 2.550 1.00 0.48 C ATOM 702 C TYR A 46 3.611 -6.507 3.956 1.00 0.52 C ATOM 703 O TYR A 46 3.945 -5.348 4.106 1.00 0.69 O ATOM 704 CB TYR A 46 2.097 -6.892 1.912 1.00 0.64 C ATOM 705 CG TYR A 46 1.494 -5.580 2.368 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.785 -5.508 3.571 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.647 -4.441 1.574 1.00 1.02 C ATOM 708 CE1 TYR A 46 0.225 -4.292 3.979 1.00 1.39 C ATOM 709 CE2 TYR A 46 1.091 -3.227 1.981 1.00 1.38 C ATOM 710 CZ TYR A 46 0.383 -3.166 3.233 1.00 1.50 C ATOM 711 OH TYR A 46 -0.175 -1.953 3.580 1.00 1.95 O ATOM 0 H TYR A 46 2.695 -9.098 2.587 1.00 0.43 H new ATOM 0 HA TYR A 46 4.269 -6.664 1.948 1.00 0.48 H new ATOM 0 HB2 TYR A 46 2.189 -6.894 0.826 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.430 -7.713 2.177 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.670 -6.389 4.184 1.00 1.03 H new ATOM 0 HD2 TYR A 46 2.195 -4.500 0.645 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.340 -4.247 4.898 1.00 1.39 H new ATOM 0 HE2 TYR A 46 1.191 -2.345 1.365 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.571 -1.536 2.786 1.00 1.95 H new ATOM 721 N ALA A 47 3.346 -7.275 4.982 1.00 0.53 N ATOM 722 CA ALA A 47 3.453 -6.731 6.365 1.00 0.62 C ATOM 723 C ALA A 47 4.917 -6.704 6.807 1.00 0.58 C ATOM 724 O ALA A 47 5.315 -5.899 7.625 1.00 0.68 O ATOM 725 CB ALA A 47 2.647 -7.697 7.233 1.00 0.73 C ATOM 0 H ALA A 47 3.061 -8.252 4.920 1.00 0.53 H new ATOM 0 HA ALA A 47 3.080 -5.710 6.439 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.677 -7.365 8.271 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.613 -7.720 6.888 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.076 -8.696 7.160 1.00 0.73 H new ATOM 731 N LYS A 48 5.723 -7.577 6.268 1.00 0.51 N ATOM 732 CA LYS A 48 7.163 -7.600 6.654 1.00 0.55 C ATOM 733 C LYS A 48 7.946 -6.548 5.860 1.00 0.53 C ATOM 734 O LYS A 48 9.058 -6.201 6.206 1.00 0.65 O ATOM 735 CB LYS A 48 7.644 -9.008 6.305 1.00 0.60 C ATOM 736 CG LYS A 48 7.556 -9.898 7.546 1.00 1.03 C ATOM 737 CD LYS A 48 7.293 -11.344 7.123 1.00 1.41 C ATOM 738 CE LYS A 48 6.327 -11.999 8.113 1.00 1.92 C ATOM 739 NZ LYS A 48 7.153 -12.992 8.854 1.00 2.47 N ATOM 0 H LYS A 48 5.447 -8.275 5.577 1.00 0.51 H new ATOM 0 HA LYS A 48 7.310 -7.369 7.709 1.00 0.55 H new ATOM 0 HB2 LYS A 48 7.035 -9.424 5.502 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.671 -8.973 5.941 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.484 -9.838 8.115 1.00 1.03 H new ATOM 0 HG3 LYS A 48 6.757 -9.549 8.200 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.872 -11.369 6.118 1.00 1.41 H new ATOM 0 HD3 LYS A 48 8.230 -11.900 7.091 1.00 1.41 H new ATOM 0 HE2 LYS A 48 5.894 -11.262 8.789 1.00 1.92 H new ATOM 0 HE3 LYS A 48 5.498 -12.482 7.596 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.561 -13.484 9.553 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 7.546 -13.685 8.185 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.930 -12.502 9.342 1.00 2.47 H new ATOM 753 N ALA A 49 7.380 -6.037 4.800 1.00 0.47 N ATOM 754 CA ALA A 49 8.098 -5.009 3.993 1.00 0.50 C ATOM 755 C ALA A 49 8.056 -3.656 4.707 1.00 0.53 C ATOM 756 O ALA A 49 8.986 -2.877 4.640 1.00 0.65 O ATOM 757 CB ALA A 49 7.341 -4.943 2.667 1.00 0.55 C ATOM 0 H ALA A 49 6.452 -6.287 4.458 1.00 0.47 H new ATOM 0 HA ALA A 49 9.149 -5.258 3.846 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.811 -4.206 2.016 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.366 -5.920 2.185 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.306 -4.656 2.853 1.00 0.55 H new ATOM 763 N ALA A 50 6.984 -3.372 5.393 1.00 0.54 N ATOM 764 CA ALA A 50 6.884 -2.072 6.116 1.00 0.65 C ATOM 765 C ALA A 50 7.869 -2.053 7.286 1.00 0.65 C ATOM 766 O ALA A 50 8.364 -1.016 7.679 1.00 0.77 O ATOM 767 CB ALA A 50 5.444 -2.009 6.627 1.00 0.76 C ATOM 0 H ALA A 50 6.173 -3.983 5.485 1.00 0.54 H new ATOM 0 HA ALA A 50 7.124 -1.222 5.478 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.292 -1.077 7.172 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.756 -2.052 5.783 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.256 -2.853 7.291 1.00 0.76 H new ATOM 773 N GLY A 51 8.162 -3.198 7.839 1.00 0.59 N ATOM 774 CA GLY A 51 9.120 -3.253 8.978 1.00 0.69 C ATOM 775 C GLY A 51 10.520 -2.904 8.469 1.00 0.78 C ATOM 776 O GLY A 51 11.370 -2.461 9.216 1.00 0.90 O ATOM 0 H GLY A 51 7.779 -4.098 7.551 1.00 0.59 H new ATOM 0 HA2 GLY A 51 8.818 -2.554 9.758 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.119 -4.248 9.423 1.00 0.69 H new ATOM 780 N LYS A 52 10.766 -3.097 7.201 1.00 0.80 N ATOM 781 CA LYS A 52 12.110 -2.770 6.646 1.00 1.01 C ATOM 782 C LYS A 52 12.436 -1.301 6.920 1.00 1.12 C ATOM 783 O LYS A 52 13.504 -0.969 7.392 1.00 1.31 O ATOM 784 CB LYS A 52 11.996 -3.028 5.143 1.00 1.15 C ATOM 785 CG LYS A 52 11.829 -4.529 4.894 1.00 1.49 C ATOM 786 CD LYS A 52 13.177 -5.135 4.500 1.00 1.97 C ATOM 787 CE LYS A 52 13.127 -6.655 4.678 1.00 2.64 C ATOM 788 NZ LYS A 52 14.287 -6.979 5.554 1.00 3.08 N ATOM 0 H LYS A 52 10.095 -3.466 6.527 1.00 0.80 H new ATOM 0 HA LYS A 52 12.905 -3.366 7.095 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.145 -2.484 4.733 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.886 -2.660 4.632 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.447 -5.017 5.791 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.098 -4.698 4.104 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.410 -4.887 3.464 1.00 1.97 H new ATOM 0 HD3 LYS A 52 13.971 -4.712 5.115 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.188 -6.968 5.135 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.202 -7.167 3.719 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.320 -8.005 5.722 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.167 -6.676 5.091 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 14.185 -6.483 6.462 1.00 3.08 H new ATOM 802 N LEU A 53 11.513 -0.420 6.642 1.00 1.12 N ATOM 803 CA LEU A 53 11.760 1.027 6.902 1.00 1.33 C ATOM 804 C LEU A 53 12.146 1.211 8.378 1.00 1.30 C ATOM 805 O LEU A 53 13.087 1.908 8.704 1.00 1.50 O ATOM 806 CB LEU A 53 10.421 1.712 6.550 1.00 1.55 C ATOM 807 CG LEU A 53 10.237 3.021 7.331 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.688 4.099 6.395 1.00 1.82 C ATOM 809 CD2 LEU A 53 9.253 2.791 8.480 1.00 2.07 C ATOM 0 H LEU A 53 10.599 -0.640 6.246 1.00 1.12 H new ATOM 0 HA LEU A 53 12.576 1.453 6.319 1.00 1.33 H new ATOM 0 HB2 LEU A 53 10.386 1.917 5.480 1.00 1.55 H new ATOM 0 HB3 LEU A 53 9.596 1.036 6.772 1.00 1.55 H new ATOM 0 HG LEU A 53 11.197 3.345 7.733 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.557 5.029 6.948 1.00 1.82 H new ATOM 0 HD12 LEU A 53 10.388 4.260 5.575 1.00 1.82 H new ATOM 0 HD13 LEU A 53 8.727 3.777 5.993 1.00 1.82 H new ATOM 0 HD21 LEU A 53 9.120 3.719 9.037 1.00 2.07 H new ATOM 0 HD22 LEU A 53 8.293 2.469 8.078 1.00 2.07 H new ATOM 0 HD23 LEU A 53 9.644 2.021 9.146 1.00 2.07 H new ATOM 821 N LYS A 54 11.426 0.585 9.261 1.00 1.20 N ATOM 822 CA LYS A 54 11.738 0.705 10.718 1.00 1.35 C ATOM 823 C LYS A 54 13.237 0.491 10.967 1.00 1.40 C ATOM 824 O LYS A 54 13.794 0.980 11.931 1.00 1.67 O ATOM 825 CB LYS A 54 10.925 -0.404 11.384 1.00 1.46 C ATOM 826 CG LYS A 54 10.649 -0.030 12.842 1.00 1.91 C ATOM 827 CD LYS A 54 9.275 -0.562 13.253 1.00 2.50 C ATOM 828 CE LYS A 54 8.321 0.612 13.480 1.00 2.87 C ATOM 829 NZ LYS A 54 7.544 0.725 12.214 1.00 3.88 N ATOM 0 H LYS A 54 10.628 -0.010 9.039 1.00 1.20 H new ATOM 0 HA LYS A 54 11.492 1.691 11.111 1.00 1.35 H new ATOM 0 HB2 LYS A 54 9.986 -0.551 10.851 1.00 1.46 H new ATOM 0 HB3 LYS A 54 11.469 -1.347 11.336 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.421 -0.448 13.488 1.00 1.91 H new ATOM 0 HG3 LYS A 54 10.683 1.053 12.964 1.00 1.91 H new ATOM 0 HD2 LYS A 54 8.881 -1.220 12.478 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.360 -1.156 14.163 1.00 2.50 H new ATOM 0 HE2 LYS A 54 7.665 0.429 14.331 1.00 2.87 H new ATOM 0 HE3 LYS A 54 8.868 1.531 13.691 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 6.866 1.510 12.291 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 8.194 0.906 11.423 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 7.028 -0.162 12.043 1.00 3.88 H new ATOM 843 N ALA A 55 13.893 -0.237 10.103 1.00 1.63 N ATOM 844 CA ALA A 55 15.352 -0.482 10.289 1.00 2.20 C ATOM 845 C ALA A 55 16.157 0.152 9.146 1.00 2.03 C ATOM 846 O ALA A 55 17.366 0.252 9.213 1.00 2.38 O ATOM 847 CB ALA A 55 15.501 -2.003 10.269 1.00 2.78 C ATOM 0 H ALA A 55 13.482 -0.672 9.277 1.00 1.63 H new ATOM 0 HA ALA A 55 15.726 -0.044 11.214 1.00 2.20 H new ATOM 0 HB1 ALA A 55 16.550 -2.268 10.400 1.00 2.78 H new ATOM 0 HB2 ALA A 55 14.913 -2.437 11.078 1.00 2.78 H new ATOM 0 HB3 ALA A 55 15.146 -2.391 9.314 1.00 2.78 H new ATOM 853 N GLU A 56 15.503 0.578 8.098 1.00 1.67 N ATOM 854 CA GLU A 56 16.241 1.201 6.961 1.00 1.70 C ATOM 855 C GLU A 56 15.864 2.675 6.825 1.00 1.53 C ATOM 856 O GLU A 56 16.695 3.519 6.560 1.00 1.98 O ATOM 857 CB GLU A 56 15.795 0.418 5.726 1.00 1.99 C ATOM 858 CG GLU A 56 16.327 -1.014 5.811 1.00 2.69 C ATOM 859 CD GLU A 56 17.671 -1.112 5.082 1.00 3.21 C ATOM 860 OE1 GLU A 56 18.213 -0.076 4.728 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.139 -2.223 4.892 1.00 3.63 O ATOM 0 H GLU A 56 14.491 0.522 7.980 1.00 1.67 H new ATOM 0 HA GLU A 56 17.321 1.164 7.102 1.00 1.70 H new ATOM 0 HB2 GLU A 56 14.707 0.410 5.661 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.165 0.902 4.822 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.447 -1.306 6.854 1.00 2.69 H new ATOM 0 HG3 GLU A 56 15.611 -1.705 5.367 1.00 2.69 H new ATOM 868 N GLY A 57 14.615 2.989 7.005 1.00 1.58 N ATOM 869 CA GLY A 57 14.174 4.405 6.886 1.00 2.25 C ATOM 870 C GLY A 57 14.318 4.855 5.434 1.00 1.97 C ATOM 871 O GLY A 57 14.879 5.896 5.150 1.00 2.50 O ATOM 0 H GLY A 57 13.876 2.323 7.231 1.00 1.58 H new ATOM 0 HA2 GLY A 57 13.138 4.504 7.209 1.00 2.25 H new ATOM 0 HA3 GLY A 57 14.773 5.041 7.538 1.00 2.25 H new ATOM 875 N SER A 58 13.824 4.079 4.506 1.00 1.30 N ATOM 876 CA SER A 58 13.945 4.473 3.071 1.00 1.23 C ATOM 877 C SER A 58 12.738 5.300 2.629 1.00 1.03 C ATOM 878 O SER A 58 12.169 5.075 1.583 1.00 1.27 O ATOM 879 CB SER A 58 14.019 3.157 2.294 1.00 1.53 C ATOM 880 OG SER A 58 15.372 2.875 1.966 1.00 2.13 O ATOM 0 H SER A 58 13.345 3.195 4.677 1.00 1.30 H new ATOM 0 HA SER A 58 14.823 5.095 2.896 1.00 1.23 H new ATOM 0 HB2 SER A 58 13.602 2.346 2.891 1.00 1.53 H new ATOM 0 HB3 SER A 58 13.420 3.225 1.386 1.00 1.53 H new ATOM 0 HG SER A 58 15.419 2.031 1.470 1.00 2.13 H new ATOM 886 N GLU A 59 12.382 6.267 3.427 1.00 0.85 N ATOM 887 CA GLU A 59 11.228 7.183 3.116 1.00 0.87 C ATOM 888 C GLU A 59 10.087 6.463 2.387 1.00 0.76 C ATOM 889 O GLU A 59 9.436 7.024 1.527 1.00 1.06 O ATOM 890 CB GLU A 59 11.824 8.272 2.224 1.00 1.10 C ATOM 891 CG GLU A 59 12.334 7.648 0.924 1.00 1.05 C ATOM 892 CD GLU A 59 12.525 8.741 -0.129 1.00 1.58 C ATOM 893 OE1 GLU A 59 13.572 9.366 -0.119 1.00 2.22 O ATOM 894 OE2 GLU A 59 11.621 8.935 -0.925 1.00 2.13 O ATOM 0 H GLU A 59 12.851 6.473 4.309 1.00 0.85 H new ATOM 0 HA GLU A 59 10.785 7.575 4.031 1.00 0.87 H new ATOM 0 HB2 GLU A 59 11.071 9.029 2.005 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.640 8.775 2.743 1.00 1.10 H new ATOM 0 HG2 GLU A 59 13.277 7.132 1.102 1.00 1.05 H new ATOM 0 HG3 GLU A 59 11.625 6.902 0.564 1.00 1.05 H new ATOM 901 N ILE A 60 9.837 5.231 2.720 1.00 0.59 N ATOM 902 CA ILE A 60 8.734 4.484 2.043 1.00 0.57 C ATOM 903 C ILE A 60 7.759 3.924 3.081 1.00 0.52 C ATOM 904 O ILE A 60 8.106 3.726 4.228 1.00 0.63 O ATOM 905 CB ILE A 60 9.422 3.351 1.278 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.332 2.562 2.232 1.00 1.46 C ATOM 907 CG2 ILE A 60 10.252 3.945 0.138 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.075 1.477 1.460 1.00 1.60 C ATOM 0 H ILE A 60 10.346 4.705 3.431 1.00 0.59 H new ATOM 0 HA ILE A 60 8.154 5.123 1.377 1.00 0.57 H new ATOM 0 HB ILE A 60 8.671 2.677 0.866 1.00 0.68 H new ATOM 0 HG12 ILE A 60 11.045 3.235 2.708 1.00 1.46 H new ATOM 0 HG13 ILE A 60 9.737 2.113 3.027 1.00 1.46 H new ATOM 0 HG21 ILE A 60 10.744 3.142 -0.410 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.599 4.498 -0.537 1.00 1.34 H new ATOM 0 HG23 ILE A 60 11.004 4.619 0.548 1.00 1.34 H new ATOM 0 HD11 ILE A 60 11.719 0.921 2.142 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.355 0.797 1.005 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.683 1.936 0.681 1.00 1.60 H new ATOM 920 N ARG A 61 6.536 3.672 2.693 1.00 0.45 N ATOM 921 CA ARG A 61 5.547 3.133 3.673 1.00 0.45 C ATOM 922 C ARG A 61 4.442 2.347 2.966 1.00 0.41 C ATOM 923 O ARG A 61 4.083 2.626 1.840 1.00 0.55 O ATOM 924 CB ARG A 61 4.965 4.368 4.361 1.00 0.51 C ATOM 925 CG ARG A 61 5.583 4.518 5.751 1.00 0.75 C ATOM 926 CD ARG A 61 4.654 5.358 6.633 1.00 0.97 C ATOM 927 NE ARG A 61 5.458 5.677 7.845 1.00 1.30 N ATOM 928 CZ ARG A 61 4.948 5.496 9.033 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.496 4.321 9.376 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.890 6.490 9.877 1.00 2.21 N ATOM 0 H ARG A 61 6.181 3.815 1.747 1.00 0.45 H new ATOM 0 HA ARG A 61 6.011 2.443 4.378 1.00 0.45 H new ATOM 0 HB2 ARG A 61 5.166 5.258 3.764 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.882 4.276 4.441 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.739 3.537 6.199 1.00 0.75 H new ATOM 0 HG3 ARG A 61 6.561 4.994 5.677 1.00 0.75 H new ATOM 0 HD2 ARG A 61 4.337 6.266 6.120 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.751 4.806 6.893 1.00 0.97 H new ATOM 0 HE ARG A 61 6.407 6.037 7.747 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.541 3.545 8.716 1.00 2.19 H new ATOM 0 HH12 ARG A 61 4.097 4.179 10.304 1.00 2.19 H new ATOM 0 HH21 ARG A 61 5.243 7.408 9.608 1.00 2.21 H new ATOM 0 HH22 ARG A 61 4.491 6.348 10.805 1.00 2.21 H new ATOM 944 N LEU A 62 3.896 1.364 3.633 1.00 0.35 N ATOM 945 CA LEU A 62 2.806 0.553 3.021 1.00 0.36 C ATOM 946 C LEU A 62 1.474 0.872 3.707 1.00 0.32 C ATOM 947 O LEU A 62 1.443 1.392 4.806 1.00 0.38 O ATOM 948 CB LEU A 62 3.205 -0.901 3.274 1.00 0.48 C ATOM 949 CG LEU A 62 4.169 -1.363 2.178 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.575 -0.842 2.481 1.00 1.22 C ATOM 951 CD2 LEU A 62 4.190 -2.892 2.131 1.00 1.59 C ATOM 0 H LEU A 62 4.160 1.088 4.579 1.00 0.35 H new ATOM 0 HA LEU A 62 2.678 0.759 1.958 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.677 -0.995 4.252 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.319 -1.536 3.285 1.00 0.48 H new ATOM 0 HG LEU A 62 3.838 -0.974 1.215 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.261 -1.171 1.701 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.560 0.247 2.515 1.00 1.22 H new ATOM 0 HD13 LEU A 62 5.907 -1.231 3.444 1.00 1.22 H new ATOM 0 HD21 LEU A 62 4.876 -3.223 1.351 1.00 1.59 H new ATOM 0 HD22 LEU A 62 4.521 -3.281 3.094 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.188 -3.263 1.914 1.00 1.59 H new ATOM 963 N ALA A 63 0.373 0.571 3.075 1.00 0.30 N ATOM 964 CA ALA A 63 -0.944 0.871 3.708 1.00 0.32 C ATOM 965 C ALA A 63 -2.017 -0.111 3.222 1.00 0.31 C ATOM 966 O ALA A 63 -1.810 -0.861 2.287 1.00 0.37 O ATOM 967 CB ALA A 63 -1.279 2.297 3.275 1.00 0.37 C ATOM 0 H ALA A 63 0.327 0.134 2.155 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.906 0.773 4.793 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.238 2.591 3.702 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.502 2.976 3.626 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.337 2.343 2.188 1.00 0.37 H new ATOM 973 N LYS A 64 -3.158 -0.122 3.856 1.00 0.30 N ATOM 974 CA LYS A 64 -4.230 -1.071 3.434 1.00 0.32 C ATOM 975 C LYS A 64 -5.614 -0.542 3.823 1.00 0.32 C ATOM 976 O LYS A 64 -5.765 0.193 4.779 1.00 0.40 O ATOM 977 CB LYS A 64 -3.924 -2.360 4.200 1.00 0.38 C ATOM 978 CG LYS A 64 -3.838 -3.532 3.221 1.00 1.39 C ATOM 979 CD LYS A 64 -4.115 -4.840 3.965 1.00 1.60 C ATOM 980 CE LYS A 64 -2.801 -5.411 4.502 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.188 -6.673 5.194 1.00 2.26 N ATOM 0 H LYS A 64 -3.394 0.481 4.644 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.245 -1.216 2.354 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -2.985 -2.258 4.743 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.702 -2.548 4.940 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.560 -3.400 2.415 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.850 -3.565 2.762 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -4.809 -4.663 4.786 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.589 -5.558 3.296 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.094 -5.603 3.695 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.319 -4.715 5.189 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -2.340 -7.126 5.591 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.856 -6.457 5.961 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -3.638 -7.318 4.514 1.00 2.26 H new ATOM 995 N VAL A 65 -6.626 -0.923 3.092 1.00 0.30 N ATOM 996 CA VAL A 65 -8.007 -0.461 3.419 1.00 0.32 C ATOM 997 C VAL A 65 -9.000 -1.607 3.213 1.00 0.31 C ATOM 998 O VAL A 65 -8.804 -2.470 2.380 1.00 0.36 O ATOM 999 CB VAL A 65 -8.304 0.684 2.440 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -8.044 0.214 1.010 1.00 0.70 C ATOM 1001 CG2 VAL A 65 -9.771 1.108 2.570 1.00 0.45 C ATOM 0 H VAL A 65 -6.557 -1.536 2.280 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.094 -0.134 4.455 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.657 1.530 2.673 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -8.255 1.027 0.316 1.00 0.70 H new ATOM 0 HG12 VAL A 65 -7.001 -0.087 0.910 1.00 0.70 H new ATOM 0 HG13 VAL A 65 -8.690 -0.634 0.783 1.00 0.70 H new ATOM 0 HG21 VAL A 65 -9.978 1.921 1.874 1.00 0.45 H new ATOM 0 HG22 VAL A 65 -10.416 0.260 2.340 1.00 0.45 H new ATOM 0 HG23 VAL A 65 -9.963 1.445 3.589 1.00 0.45 H new ATOM 1011 N ASP A 66 -10.068 -1.617 3.959 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.074 -2.703 3.796 1.00 0.39 C ATOM 1013 C ASP A 66 -12.166 -2.254 2.822 1.00 0.40 C ATOM 1014 O ASP A 66 -13.104 -1.575 3.192 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.652 -2.926 5.194 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.904 -4.073 5.879 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -9.785 -4.347 5.477 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.463 -4.657 6.792 1.00 1.30 O ATOM 0 H ASP A 66 -10.288 -0.922 4.673 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.640 -3.618 3.392 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.563 -2.015 5.786 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.715 -3.160 5.127 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.047 -2.626 1.576 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.072 -2.220 0.567 1.00 0.46 C ATOM 1025 C ALA A 67 -14.479 -2.567 1.062 1.00 0.51 C ATOM 1026 O ALA A 67 -15.456 -1.979 0.641 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.731 -3.023 -0.688 1.00 0.51 C ATOM 0 H ALA A 67 -11.283 -3.195 1.211 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.062 -1.146 0.381 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.441 -2.781 -1.479 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.722 -2.773 -1.017 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.787 -4.088 -0.465 1.00 0.51 H new ATOM 1033 N THR A 68 -14.590 -3.513 1.953 1.00 0.53 N ATOM 1034 CA THR A 68 -15.936 -3.893 2.473 1.00 0.62 C ATOM 1035 C THR A 68 -16.442 -2.861 3.492 1.00 0.64 C ATOM 1036 O THR A 68 -17.519 -2.997 4.037 1.00 0.86 O ATOM 1037 CB THR A 68 -15.729 -5.249 3.149 1.00 0.66 C ATOM 1038 OG1 THR A 68 -16.950 -5.674 3.738 1.00 1.29 O ATOM 1039 CG2 THR A 68 -14.654 -5.124 4.231 1.00 1.35 C ATOM 0 H THR A 68 -13.809 -4.039 2.344 1.00 0.53 H new ATOM 0 HA THR A 68 -16.680 -3.935 1.678 1.00 0.62 H new ATOM 0 HB THR A 68 -15.410 -5.980 2.406 1.00 0.66 H new ATOM 0 HG1 THR A 68 -17.504 -4.892 3.943 1.00 1.29 H new ATOM 0 HG21 THR A 68 -14.508 -6.091 4.712 1.00 1.35 H new ATOM 0 HG22 THR A 68 -13.718 -4.799 3.778 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.970 -4.393 4.975 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.682 -1.829 3.754 1.00 0.57 N ATOM 1048 CA GLU A 69 -16.134 -0.800 4.731 1.00 0.61 C ATOM 1049 C GLU A 69 -15.732 0.582 4.223 1.00 0.57 C ATOM 1050 O GLU A 69 -16.484 1.533 4.298 1.00 0.66 O ATOM 1051 CB GLU A 69 -15.394 -1.135 6.027 1.00 0.63 C ATOM 1052 CG GLU A 69 -16.390 -1.193 7.186 1.00 0.83 C ATOM 1053 CD GLU A 69 -16.466 0.178 7.860 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -16.781 1.137 7.175 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -16.211 0.247 9.051 1.00 2.10 O ATOM 0 H GLU A 69 -14.769 -1.657 3.333 1.00 0.57 H new ATOM 0 HA GLU A 69 -17.214 -0.795 4.877 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.880 -2.091 5.928 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -14.631 -0.383 6.227 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -17.374 -1.485 6.820 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -16.081 -1.949 7.908 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.544 0.688 3.702 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.059 1.987 3.174 1.00 0.57 C ATOM 1064 C GLU A 70 -14.364 2.096 1.677 1.00 0.72 C ATOM 1065 O GLU A 70 -13.606 2.671 0.920 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.554 1.933 3.414 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.254 2.371 4.849 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.511 1.250 5.580 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -12.165 0.310 5.999 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -10.303 1.351 5.711 1.00 1.89 O ATOM 0 H GLU A 70 -13.880 -0.082 3.619 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.531 2.847 3.649 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -12.183 0.922 3.245 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.038 2.584 2.708 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.651 3.279 4.845 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.182 2.607 5.370 1.00 1.05 H new ATOM 1077 N SER A 71 -15.464 1.544 1.244 1.00 0.55 N ATOM 1078 CA SER A 71 -15.817 1.609 -0.204 1.00 0.66 C ATOM 1079 C SER A 71 -15.968 3.064 -0.660 1.00 0.70 C ATOM 1080 O SER A 71 -15.927 3.360 -1.839 1.00 0.94 O ATOM 1081 CB SER A 71 -17.151 0.873 -0.317 1.00 0.79 C ATOM 1082 OG SER A 71 -17.154 -0.232 0.577 1.00 1.48 O ATOM 0 H SER A 71 -16.136 1.049 1.831 1.00 0.55 H new ATOM 0 HA SER A 71 -15.046 1.164 -0.833 1.00 0.66 H new ATOM 0 HB2 SER A 71 -17.973 1.548 -0.081 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.304 0.529 -1.340 1.00 0.79 H new ATOM 0 HG SER A 71 -16.545 -0.924 0.244 1.00 1.48 H new ATOM 1088 N ASP A 72 -16.144 3.973 0.259 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.300 5.404 -0.130 1.00 0.71 C ATOM 1090 C ASP A 72 -15.126 5.851 -1.007 1.00 0.68 C ATOM 1091 O ASP A 72 -15.227 6.806 -1.751 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.308 6.177 1.190 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.585 7.016 1.284 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.645 8.042 0.628 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.479 6.617 2.012 1.00 1.83 O ATOM 0 H ASP A 72 -16.187 3.788 1.261 1.00 0.67 H new ATOM 0 HA ASP A 72 -17.208 5.575 -0.708 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.253 5.484 2.030 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.431 6.822 1.251 1.00 0.78 H new ATOM 1100 N LEU A 73 -14.017 5.167 -0.931 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.847 5.558 -1.768 1.00 0.68 C ATOM 1102 C LEU A 73 -12.636 4.535 -2.884 1.00 0.60 C ATOM 1103 O LEU A 73 -12.254 4.871 -3.986 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.655 5.565 -0.811 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.914 6.565 0.315 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -12.339 5.813 1.578 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.636 7.358 0.598 1.00 0.97 C ATOM 0 H LEU A 73 -13.871 4.357 -0.328 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.986 6.527 -2.246 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.500 4.568 -0.398 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.745 5.833 -1.348 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.707 7.250 0.016 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.524 6.526 2.381 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -13.250 5.249 1.377 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -11.546 5.127 1.877 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.821 8.071 1.401 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.842 6.674 0.896 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.334 7.895 -0.301 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.889 3.289 -2.604 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.711 2.241 -3.648 1.00 0.56 C ATOM 1121 C ALA A 74 -13.691 2.483 -4.796 1.00 0.59 C ATOM 1122 O ALA A 74 -13.321 2.479 -5.953 1.00 0.65 O ATOM 1123 CB ALA A 74 -13.024 0.924 -2.941 1.00 0.60 C ATOM 0 H ALA A 74 -13.211 2.949 -1.698 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.709 2.242 -4.076 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.915 0.099 -3.645 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.334 0.785 -2.109 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -14.047 0.947 -2.564 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.940 2.706 -4.485 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.941 2.960 -5.562 1.00 0.76 C ATOM 1131 C GLN A 75 -15.455 4.104 -6.454 1.00 0.78 C ATOM 1132 O GLN A 75 -15.682 4.115 -7.648 1.00 0.86 O ATOM 1133 CB GLN A 75 -17.222 3.359 -4.826 1.00 0.87 C ATOM 1134 CG GLN A 75 -18.423 2.674 -5.481 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.603 2.675 -4.507 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.446 2.994 -3.345 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.786 2.328 -4.935 1.00 2.40 N ATOM 0 H GLN A 75 -15.310 2.723 -3.535 1.00 0.64 H new ATOM 0 HA GLN A 75 -16.098 2.093 -6.203 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -17.155 3.073 -3.776 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.348 4.441 -4.854 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.695 3.193 -6.400 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -18.166 1.651 -5.757 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.917 2.060 -5.910 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -21.579 2.324 -4.294 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.780 5.064 -5.882 1.00 0.76 N ATOM 1147 CA GLN A 76 -14.272 6.206 -6.694 1.00 0.84 C ATOM 1148 C GLN A 76 -13.382 5.695 -7.827 1.00 0.83 C ATOM 1149 O GLN A 76 -13.543 6.062 -8.974 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.459 7.055 -5.719 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.600 8.531 -6.092 1.00 1.14 C ATOM 1152 CD GLN A 76 -15.034 8.991 -5.823 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -15.916 8.771 -6.628 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -15.305 9.626 -4.715 1.00 1.97 N ATOM 0 H GLN A 76 -14.558 5.107 -4.887 1.00 0.76 H new ATOM 0 HA GLN A 76 -15.080 6.774 -7.155 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -13.807 6.891 -4.699 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.410 6.759 -5.749 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -12.899 9.132 -5.512 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.351 8.677 -7.143 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -14.564 9.811 -4.039 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -16.258 9.937 -4.526 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.443 4.848 -7.513 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.542 4.311 -8.570 1.00 0.81 C ATOM 1165 C TYR A 77 -12.228 3.158 -9.301 1.00 0.83 C ATOM 1166 O TYR A 77 -12.117 3.013 -10.502 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.303 3.814 -7.824 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.377 4.975 -7.555 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -9.680 5.893 -6.544 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -8.214 5.135 -8.321 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.821 6.971 -6.295 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -7.356 6.212 -8.072 1.00 1.56 C ATOM 1173 CZ TYR A 77 -7.657 7.127 -7.056 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.814 8.193 -6.816 1.00 1.22 O ATOM 0 H TYR A 77 -12.260 4.504 -6.570 1.00 0.74 H new ATOM 0 HA TYR A 77 -11.288 5.060 -9.320 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.595 3.343 -6.885 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.790 3.055 -8.415 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -10.577 5.771 -5.955 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -7.980 4.428 -9.103 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -9.057 7.681 -5.516 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -6.461 6.337 -8.664 1.00 1.56 H new ATOM 0 HH TYR A 77 -6.867 8.446 -5.871 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.935 2.336 -8.580 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.628 1.187 -9.222 1.00 0.87 C ATOM 1186 C GLY A 78 -13.221 -0.095 -8.503 1.00 0.88 C ATOM 1187 O GLY A 78 -14.047 -0.814 -7.973 1.00 1.52 O ATOM 0 H GLY A 78 -13.063 2.411 -7.571 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.708 1.322 -9.171 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.363 1.128 -10.278 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.948 -0.380 -8.467 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.474 -1.609 -7.768 1.00 0.79 C ATOM 1193 C VAL A 79 -12.301 -2.830 -8.194 1.00 1.13 C ATOM 1194 O VAL A 79 -13.277 -3.180 -7.562 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.686 -1.303 -6.286 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -11.327 -2.531 -5.453 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -10.792 -0.130 -5.878 1.00 0.72 C ATOM 0 H VAL A 79 -11.214 0.186 -8.892 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.436 -1.848 -8.001 1.00 0.79 H new ATOM 0 HB VAL A 79 -12.731 -1.043 -6.114 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.479 -2.311 -4.396 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.963 -3.367 -5.745 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -10.283 -2.793 -5.623 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.941 0.091 -4.821 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -9.748 -0.391 -6.050 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -11.049 0.747 -6.472 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.919 -3.476 -9.263 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.685 -4.667 -9.729 1.00 1.72 C ATOM 1209 C ARG A 80 -11.795 -5.914 -9.719 1.00 1.38 C ATOM 1210 O ARG A 80 -11.972 -6.820 -10.509 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.109 -4.325 -11.157 1.00 2.38 C ATOM 1212 CG ARG A 80 -14.441 -3.573 -11.127 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.581 -4.561 -10.864 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.691 -3.730 -10.320 1.00 4.06 N ATOM 1215 CZ ARG A 80 -17.856 -4.269 -10.085 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -18.458 -4.955 -11.019 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -18.421 -4.122 -8.917 1.00 5.09 N ATOM 0 H ARG A 80 -11.110 -3.230 -9.833 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.538 -4.885 -9.087 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -12.345 -3.714 -11.638 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.207 -5.236 -11.747 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -14.422 -2.809 -10.350 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.602 -3.060 -12.075 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.881 -5.071 -11.780 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -15.280 -5.332 -10.154 1.00 3.49 H new ATOM 0 HE ARG A 80 -16.540 -2.739 -10.131 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -18.018 -5.069 -11.932 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -19.369 -5.376 -10.836 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -17.952 -3.585 -8.187 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -19.332 -4.544 -8.734 1.00 5.09 H new ATOM 1231 N GLY A 81 -10.840 -5.968 -8.832 1.00 0.87 N ATOM 1232 CA GLY A 81 -9.944 -7.157 -8.776 1.00 0.81 C ATOM 1233 C GLY A 81 -9.169 -7.153 -7.457 1.00 0.74 C ATOM 1234 O GLY A 81 -8.129 -6.534 -7.340 1.00 1.17 O ATOM 0 H GLY A 81 -10.642 -5.241 -8.144 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -10.531 -8.072 -8.862 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -9.251 -7.143 -9.617 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.665 -7.838 -6.464 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.953 -7.872 -5.153 1.00 0.52 C ATOM 1240 C TYR A 82 -7.909 -9.006 -5.148 1.00 0.54 C ATOM 1241 O TYR A 82 -8.156 -10.053 -5.713 1.00 0.61 O ATOM 1242 CB TYR A 82 -10.044 -8.154 -4.118 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.114 -7.094 -4.206 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -12.187 -7.251 -5.091 1.00 0.97 C ATOM 1245 CD2 TYR A 82 -11.034 -5.953 -3.399 1.00 0.64 C ATOM 1246 CE1 TYR A 82 -13.180 -6.267 -5.170 1.00 1.04 C ATOM 1247 CE2 TYR A 82 -12.026 -4.970 -3.477 1.00 0.68 C ATOM 1248 CZ TYR A 82 -13.099 -5.126 -4.362 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.078 -4.157 -4.437 1.00 0.85 O ATOM 0 H TYR A 82 -10.531 -8.375 -6.502 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.422 -6.943 -4.947 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.478 -9.138 -4.292 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.614 -8.168 -3.117 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -12.249 -8.132 -5.713 1.00 0.97 H new ATOM 0 HD2 TYR A 82 -10.206 -5.832 -2.716 1.00 0.64 H new ATOM 0 HE1 TYR A 82 -14.008 -6.388 -5.853 1.00 1.04 H new ATOM 0 HE2 TYR A 82 -11.964 -4.090 -2.854 1.00 0.68 H new ATOM 0 HH TYR A 82 -13.871 -3.433 -3.810 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.768 -8.781 -4.517 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.464 -7.502 -3.827 1.00 0.51 C ATOM 1261 C PRO A 83 -5.888 -6.485 -4.818 1.00 0.51 C ATOM 1262 O PRO A 83 -5.019 -6.799 -5.606 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.416 -7.895 -2.796 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.752 -9.126 -3.341 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.655 -9.727 -4.395 1.00 0.64 C ATOM 0 HA PRO A 83 -7.343 -7.036 -3.383 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.693 -7.093 -2.648 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.875 -8.094 -1.827 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.782 -8.875 -3.770 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.571 -9.845 -2.542 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.131 -9.846 -5.343 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.006 -10.715 -4.098 1.00 0.64 H new ATOM 1273 N THR A 84 -6.358 -5.268 -4.780 1.00 0.45 N ATOM 1274 CA THR A 84 -5.825 -4.237 -5.719 1.00 0.45 C ATOM 1275 C THR A 84 -4.802 -3.355 -4.998 1.00 0.43 C ATOM 1276 O THR A 84 -5.153 -2.495 -4.214 1.00 0.52 O ATOM 1277 CB THR A 84 -7.044 -3.416 -6.143 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.134 -4.289 -6.403 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.711 -2.620 -7.406 1.00 0.56 C ATOM 0 H THR A 84 -7.085 -4.943 -4.143 1.00 0.45 H new ATOM 0 HA THR A 84 -5.318 -4.678 -6.577 1.00 0.45 H new ATOM 0 HB THR A 84 -7.314 -2.726 -5.343 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.877 -4.937 -7.092 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.580 -2.035 -7.707 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.875 -1.950 -7.204 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.440 -3.307 -8.208 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.537 -3.565 -5.251 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.493 -2.743 -4.572 1.00 0.41 C ATOM 1289 C ILE A 85 -1.992 -1.631 -5.502 1.00 0.41 C ATOM 1290 O ILE A 85 -1.328 -1.884 -6.487 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.361 -3.725 -4.253 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.845 -4.738 -3.215 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.157 -2.964 -3.689 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.489 -5.929 -3.927 1.00 1.27 C ATOM 0 H ILE A 85 -3.182 -4.269 -5.898 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.877 -2.253 -3.677 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.068 -4.242 -5.166 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.009 -5.075 -2.603 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.564 -4.270 -2.542 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.645 -3.667 -3.464 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.192 -2.239 -4.424 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.450 -2.444 -2.777 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.834 -6.652 -3.188 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.336 -5.584 -4.520 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.756 -6.401 -4.581 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.292 -0.400 -5.186 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.815 0.726 -6.041 1.00 0.40 C ATOM 1308 C LYS A 86 -0.639 1.422 -5.356 1.00 0.38 C ATOM 1309 O LYS A 86 -0.382 1.215 -4.188 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.000 1.686 -6.163 1.00 0.48 C ATOM 1311 CG LYS A 86 -4.244 0.925 -6.625 1.00 0.94 C ATOM 1312 CD LYS A 86 -5.210 1.898 -7.306 1.00 1.03 C ATOM 1313 CE LYS A 86 -6.166 1.121 -8.213 1.00 1.37 C ATOM 1314 NZ LYS A 86 -7.148 2.135 -8.688 1.00 1.73 N ATOM 0 H LYS A 86 -2.846 -0.125 -4.375 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.477 0.385 -7.020 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.192 2.164 -5.202 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.764 2.479 -6.872 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.962 0.131 -7.316 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -4.730 0.449 -5.773 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.774 2.452 -6.555 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.653 2.630 -7.890 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.635 0.663 -9.048 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -6.660 0.316 -7.669 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -8.112 1.758 -8.588 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -7.055 3.001 -8.120 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -6.964 2.355 -9.688 1.00 1.73 H new ATOM 1328 N PHE A 87 0.073 2.250 -6.066 1.00 0.37 N ATOM 1329 CA PHE A 87 1.229 2.957 -5.441 1.00 0.36 C ATOM 1330 C PHE A 87 1.043 4.472 -5.541 1.00 0.33 C ATOM 1331 O PHE A 87 0.878 5.018 -6.614 1.00 0.37 O ATOM 1332 CB PHE A 87 2.450 2.515 -6.247 1.00 0.42 C ATOM 1333 CG PHE A 87 3.683 3.200 -5.704 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.908 3.243 -4.322 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.600 3.791 -6.581 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.049 3.879 -3.818 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.741 4.427 -6.077 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.966 4.470 -4.696 1.00 0.72 C ATOM 0 H PHE A 87 -0.093 2.469 -7.048 1.00 0.37 H new ATOM 0 HA PHE A 87 1.331 2.719 -4.382 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.566 1.433 -6.189 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.315 2.765 -7.299 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.201 2.786 -3.645 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.427 3.756 -7.647 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.222 3.914 -2.752 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.448 4.884 -6.754 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.847 4.959 -4.308 1.00 0.72 H new ATOM 1348 N PHE A 88 1.068 5.158 -4.430 1.00 0.33 N ATOM 1349 CA PHE A 88 0.894 6.636 -4.467 1.00 0.35 C ATOM 1350 C PHE A 88 2.246 7.332 -4.293 1.00 0.42 C ATOM 1351 O PHE A 88 3.076 6.911 -3.511 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.035 6.951 -3.296 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.453 6.596 -3.675 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.065 7.221 -4.767 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.156 5.641 -2.931 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.381 6.890 -5.116 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.471 5.310 -3.279 1.00 0.73 C ATOM 1358 CZ PHE A 88 -4.082 5.940 -4.380 1.00 0.62 C ATOM 0 H PHE A 88 1.201 4.759 -3.501 1.00 0.33 H new ATOM 0 HA PHE A 88 0.483 6.984 -5.415 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.270 6.388 -2.414 1.00 0.39 H new ATOM 0 HB3 PHE A 88 0.031 8.008 -3.038 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.523 7.958 -5.341 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.683 5.159 -2.088 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.853 7.374 -5.959 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -4.015 4.574 -2.705 1.00 0.73 H new ATOM 0 HZ PHE A 88 -5.095 5.686 -4.653 1.00 0.62 H new ATOM 1368 N ARG A 89 2.479 8.390 -5.022 1.00 0.47 N ATOM 1369 CA ARG A 89 3.782 9.106 -4.903 1.00 0.55 C ATOM 1370 C ARG A 89 3.568 10.533 -4.389 1.00 0.64 C ATOM 1371 O ARG A 89 3.249 11.433 -5.141 1.00 1.05 O ATOM 1372 CB ARG A 89 4.349 9.130 -6.322 1.00 0.73 C ATOM 1373 CG ARG A 89 5.864 9.340 -6.260 1.00 1.15 C ATOM 1374 CD ARG A 89 6.399 9.623 -7.666 1.00 1.42 C ATOM 1375 NE ARG A 89 7.541 10.557 -7.462 1.00 1.73 N ATOM 1376 CZ ARG A 89 8.379 10.784 -8.437 1.00 2.07 C ATOM 1377 NH1 ARG A 89 7.931 11.025 -9.639 1.00 2.56 N ATOM 1378 NH2 ARG A 89 9.663 10.768 -8.208 1.00 2.43 N ATOM 0 H ARG A 89 1.824 8.789 -5.694 1.00 0.47 H new ATOM 0 HA ARG A 89 4.455 8.617 -4.199 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.121 8.194 -6.833 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.883 9.929 -6.898 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.100 10.171 -5.596 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.348 8.455 -5.847 1.00 1.15 H new ATOM 0 HD2 ARG A 89 6.722 8.705 -8.158 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.632 10.070 -8.298 1.00 1.42 H new ATOM 0 HE ARG A 89 7.668 11.019 -6.561 1.00 1.73 H new ATOM 0 HH11 ARG A 89 6.927 11.036 -9.816 1.00 2.56 H new ATOM 0 HH12 ARG A 89 8.585 11.202 -10.401 1.00 2.56 H new ATOM 0 HH21 ARG A 89 10.011 10.578 -7.268 1.00 2.43 H new ATOM 0 HH22 ARG A 89 10.319 10.945 -8.969 1.00 2.43 H new ATOM 1392 N ASN A 90 3.747 10.747 -3.114 1.00 0.57 N ATOM 1393 CA ASN A 90 3.562 12.116 -2.549 1.00 0.68 C ATOM 1394 C ASN A 90 2.221 12.708 -2.992 1.00 0.69 C ATOM 1395 O ASN A 90 2.170 13.645 -3.764 1.00 0.98 O ATOM 1396 CB ASN A 90 4.722 12.936 -3.116 1.00 0.87 C ATOM 1397 CG ASN A 90 4.693 14.343 -2.515 1.00 1.10 C ATOM 1398 OD1 ASN A 90 5.529 14.650 -1.562 1.00 1.65 O flip ATOM 1399 ND2 ASN A 90 3.900 15.171 -2.918 1.00 1.74 N flip ATOM 0 H ASN A 90 4.014 10.032 -2.437 1.00 0.57 H new ATOM 0 HA ASN A 90 3.555 12.110 -1.459 1.00 0.68 H new ATOM 0 HB2 ASN A 90 5.671 12.451 -2.887 1.00 0.87 H new ATOM 0 HB3 ASN A 90 4.646 12.991 -4.202 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.246 14.931 -3.663 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.888 16.106 -2.511 1.00 1.74 H new ATOM 1406 N GLY A 91 1.136 12.173 -2.503 1.00 0.65 N ATOM 1407 CA GLY A 91 -0.201 12.708 -2.890 1.00 0.75 C ATOM 1408 C GLY A 91 -0.327 12.744 -4.415 1.00 0.79 C ATOM 1409 O GLY A 91 -0.107 13.761 -5.043 1.00 1.19 O ATOM 0 H GLY A 91 1.117 11.388 -1.852 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.988 12.085 -2.466 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -0.333 13.710 -2.482 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.685 11.643 -5.013 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.832 11.610 -6.496 1.00 1.27 C ATOM 1415 C ASP A 92 -2.310 11.740 -6.881 1.00 1.14 C ATOM 1416 O ASP A 92 -2.718 12.716 -7.478 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.284 10.246 -6.918 1.00 1.93 C ATOM 1418 CG ASP A 92 -0.230 10.166 -8.445 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.015 11.187 -9.064 1.00 2.68 O ATOM 1420 OD2 ASP A 92 -0.434 9.083 -8.968 1.00 2.41 O ATOM 0 H ASP A 92 -0.883 10.762 -4.539 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.303 12.429 -6.984 1.00 1.27 H new ATOM 0 HB2 ASP A 92 0.712 10.098 -6.500 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -0.917 9.451 -6.524 1.00 1.93 H new ATOM 1425 N THR A 93 -3.108 10.758 -6.541 1.00 0.96 N ATOM 1426 CA THR A 93 -4.569 10.800 -6.876 1.00 1.33 C ATOM 1427 C THR A 93 -4.792 11.279 -8.315 1.00 1.26 C ATOM 1428 O THR A 93 -5.656 12.091 -8.583 1.00 1.90 O ATOM 1429 CB THR A 93 -5.187 11.784 -5.879 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.676 13.088 -6.117 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.845 11.350 -4.454 1.00 1.92 C ATOM 0 H THR A 93 -2.809 9.921 -6.041 1.00 0.96 H new ATOM 0 HA THR A 93 -5.022 9.811 -6.808 1.00 1.33 H new ATOM 0 HB THR A 93 -6.270 11.794 -6.004 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.276 13.124 -7.011 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.285 12.051 -3.745 1.00 1.92 H new ATOM 0 HG22 THR A 93 -5.243 10.352 -4.272 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.762 11.338 -4.327 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.020 10.783 -9.241 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.189 11.208 -10.661 1.00 1.18 C ATOM 1441 C ALA A 94 -3.598 10.151 -11.595 1.00 1.14 C ATOM 1442 O ALA A 94 -4.183 9.792 -12.597 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.414 12.520 -10.777 1.00 1.24 C ATOM 0 H ALA A 94 -3.279 10.102 -9.077 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.236 11.330 -10.937 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.490 12.899 -11.796 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.832 13.252 -10.086 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.366 12.347 -10.531 1.00 1.24 H new ATOM 1449 N SER A 95 -2.443 9.652 -11.265 1.00 1.20 N ATOM 1450 CA SER A 95 -1.801 8.616 -12.122 1.00 1.22 C ATOM 1451 C SER A 95 -1.029 7.619 -11.247 1.00 0.98 C ATOM 1452 O SER A 95 0.181 7.543 -11.319 1.00 0.98 O ATOM 1453 CB SER A 95 -0.847 9.392 -13.031 1.00 1.48 C ATOM 1454 OG SER A 95 -1.325 9.348 -14.367 1.00 2.01 O ATOM 0 H SER A 95 -1.912 9.917 -10.435 1.00 1.20 H new ATOM 0 HA SER A 95 -2.526 8.039 -12.696 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.769 10.426 -12.695 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.153 8.963 -12.977 1.00 1.48 H new ATOM 0 HG SER A 95 -0.715 9.847 -14.949 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.757 6.885 -10.440 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.117 5.889 -9.546 1.00 0.72 C ATOM 1462 C PRO A 96 -0.609 4.691 -10.353 1.00 0.65 C ATOM 1463 O PRO A 96 -1.243 4.247 -11.288 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.246 5.471 -8.606 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.503 5.743 -9.370 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.220 6.907 -10.282 1.00 1.02 C ATOM 0 HA PRO A 96 -0.252 6.286 -9.015 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.167 4.418 -8.337 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.217 6.040 -7.677 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.802 4.867 -9.945 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.324 5.975 -8.692 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.727 6.796 -11.240 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.561 7.847 -9.848 1.00 1.02 H new ATOM 1474 N LYS A 97 0.531 4.167 -9.997 1.00 0.55 N ATOM 1475 CA LYS A 97 1.079 2.997 -10.742 1.00 0.57 C ATOM 1476 C LYS A 97 0.780 1.703 -9.981 1.00 0.53 C ATOM 1477 O LYS A 97 0.868 1.651 -8.770 1.00 0.89 O ATOM 1478 CB LYS A 97 2.585 3.244 -10.814 1.00 0.68 C ATOM 1479 CG LYS A 97 2.912 4.057 -12.068 1.00 0.85 C ATOM 1480 CD LYS A 97 4.411 3.961 -12.363 1.00 1.63 C ATOM 1481 CE LYS A 97 4.702 4.562 -13.739 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.491 3.443 -14.699 1.00 2.61 N ATOM 0 H LYS A 97 1.107 4.498 -9.223 1.00 0.55 H new ATOM 0 HA LYS A 97 0.638 2.892 -11.733 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.919 3.778 -9.925 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.119 2.294 -10.835 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.339 3.683 -12.916 1.00 0.85 H new ATOM 0 HG3 LYS A 97 2.625 5.099 -11.924 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.977 4.490 -11.597 1.00 1.63 H new ATOM 0 HD3 LYS A 97 4.732 2.920 -12.334 1.00 1.63 H new ATOM 0 HE2 LYS A 97 4.036 5.398 -13.954 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.721 4.944 -13.796 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.252 3.829 -15.635 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.361 2.877 -14.770 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.713 2.840 -14.364 1.00 2.61 H new ATOM 1496 N GLU A 98 0.428 0.660 -10.680 1.00 0.51 N ATOM 1497 CA GLU A 98 0.125 -0.628 -9.994 1.00 0.48 C ATOM 1498 C GLU A 98 1.409 -1.437 -9.793 1.00 0.45 C ATOM 1499 O GLU A 98 2.327 -1.367 -10.587 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.830 -1.362 -10.936 1.00 0.61 C ATOM 1501 CG GLU A 98 -1.243 -2.695 -10.310 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.710 -2.625 -9.880 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -3.471 -1.946 -10.551 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -3.047 -3.252 -8.890 1.00 2.79 O ATOM 0 H GLU A 98 0.337 0.643 -11.696 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.311 -0.477 -9.007 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.711 -0.750 -11.127 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -0.347 -1.534 -11.898 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.101 -3.504 -11.026 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.611 -2.916 -9.450 1.00 1.33 H new ATOM 1511 N TYR A 99 1.482 -2.202 -8.738 1.00 0.45 N ATOM 1512 CA TYR A 99 2.709 -3.012 -8.491 1.00 0.46 C ATOM 1513 C TYR A 99 2.838 -4.112 -9.548 1.00 0.53 C ATOM 1514 O TYR A 99 1.858 -4.581 -10.092 1.00 0.67 O ATOM 1515 CB TYR A 99 2.511 -3.621 -7.103 1.00 0.52 C ATOM 1516 CG TYR A 99 3.649 -3.201 -6.203 1.00 0.64 C ATOM 1517 CD1 TYR A 99 3.577 -1.991 -5.500 1.00 1.58 C ATOM 1518 CD2 TYR A 99 4.775 -4.022 -6.069 1.00 1.20 C ATOM 1519 CE1 TYR A 99 4.632 -1.602 -4.666 1.00 2.05 C ATOM 1520 CE2 TYR A 99 5.830 -3.632 -5.234 1.00 1.49 C ATOM 1521 CZ TYR A 99 5.757 -2.421 -4.534 1.00 1.70 C ATOM 1522 OH TYR A 99 6.798 -2.040 -3.711 1.00 2.27 O ATOM 0 H TYR A 99 0.747 -2.301 -8.038 1.00 0.45 H new ATOM 0 HA TYR A 99 3.617 -2.412 -8.545 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.560 -3.293 -6.682 1.00 0.52 H new ATOM 0 HB3 TYR A 99 2.471 -4.708 -7.173 1.00 0.52 H new ATOM 0 HD1 TYR A 99 2.708 -1.358 -5.602 1.00 1.58 H new ATOM 0 HD2 TYR A 99 4.830 -4.956 -6.609 1.00 1.20 H new ATOM 0 HE1 TYR A 99 4.577 -0.669 -4.125 1.00 2.05 H new ATOM 0 HE2 TYR A 99 6.699 -4.265 -5.130 1.00 1.49 H new ATOM 0 HH TYR A 99 7.434 -2.781 -3.623 1.00 2.27 H new ATOM 1532 N THR A 100 4.038 -4.525 -9.845 1.00 0.60 N ATOM 1533 CA THR A 100 4.229 -5.593 -10.869 1.00 0.72 C ATOM 1534 C THR A 100 4.683 -6.894 -10.202 1.00 0.83 C ATOM 1535 O THR A 100 4.385 -7.977 -10.666 1.00 1.71 O ATOM 1536 CB THR A 100 5.319 -5.057 -11.800 1.00 0.93 C ATOM 1537 OG1 THR A 100 6.532 -4.918 -11.073 1.00 1.36 O ATOM 1538 CG2 THR A 100 4.895 -3.696 -12.355 1.00 1.13 C ATOM 0 H THR A 100 4.896 -4.170 -9.423 1.00 0.60 H new ATOM 0 HA THR A 100 3.308 -5.819 -11.406 1.00 0.72 H new ATOM 0 HB THR A 100 5.467 -5.752 -12.626 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.498 -4.100 -10.534 1.00 1.36 H new ATOM 0 HG21 THR A 100 5.672 -3.315 -13.018 1.00 1.13 H new ATOM 0 HG22 THR A 100 3.964 -3.804 -12.912 1.00 1.13 H new ATOM 0 HG23 THR A 100 4.746 -2.998 -11.531 1.00 1.13 H new ATOM 1546 N ALA A 101 5.398 -6.798 -9.114 1.00 0.83 N ATOM 1547 CA ALA A 101 5.868 -8.031 -8.420 1.00 1.01 C ATOM 1548 C ALA A 101 4.684 -8.760 -7.780 1.00 1.36 C ATOM 1549 O ALA A 101 3.562 -8.662 -8.238 1.00 1.98 O ATOM 1550 CB ALA A 101 6.839 -7.536 -7.347 1.00 0.87 C ATOM 0 H ALA A 101 5.677 -5.920 -8.676 1.00 0.83 H new ATOM 0 HA ALA A 101 6.342 -8.735 -9.103 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.230 -8.387 -6.790 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.663 -7.002 -7.820 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.316 -6.865 -6.665 1.00 0.87 H new ATOM 1556 N GLY A 102 4.922 -9.489 -6.724 1.00 1.17 N ATOM 1557 CA GLY A 102 3.808 -10.222 -6.058 1.00 1.71 C ATOM 1558 C GLY A 102 4.279 -11.622 -5.661 1.00 1.08 C ATOM 1559 O GLY A 102 3.951 -12.603 -6.298 1.00 1.27 O ATOM 0 H GLY A 102 5.839 -9.609 -6.294 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.476 -9.675 -5.175 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.953 -10.292 -6.730 1.00 1.71 H new ATOM 1563 N ARG A 103 5.049 -11.723 -4.612 1.00 0.90 N ATOM 1564 CA ARG A 103 5.542 -13.062 -4.175 1.00 1.11 C ATOM 1565 C ARG A 103 5.852 -13.043 -2.677 1.00 0.94 C ATOM 1566 O ARG A 103 5.310 -13.815 -1.910 1.00 1.04 O ATOM 1567 CB ARG A 103 6.817 -13.299 -4.984 1.00 1.71 C ATOM 1568 CG ARG A 103 7.220 -14.772 -4.882 1.00 2.44 C ATOM 1569 CD ARG A 103 8.422 -15.036 -5.791 1.00 3.16 C ATOM 1570 NE ARG A 103 9.430 -15.695 -4.914 1.00 3.73 N ATOM 1571 CZ ARG A 103 10.265 -16.562 -5.417 1.00 4.34 C ATOM 1572 NH1 ARG A 103 10.745 -16.384 -6.618 1.00 4.81 N ATOM 1573 NH2 ARG A 103 10.620 -17.606 -4.720 1.00 4.84 N ATOM 0 H ARG A 103 5.358 -10.938 -4.039 1.00 0.90 H new ATOM 0 HA ARG A 103 4.806 -13.849 -4.339 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.654 -13.027 -6.027 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.621 -12.664 -4.610 1.00 1.71 H new ATOM 0 HG2 ARG A 103 7.469 -15.021 -3.851 1.00 2.44 H new ATOM 0 HG3 ARG A 103 6.385 -15.410 -5.171 1.00 2.44 H new ATOM 0 HD2 ARG A 103 8.150 -15.676 -6.630 1.00 3.16 H new ATOM 0 HD3 ARG A 103 8.811 -14.108 -6.211 1.00 3.16 H new ATOM 0 HE ARG A 103 9.467 -15.468 -3.920 1.00 3.73 H new ATOM 0 HH11 ARG A 103 10.467 -15.567 -7.162 1.00 4.81 H new ATOM 0 HH12 ARG A 103 11.398 -17.061 -7.012 1.00 4.81 H new ATOM 0 HH21 ARG A 103 10.245 -17.744 -3.782 1.00 4.84 H new ATOM 0 HH22 ARG A 103 11.273 -18.284 -5.113 1.00 4.84 H new ATOM 1587 N GLU A 104 6.717 -12.167 -2.259 1.00 0.75 N ATOM 1588 CA GLU A 104 7.067 -12.090 -0.812 1.00 0.66 C ATOM 1589 C GLU A 104 7.487 -10.663 -0.448 1.00 0.56 C ATOM 1590 O GLU A 104 7.714 -9.836 -1.310 1.00 0.57 O ATOM 1591 CB GLU A 104 8.238 -13.056 -0.632 1.00 0.79 C ATOM 1592 CG GLU A 104 7.742 -14.493 -0.798 1.00 1.59 C ATOM 1593 CD GLU A 104 8.815 -15.463 -0.299 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.537 -15.098 0.614 1.00 2.51 O ATOM 1595 OE2 GLU A 104 8.898 -16.555 -0.839 1.00 2.04 O ATOM 0 H GLU A 104 7.200 -11.497 -2.857 1.00 0.75 H new ATOM 0 HA GLU A 104 6.226 -12.349 -0.169 1.00 0.66 H new ATOM 0 HB2 GLU A 104 9.016 -12.842 -1.364 1.00 0.79 H new ATOM 0 HB3 GLU A 104 8.683 -12.925 0.354 1.00 0.79 H new ATOM 0 HG2 GLU A 104 6.818 -14.637 -0.239 1.00 1.59 H new ATOM 0 HG3 GLU A 104 7.515 -14.692 -1.845 1.00 1.59 H new ATOM 1602 N ALA A 105 7.589 -10.367 0.823 1.00 0.50 N ATOM 1603 CA ALA A 105 7.993 -8.990 1.249 1.00 0.44 C ATOM 1604 C ALA A 105 9.209 -8.509 0.450 1.00 0.45 C ATOM 1605 O ALA A 105 9.362 -7.334 0.184 1.00 0.47 O ATOM 1606 CB ALA A 105 8.349 -9.124 2.730 1.00 0.47 C ATOM 0 H ALA A 105 7.410 -11.020 1.586 1.00 0.50 H new ATOM 0 HA ALA A 105 7.200 -8.262 1.078 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.657 -8.154 3.119 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.479 -9.477 3.283 1.00 0.47 H new ATOM 0 HB3 ALA A 105 9.166 -9.837 2.845 1.00 0.47 H new ATOM 1612 N ASP A 106 10.072 -9.408 0.062 1.00 0.51 N ATOM 1613 CA ASP A 106 11.270 -8.995 -0.723 1.00 0.56 C ATOM 1614 C ASP A 106 10.835 -8.387 -2.056 1.00 0.54 C ATOM 1615 O ASP A 106 11.434 -7.455 -2.553 1.00 0.64 O ATOM 1616 CB ASP A 106 12.062 -10.284 -0.951 1.00 0.67 C ATOM 1617 CG ASP A 106 11.421 -11.081 -2.088 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.766 -10.827 -3.231 1.00 1.82 O ATOM 1619 OD2 ASP A 106 10.598 -11.932 -1.798 1.00 2.02 O ATOM 0 H ASP A 106 10.000 -10.407 0.254 1.00 0.51 H new ATOM 0 HA ASP A 106 11.865 -8.242 -0.207 1.00 0.56 H new ATOM 0 HB2 ASP A 106 13.098 -10.049 -1.196 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.078 -10.880 -0.039 1.00 0.67 H new ATOM 1624 N ASP A 107 9.789 -8.907 -2.636 1.00 0.50 N ATOM 1625 CA ASP A 107 9.306 -8.358 -3.935 1.00 0.52 C ATOM 1626 C ASP A 107 8.773 -6.937 -3.731 1.00 0.51 C ATOM 1627 O ASP A 107 8.742 -6.137 -4.644 1.00 0.63 O ATOM 1628 CB ASP A 107 8.182 -9.298 -4.371 1.00 0.55 C ATOM 1629 CG ASP A 107 8.730 -10.315 -5.375 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.873 -10.714 -5.220 1.00 1.41 O ATOM 1631 OD2 ASP A 107 7.996 -10.678 -6.280 1.00 1.39 O ATOM 0 H ASP A 107 9.247 -9.689 -2.267 1.00 0.50 H new ATOM 0 HA ASP A 107 10.096 -8.301 -4.684 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.767 -9.813 -3.505 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.370 -8.727 -4.821 1.00 0.55 H new ATOM 1636 N ILE A 108 8.359 -6.618 -2.534 1.00 0.46 N ATOM 1637 CA ILE A 108 7.835 -5.249 -2.263 1.00 0.52 C ATOM 1638 C ILE A 108 8.998 -4.259 -2.166 1.00 0.50 C ATOM 1639 O ILE A 108 8.990 -3.209 -2.780 1.00 0.52 O ATOM 1640 CB ILE A 108 7.116 -5.356 -0.916 1.00 0.60 C ATOM 1641 CG1 ILE A 108 6.067 -6.473 -0.975 1.00 0.73 C ATOM 1642 CG2 ILE A 108 6.432 -4.025 -0.595 1.00 0.67 C ATOM 1643 CD1 ILE A 108 5.031 -6.153 -2.053 1.00 0.68 C ATOM 0 H ILE A 108 8.361 -7.248 -1.731 1.00 0.46 H new ATOM 0 HA ILE A 108 7.171 -4.896 -3.052 1.00 0.52 H new ATOM 0 HB ILE A 108 7.843 -5.588 -0.137 1.00 0.60 H new ATOM 0 HG12 ILE A 108 6.549 -7.426 -1.192 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.578 -6.577 -0.007 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.920 -4.101 0.364 1.00 0.67 H new ATOM 0 HG22 ILE A 108 7.180 -3.234 -0.545 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.708 -3.791 -1.375 1.00 0.67 H new ATOM 0 HD11 ILE A 108 4.288 -6.949 -2.091 1.00 0.68 H new ATOM 0 HD12 ILE A 108 4.540 -5.209 -1.817 1.00 0.68 H new ATOM 0 HD13 ILE A 108 5.526 -6.072 -3.021 1.00 0.68 H new ATOM 1655 N VAL A 109 9.999 -4.588 -1.394 1.00 0.51 N ATOM 1656 CA VAL A 109 11.167 -3.673 -1.249 1.00 0.56 C ATOM 1657 C VAL A 109 11.855 -3.473 -2.601 1.00 0.51 C ATOM 1658 O VAL A 109 12.291 -2.388 -2.931 1.00 0.55 O ATOM 1659 CB VAL A 109 12.101 -4.382 -0.270 1.00 0.67 C ATOM 1660 CG1 VAL A 109 13.378 -3.557 -0.092 1.00 0.81 C ATOM 1661 CG2 VAL A 109 11.401 -4.534 1.082 1.00 0.86 C ATOM 0 H VAL A 109 10.058 -5.453 -0.857 1.00 0.51 H new ATOM 0 HA VAL A 109 10.877 -2.684 -0.894 1.00 0.56 H new ATOM 0 HB VAL A 109 12.357 -5.367 -0.661 1.00 0.67 H new ATOM 0 HG11 VAL A 109 14.044 -4.063 0.607 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.877 -3.447 -1.055 1.00 0.81 H new ATOM 0 HG13 VAL A 109 13.123 -2.572 0.299 1.00 0.81 H new ATOM 0 HG21 VAL A 109 12.067 -5.040 1.781 1.00 0.86 H new ATOM 0 HG22 VAL A 109 11.145 -3.549 1.472 1.00 0.86 H new ATOM 0 HG23 VAL A 109 10.492 -5.122 0.957 1.00 0.86 H new ATOM 1671 N ASN A 110 11.958 -4.511 -3.388 1.00 0.50 N ATOM 1672 CA ASN A 110 12.621 -4.375 -4.718 1.00 0.52 C ATOM 1673 C ASN A 110 11.998 -3.219 -5.502 1.00 0.50 C ATOM 1674 O ASN A 110 12.687 -2.356 -6.007 1.00 0.59 O ATOM 1675 CB ASN A 110 12.370 -5.706 -5.427 1.00 0.59 C ATOM 1676 CG ASN A 110 13.710 -6.370 -5.753 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.653 -5.706 -6.137 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.836 -7.661 -5.614 1.00 1.29 N ATOM 0 H ASN A 110 11.613 -5.445 -3.168 1.00 0.50 H new ATOM 0 HA ASN A 110 13.686 -4.159 -4.629 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.772 -6.361 -4.793 1.00 0.59 H new ATOM 0 HB3 ASN A 110 11.801 -5.541 -6.342 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.725 -8.113 -5.827 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.045 -8.219 -5.292 1.00 1.29 H new ATOM 1685 N TRP A 111 10.701 -3.194 -5.598 1.00 0.46 N ATOM 1686 CA TRP A 111 10.032 -2.089 -6.340 1.00 0.51 C ATOM 1687 C TRP A 111 10.255 -0.767 -5.603 1.00 0.55 C ATOM 1688 O TRP A 111 10.292 0.291 -6.199 1.00 0.66 O ATOM 1689 CB TRP A 111 8.547 -2.456 -6.356 1.00 0.55 C ATOM 1690 CG TRP A 111 8.005 -2.280 -7.739 1.00 0.58 C ATOM 1691 CD1 TRP A 111 8.370 -3.014 -8.815 1.00 0.73 C ATOM 1692 CD2 TRP A 111 7.011 -1.325 -8.213 1.00 0.69 C ATOM 1693 NE1 TRP A 111 7.665 -2.570 -9.919 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.813 -1.531 -9.599 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.268 -0.311 -7.581 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.913 -0.757 -10.332 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.361 0.469 -8.316 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.184 0.246 -9.689 1.00 1.14 C ATOM 0 H TRP A 111 10.073 -3.890 -5.195 1.00 0.46 H new ATOM 0 HA TRP A 111 10.424 -1.967 -7.350 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.413 -3.487 -6.030 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.998 -1.826 -5.656 1.00 0.55 H new ATOM 0 HD1 TRP A 111 9.094 -3.816 -8.812 1.00 0.73 H new ATOM 0 HE1 TRP A 111 7.762 -2.962 -10.856 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.396 -0.132 -6.524 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.781 -0.932 -11.389 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 4.796 1.245 -7.821 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.485 0.849 -10.249 1.00 1.14 H new ATOM 1709 N LEU A 112 10.409 -0.824 -4.308 1.00 0.55 N ATOM 1710 CA LEU A 112 10.637 0.423 -3.526 1.00 0.65 C ATOM 1711 C LEU A 112 12.088 0.887 -3.687 1.00 0.65 C ATOM 1712 O LEU A 112 12.362 2.063 -3.821 1.00 0.75 O ATOM 1713 CB LEU A 112 10.352 0.038 -2.074 1.00 0.74 C ATOM 1714 CG LEU A 112 8.845 -0.152 -1.885 1.00 0.86 C ATOM 1715 CD1 LEU A 112 8.575 -0.734 -0.496 1.00 1.49 C ATOM 1716 CD2 LEU A 112 8.139 1.199 -2.019 1.00 1.10 C ATOM 0 H LEU A 112 10.387 -1.682 -3.757 1.00 0.55 H new ATOM 0 HA LEU A 112 10.002 1.244 -3.860 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.880 -0.881 -1.819 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.719 0.814 -1.402 1.00 0.74 H new ATOM 0 HG LEU A 112 8.467 -0.836 -2.645 1.00 0.86 H new ATOM 0 HD11 LEU A 112 7.502 -0.870 -0.361 1.00 1.49 H new ATOM 0 HD12 LEU A 112 9.077 -1.697 -0.401 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.953 -0.051 0.265 1.00 1.49 H new ATOM 0 HD21 LEU A 112 7.066 1.064 -1.884 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.516 1.884 -1.260 1.00 1.10 H new ATOM 0 HD23 LEU A 112 8.331 1.613 -3.009 1.00 1.10 H new ATOM 1728 N LYS A 113 13.019 -0.030 -3.675 1.00 0.62 N ATOM 1729 CA LYS A 113 14.450 0.362 -3.831 1.00 0.70 C ATOM 1730 C LYS A 113 14.859 0.303 -5.308 1.00 0.75 C ATOM 1731 O LYS A 113 16.026 0.221 -5.636 1.00 1.01 O ATOM 1732 CB LYS A 113 15.240 -0.660 -3.002 1.00 0.79 C ATOM 1733 CG LYS A 113 15.157 -2.047 -3.650 1.00 1.42 C ATOM 1734 CD LYS A 113 15.372 -3.122 -2.583 1.00 1.84 C ATOM 1735 CE LYS A 113 16.833 -3.577 -2.604 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.780 -5.048 -2.384 1.00 2.86 N ATOM 0 H LYS A 113 12.851 -1.030 -3.564 1.00 0.62 H new ATOM 0 HA LYS A 113 14.638 1.382 -3.495 1.00 0.70 H new ATOM 0 HB2 LYS A 113 16.282 -0.349 -2.925 1.00 0.79 H new ATOM 0 HB3 LYS A 113 14.843 -0.700 -1.988 1.00 0.79 H new ATOM 0 HG2 LYS A 113 14.185 -2.181 -4.125 1.00 1.42 H new ATOM 0 HG3 LYS A 113 15.910 -2.140 -4.432 1.00 1.42 H new ATOM 0 HD2 LYS A 113 15.117 -2.729 -1.599 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.713 -3.970 -2.768 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.308 -3.337 -3.555 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.412 -3.082 -1.825 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.746 -5.434 -2.385 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.329 -5.246 -1.468 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 16.228 -5.493 -3.145 1.00 2.86 H new ATOM 1750 N LYS A 114 13.907 0.341 -6.200 1.00 0.71 N ATOM 1751 CA LYS A 114 14.243 0.285 -7.652 1.00 0.89 C ATOM 1752 C LYS A 114 14.824 1.622 -8.115 1.00 1.07 C ATOM 1753 O LYS A 114 15.724 1.670 -8.930 1.00 1.31 O ATOM 1754 CB LYS A 114 12.915 0.005 -8.355 1.00 0.92 C ATOM 1755 CG LYS A 114 13.181 -0.680 -9.696 1.00 1.45 C ATOM 1756 CD LYS A 114 12.043 -0.362 -10.667 1.00 1.77 C ATOM 1757 CE LYS A 114 12.441 -0.794 -12.081 1.00 2.49 C ATOM 1758 NZ LYS A 114 11.325 -1.665 -12.545 1.00 3.00 N ATOM 0 H LYS A 114 12.912 0.408 -5.987 1.00 0.71 H new ATOM 0 HA LYS A 114 14.990 -0.477 -7.873 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.287 -0.629 -7.729 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.371 0.937 -8.512 1.00 0.92 H new ATOM 0 HG2 LYS A 114 14.131 -0.339 -10.108 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.263 -1.758 -9.556 1.00 1.45 H new ATOM 0 HD2 LYS A 114 11.134 -0.879 -10.360 1.00 1.77 H new ATOM 0 HD3 LYS A 114 11.824 0.706 -10.650 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.568 0.068 -12.736 1.00 2.49 H new ATOM 0 HE3 LYS A 114 13.388 -1.334 -12.077 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 11.525 -2.001 -13.509 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.232 -2.480 -11.906 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.438 -1.122 -12.545 1.00 3.00 H new ATOM 1772 N ARG A 115 14.319 2.709 -7.600 1.00 1.09 N ATOM 1773 CA ARG A 115 14.845 4.042 -8.013 1.00 1.40 C ATOM 1774 C ARG A 115 15.763 4.624 -6.929 1.00 1.25 C ATOM 1775 O ARG A 115 16.217 5.747 -7.031 1.00 1.55 O ATOM 1776 CB ARG A 115 13.605 4.917 -8.190 1.00 1.86 C ATOM 1777 CG ARG A 115 13.510 5.375 -9.647 1.00 2.43 C ATOM 1778 CD ARG A 115 12.071 5.215 -10.142 1.00 2.92 C ATOM 1779 NE ARG A 115 11.913 6.254 -11.197 1.00 3.45 N ATOM 1780 CZ ARG A 115 11.343 5.951 -12.332 1.00 3.99 C ATOM 1781 NH1 ARG A 115 11.893 5.068 -13.121 1.00 4.52 N ATOM 1782 NH2 ARG A 115 10.226 6.529 -12.677 1.00 4.34 N ATOM 0 H ARG A 115 13.566 2.733 -6.912 1.00 1.09 H new ATOM 0 HA ARG A 115 15.440 3.981 -8.924 1.00 1.40 H new ATOM 0 HB2 ARG A 115 12.710 4.359 -7.914 1.00 1.86 H new ATOM 0 HB3 ARG A 115 13.659 5.781 -7.528 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.821 6.416 -9.733 1.00 2.43 H new ATOM 0 HG3 ARG A 115 14.186 4.788 -10.268 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.899 4.216 -10.542 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.356 5.361 -9.333 1.00 2.92 H new ATOM 0 HE ARG A 115 12.250 7.203 -11.033 1.00 3.45 H new ATOM 0 HH11 ARG A 115 12.766 4.616 -12.850 1.00 4.52 H new ATOM 0 HH12 ARG A 115 11.449 4.830 -14.008 1.00 4.52 H new ATOM 0 HH21 ARG A 115 9.797 7.219 -12.060 1.00 4.34 H new ATOM 0 HH22 ARG A 115 9.782 6.292 -13.564 1.00 4.34 H new