USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1197 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 60 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9) USER MOD Set 1.2: B 62 GLN : amide:sc= 0 K(o=-0.18,f=-0.98) USER MOD Set 2.1: B 25 ASN : amide:sc= 1.11 K(o=2.5,f=-0.1!) USER MOD Set 2.2: B 29 LYS NZ :NH3+ -119:sc= 1.36 (180deg=-0.059) USER MOD Set 3.1: B 7 THR OG1 : rot 74:sc= 1.24 USER MOD Set 3.2: B 9 THR OG1 : rot -52:sc= 0.806 USER MOD Set 4.1: B 6 LYS NZ :NH3+ -129:sc= 1.25 (180deg=0.142) USER MOD Set 4.2: B 12 THR OG1 : rot 141:sc= 0.727 USER MOD Set 5.1: A 60 ASN : amide:sc= -0.218 K(o=-0.21,f=-1.6!) USER MOD Set 5.2: A 62 GLN : amide:sc= 0.00331 X(o=-0.21,f=-0.41) USER MOD Set 6.1: A 7 THR OG1 : rot 170:sc= 0.495 USER MOD Set 6.2: A 9 THR OG1 : rot -70:sc= 0.189 USER MOD Set 7.1: A 6 LYS NZ :NH3+ -176:sc= 0.894 (180deg=-0.0999) USER MOD Set 7.2: A 12 THR OG1 : rot 170:sc= 0.841 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.411 (180deg=-0.411) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.26 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= 1.22 (180deg=1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 25 ASN : amide:sc= 1.05 K(o=1,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 2.2 (180deg=1.94) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= -0.0464 (180deg=-0.277) USER MOD Single : A 31 GLN : amide:sc= -0.351 K(o=-0.35,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 1.25 (180deg=0.95) USER MOD Single : A 40 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.8) USER MOD Single : A 41 GLN : amide:sc= -0.684 K(o=-0.68,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1) USER MOD Single : A 49 GLN : amide:sc= -4.85! C(o=-4.8!,f=-6.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 57 SER OG : rot -83:sc= 0.0415 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.442 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 117:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.269 K(o=0.27,f=-4.8!) USER MOD Single : B 1 MET CE :methyl -167:sc= -0.656 (180deg=-1.3) USER MOD Single : B 1 MET N :NH3+ -169:sc= 2.33 (180deg=2.15) USER MOD Single : B 2 GLN : amide:sc= 1.1 K(o=1.1,f=-0.016) USER MOD Single : B 11 LYS NZ :NH3+ 169:sc= 0.998 (180deg=0.392) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 147:sc= 1.13 USER MOD Single : B 27 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.16) USER MOD Single : B 31 GLN : amide:sc= -0.759 K(o=-0.76,f=-1.7) USER MOD Single : B 33 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.19) USER MOD Single : B 40 GLN : amide:sc= 1.38 K(o=1.4,f=-0.97) USER MOD Single : B 41 GLN : amide:sc= -0.981! C(o=-0.98!,f=-8.8!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.816! C(o=-0.82!,f=-9.9!) USER MOD Single : B 55 THR OG1 : rot 180:sc= -0.0567 USER MOD Single : B 57 SER OG : rot 56:sc= 0.899 USER MOD Single : B 59 TYR OH : rot 100:sc= 0.92 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 123:sc= 0.831 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.639 23.154 6.803 1.00 0.86 N ATOM 2 CA MET A 1 -3.909 22.404 6.719 1.00 0.85 C ATOM 3 C MET A 1 -3.754 21.057 7.409 1.00 0.82 C ATOM 4 O MET A 1 -2.777 20.339 7.191 1.00 0.77 O ATOM 5 CB MET A 1 -4.342 22.220 5.255 1.00 0.81 C ATOM 6 CG MET A 1 -3.506 21.222 4.468 1.00 0.73 C ATOM 7 SD MET A 1 -4.029 21.088 2.746 1.00 0.79 S ATOM 8 CE MET A 1 -3.278 19.528 2.278 1.00 0.71 C ATOM 0 H1 MET A 1 -2.788 24.128 6.469 1.00 0.86 H new ATOM 0 H2 MET A 1 -2.311 23.173 7.790 1.00 0.86 H new ATOM 0 H3 MET A 1 -1.922 22.690 6.209 1.00 0.86 H new ATOM 0 HA MET A 1 -4.688 22.974 7.225 1.00 0.85 H new ATOM 0 HB2 MET A 1 -5.383 21.897 5.236 1.00 0.81 H new ATOM 0 HB3 MET A 1 -4.298 23.186 4.753 1.00 0.81 H new ATOM 0 HG2 MET A 1 -2.459 21.522 4.504 1.00 0.73 H new ATOM 0 HG3 MET A 1 -3.573 20.243 4.942 1.00 0.73 H new ATOM 0 HE1 MET A 1 -3.328 19.410 1.196 1.00 0.71 H new ATOM 0 HE2 MET A 1 -2.236 19.516 2.596 1.00 0.71 H new ATOM 0 HE3 MET A 1 -3.813 18.708 2.757 1.00 0.71 H new ATOM 20 N GLN A 2 -4.706 20.725 8.259 1.00 0.85 N ATOM 21 CA GLN A 2 -4.664 19.475 8.995 1.00 0.84 C ATOM 22 C GLN A 2 -5.190 18.321 8.147 1.00 0.75 C ATOM 23 O GLN A 2 -6.058 18.511 7.293 1.00 0.76 O ATOM 24 CB GLN A 2 -5.480 19.609 10.278 1.00 0.95 C ATOM 25 CG GLN A 2 -5.328 18.439 11.230 1.00 1.04 C ATOM 26 CD GLN A 2 -5.946 18.717 12.582 1.00 1.15 C ATOM 27 OE1 GLN A 2 -7.144 18.524 12.781 1.00 1.32 O ATOM 28 NE2 GLN A 2 -5.132 19.164 13.523 1.00 1.48 N ATOM 0 H GLN A 2 -5.521 21.305 8.458 1.00 0.85 H new ATOM 0 HA GLN A 2 -3.627 19.255 9.249 1.00 0.84 H new ATOM 0 HB2 GLN A 2 -5.183 20.523 10.792 1.00 0.95 H new ATOM 0 HB3 GLN A 2 -6.533 19.718 10.017 1.00 0.95 H new ATOM 0 HG2 GLN A 2 -5.795 17.556 10.794 1.00 1.04 H new ATOM 0 HG3 GLN A 2 -4.270 18.211 11.356 1.00 1.04 H new ATOM 0 HE21 GLN A 2 -4.144 19.310 13.315 1.00 1.48 H new ATOM 0 HE22 GLN A 2 -5.492 19.362 14.457 1.00 1.48 H new ATOM 37 N ILE A 3 -4.664 17.131 8.402 1.00 0.67 N ATOM 38 CA ILE A 3 -5.058 15.930 7.682 1.00 0.59 C ATOM 39 C ILE A 3 -5.060 14.752 8.642 1.00 0.56 C ATOM 40 O ILE A 3 -4.455 14.820 9.715 1.00 0.59 O ATOM 41 CB ILE A 3 -4.121 15.605 6.495 1.00 0.52 C ATOM 42 CG1 ILE A 3 -2.656 15.616 6.942 1.00 0.51 C ATOM 43 CG2 ILE A 3 -4.344 16.580 5.347 1.00 0.54 C ATOM 44 CD1 ILE A 3 -1.726 14.903 5.982 1.00 0.44 C ATOM 0 H ILE A 3 -3.952 16.972 9.115 1.00 0.67 H new ATOM 0 HA ILE A 3 -6.052 16.111 7.274 1.00 0.59 H new ATOM 0 HB ILE A 3 -4.360 14.603 6.138 1.00 0.52 H new ATOM 0 HG12 ILE A 3 -2.327 16.649 7.055 1.00 0.51 H new ATOM 0 HG13 ILE A 3 -2.580 15.148 7.924 1.00 0.51 H new ATOM 0 HG21 ILE A 3 -3.674 16.332 4.524 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -5.377 16.512 5.007 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -4.140 17.595 5.687 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -0.705 14.950 6.362 1.00 0.44 H new ATOM 0 HD12 ILE A 3 -2.030 13.861 5.887 1.00 0.44 H new ATOM 0 HD13 ILE A 3 -1.772 15.385 5.005 1.00 0.44 H new ATOM 56 N PHE A 4 -5.734 13.680 8.258 1.00 0.54 N ATOM 57 CA PHE A 4 -5.819 12.492 9.086 1.00 0.55 C ATOM 58 C PHE A 4 -5.315 11.280 8.322 1.00 0.53 C ATOM 59 O PHE A 4 -5.941 10.837 7.359 1.00 0.56 O ATOM 60 CB PHE A 4 -7.259 12.253 9.542 1.00 0.59 C ATOM 61 CG PHE A 4 -7.859 13.417 10.275 1.00 0.73 C ATOM 62 CD1 PHE A 4 -7.658 13.572 11.636 1.00 0.79 C ATOM 63 CD2 PHE A 4 -8.621 14.358 9.601 1.00 0.96 C ATOM 64 CE1 PHE A 4 -8.203 14.646 12.311 1.00 0.98 C ATOM 65 CE2 PHE A 4 -9.170 15.432 10.272 1.00 1.11 C ATOM 66 CZ PHE A 4 -8.961 15.576 11.629 1.00 1.08 C ATOM 0 H PHE A 4 -6.233 13.610 7.371 1.00 0.54 H new ATOM 0 HA PHE A 4 -5.194 12.645 9.966 1.00 0.55 H new ATOM 0 HB2 PHE A 4 -7.874 12.027 8.671 1.00 0.59 H new ATOM 0 HB3 PHE A 4 -7.286 11.375 10.188 1.00 0.59 H new ATOM 0 HD1 PHE A 4 -7.069 12.845 12.175 1.00 0.79 H new ATOM 0 HD2 PHE A 4 -8.787 14.250 8.539 1.00 0.96 H new ATOM 0 HE1 PHE A 4 -8.036 14.758 13.372 1.00 0.98 H new ATOM 0 HE2 PHE A 4 -9.762 16.159 9.736 1.00 1.11 H new ATOM 0 HZ PHE A 4 -9.390 16.415 12.156 1.00 1.08 H new ATOM 76 N VAL A 5 -4.176 10.756 8.733 1.00 0.53 N ATOM 77 CA VAL A 5 -3.605 9.590 8.089 1.00 0.54 C ATOM 78 C VAL A 5 -3.836 8.368 8.966 1.00 0.57 C ATOM 79 O VAL A 5 -3.159 8.180 9.974 1.00 0.62 O ATOM 80 CB VAL A 5 -2.092 9.758 7.831 1.00 0.54 C ATOM 81 CG1 VAL A 5 -1.621 8.779 6.770 1.00 0.60 C ATOM 82 CG2 VAL A 5 -1.765 11.188 7.425 1.00 0.49 C ATOM 0 H VAL A 5 -3.627 11.121 9.512 1.00 0.53 H new ATOM 0 HA VAL A 5 -4.096 9.465 7.124 1.00 0.54 H new ATOM 0 HB VAL A 5 -1.563 9.542 8.759 1.00 0.54 H new ATOM 0 HG11 VAL A 5 -0.552 8.912 6.601 1.00 0.60 H new ATOM 0 HG12 VAL A 5 -1.811 7.760 7.105 1.00 0.60 H new ATOM 0 HG13 VAL A 5 -2.161 8.962 5.841 1.00 0.60 H new ATOM 0 HG21 VAL A 5 -0.693 11.280 7.249 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -2.306 11.440 6.513 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -2.062 11.869 8.222 1.00 0.49 H new ATOM 92 N LYS A 6 -4.814 7.558 8.606 1.00 0.58 N ATOM 93 CA LYS A 6 -5.134 6.369 9.379 1.00 0.61 C ATOM 94 C LYS A 6 -4.490 5.134 8.772 1.00 0.57 C ATOM 95 O LYS A 6 -4.700 4.825 7.597 1.00 0.56 O ATOM 96 CB LYS A 6 -6.647 6.179 9.451 1.00 0.68 C ATOM 97 CG LYS A 6 -7.366 7.286 10.201 1.00 0.70 C ATOM 98 CD LYS A 6 -8.877 7.117 10.140 1.00 0.83 C ATOM 99 CE LYS A 6 -9.338 5.887 10.906 1.00 1.43 C ATOM 100 NZ LYS A 6 -9.159 6.042 12.374 1.00 1.82 N ATOM 0 H LYS A 6 -5.401 7.700 7.784 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.739 6.505 10.386 1.00 0.61 H new ATOM 0 HB2 LYS A 6 -7.046 6.120 8.438 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -6.862 5.226 9.934 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -7.042 7.291 11.242 1.00 0.70 H new ATOM 0 HG3 LYS A 6 -7.090 8.252 9.777 1.00 0.70 H new ATOM 0 HD2 LYS A 6 -9.359 8.004 10.552 1.00 0.83 H new ATOM 0 HD3 LYS A 6 -9.192 7.037 9.100 1.00 0.83 H new ATOM 0 HE2 LYS A 6 -10.389 5.697 10.688 1.00 1.43 H new ATOM 0 HE3 LYS A 6 -8.779 5.016 10.563 1.00 1.43 H new ATOM 0 HZ1 LYS A 6 -9.422 5.156 12.851 1.00 1.82 H new ATOM 0 HZ2 LYS A 6 -8.164 6.264 12.581 1.00 1.82 H new ATOM 0 HZ3 LYS A 6 -9.765 6.814 12.718 1.00 1.82 H new ATOM 114 N THR A 7 -3.714 4.432 9.575 1.00 0.59 N ATOM 115 CA THR A 7 -3.050 3.223 9.127 1.00 0.58 C ATOM 116 C THR A 7 -4.025 2.057 9.163 1.00 0.61 C ATOM 117 O THR A 7 -5.030 2.101 9.878 1.00 0.67 O ATOM 118 CB THR A 7 -1.835 2.885 10.015 1.00 0.60 C ATOM 119 OG1 THR A 7 -2.265 2.624 11.356 1.00 1.25 O ATOM 120 CG2 THR A 7 -0.824 4.021 10.015 1.00 0.94 C ATOM 0 H THR A 7 -3.527 4.680 10.547 1.00 0.59 H new ATOM 0 HA THR A 7 -2.701 3.394 8.109 1.00 0.58 H new ATOM 0 HB THR A 7 -1.355 1.996 9.606 1.00 0.60 H new ATOM 0 HG1 THR A 7 -1.518 2.256 11.873 1.00 1.25 H new ATOM 0 HG21 THR A 7 0.022 3.755 10.649 1.00 0.94 H new ATOM 0 HG22 THR A 7 -0.474 4.197 8.998 1.00 0.94 H new ATOM 0 HG23 THR A 7 -1.294 4.927 10.398 1.00 0.94 H new ATOM 128 N LEU A 8 -3.739 1.017 8.397 1.00 0.63 N ATOM 129 CA LEU A 8 -4.598 -0.156 8.377 1.00 0.69 C ATOM 130 C LEU A 8 -4.301 -1.037 9.586 1.00 0.72 C ATOM 131 O LEU A 8 -4.995 -2.022 9.844 1.00 0.82 O ATOM 132 CB LEU A 8 -4.421 -0.942 7.075 1.00 0.78 C ATOM 133 CG LEU A 8 -5.056 -0.295 5.839 1.00 0.95 C ATOM 134 CD1 LEU A 8 -4.796 -1.137 4.602 1.00 1.58 C ATOM 135 CD2 LEU A 8 -6.553 -0.102 6.043 1.00 1.89 C ATOM 0 H LEU A 8 -2.925 0.960 7.785 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.636 0.172 8.428 1.00 0.69 H new ATOM 0 HB2 LEU A 8 -3.355 -1.075 6.890 1.00 0.78 H new ATOM 0 HB3 LEU A 8 -4.848 -1.936 7.207 1.00 0.78 H new ATOM 0 HG LEU A 8 -4.598 0.684 5.694 1.00 0.95 H new ATOM 0 HD11 LEU A 8 -5.255 -0.661 3.735 1.00 1.58 H new ATOM 0 HD12 LEU A 8 -3.722 -1.225 4.441 1.00 1.58 H new ATOM 0 HD13 LEU A 8 -5.225 -2.129 4.741 1.00 1.58 H new ATOM 0 HD21 LEU A 8 -6.985 0.359 5.154 1.00 1.89 H new ATOM 0 HD22 LEU A 8 -7.024 -1.069 6.216 1.00 1.89 H new ATOM 0 HD23 LEU A 8 -6.723 0.543 6.905 1.00 1.89 H new ATOM 147 N THR A 9 -3.260 -0.667 10.324 1.00 0.67 N ATOM 148 CA THR A 9 -2.860 -1.395 11.515 1.00 0.72 C ATOM 149 C THR A 9 -3.762 -1.024 12.690 1.00 0.79 C ATOM 150 O THR A 9 -4.100 -1.870 13.519 1.00 0.93 O ATOM 151 CB THR A 9 -1.395 -1.092 11.869 1.00 0.67 C ATOM 152 OG1 THR A 9 -0.770 -0.408 10.771 1.00 1.02 O ATOM 153 CG2 THR A 9 -0.632 -2.371 12.174 1.00 0.80 C ATOM 0 H THR A 9 -2.675 0.141 10.112 1.00 0.67 H new ATOM 0 HA THR A 9 -2.958 -2.461 11.312 1.00 0.72 H new ATOM 0 HB THR A 9 -1.377 -0.462 12.758 1.00 0.67 H new ATOM 0 HG1 THR A 9 -0.651 -1.030 10.023 1.00 1.02 H new ATOM 0 HG21 THR A 9 0.401 -2.128 12.421 1.00 0.80 H new ATOM 0 HG22 THR A 9 -1.097 -2.880 13.018 1.00 0.80 H new ATOM 0 HG23 THR A 9 -0.652 -3.024 11.301 1.00 0.80 H new ATOM 161 N GLY A 10 -4.160 0.244 12.746 1.00 0.77 N ATOM 162 CA GLY A 10 -5.029 0.697 13.814 1.00 0.89 C ATOM 163 C GLY A 10 -4.522 1.952 14.497 1.00 0.91 C ATOM 164 O GLY A 10 -4.726 2.135 15.699 1.00 1.31 O ATOM 0 H GLY A 10 -3.896 0.963 12.072 1.00 0.77 H new ATOM 0 HA2 GLY A 10 -6.024 0.886 13.410 1.00 0.89 H new ATOM 0 HA3 GLY A 10 -5.131 -0.097 14.554 1.00 0.89 H new ATOM 168 N LYS A 11 -3.866 2.821 13.740 1.00 0.91 N ATOM 169 CA LYS A 11 -3.339 4.060 14.293 1.00 0.92 C ATOM 170 C LYS A 11 -3.742 5.249 13.433 1.00 0.82 C ATOM 171 O LYS A 11 -3.691 5.189 12.204 1.00 0.78 O ATOM 172 CB LYS A 11 -1.814 3.991 14.394 1.00 0.92 C ATOM 173 CG LYS A 11 -1.186 5.228 15.021 1.00 1.03 C ATOM 174 CD LYS A 11 0.112 5.611 14.328 1.00 1.32 C ATOM 175 CE LYS A 11 1.232 4.636 14.647 1.00 1.41 C ATOM 176 NZ LYS A 11 1.750 4.820 16.027 1.00 1.51 N ATOM 0 H LYS A 11 -3.687 2.691 12.744 1.00 0.91 H new ATOM 0 HA LYS A 11 -3.759 4.190 15.290 1.00 0.92 H new ATOM 0 HB2 LYS A 11 -1.537 3.116 14.982 1.00 0.92 H new ATOM 0 HB3 LYS A 11 -1.399 3.849 13.396 1.00 0.92 H new ATOM 0 HG2 LYS A 11 -1.888 6.060 14.966 1.00 1.03 H new ATOM 0 HG3 LYS A 11 -0.994 5.043 16.078 1.00 1.03 H new ATOM 0 HD2 LYS A 11 -0.047 5.642 13.250 1.00 1.32 H new ATOM 0 HD3 LYS A 11 0.406 6.615 14.635 1.00 1.32 H new ATOM 0 HE2 LYS A 11 0.869 3.615 14.528 1.00 1.41 H new ATOM 0 HE3 LYS A 11 2.045 4.770 13.933 1.00 1.41 H new ATOM 0 HZ1 LYS A 11 2.719 4.446 16.087 1.00 1.51 H new ATOM 0 HZ2 LYS A 11 1.754 5.833 16.264 1.00 1.51 H new ATOM 0 HZ3 LYS A 11 1.140 4.310 16.698 1.00 1.51 H new ATOM 190 N THR A 12 -4.154 6.323 14.079 1.00 0.80 N ATOM 191 CA THR A 12 -4.545 7.529 13.381 1.00 0.74 C ATOM 192 C THR A 12 -3.508 8.622 13.624 1.00 0.75 C ATOM 193 O THR A 12 -3.138 8.894 14.767 1.00 0.79 O ATOM 194 CB THR A 12 -5.935 8.012 13.839 1.00 0.70 C ATOM 195 OG1 THR A 12 -6.888 6.944 13.704 1.00 0.74 O ATOM 196 CG2 THR A 12 -6.393 9.221 13.033 1.00 0.70 C ATOM 0 H THR A 12 -4.226 6.383 15.095 1.00 0.80 H new ATOM 0 HA THR A 12 -4.599 7.306 12.315 1.00 0.74 H new ATOM 0 HB THR A 12 -5.865 8.311 14.885 1.00 0.70 H new ATOM 0 HG1 THR A 12 -7.727 7.197 14.142 1.00 0.74 H new ATOM 0 HG21 THR A 12 -7.377 9.538 13.380 1.00 0.70 H new ATOM 0 HG22 THR A 12 -5.682 10.036 13.164 1.00 0.70 H new ATOM 0 HG23 THR A 12 -6.449 8.955 11.978 1.00 0.70 H new ATOM 204 N ILE A 13 -3.031 9.229 12.548 1.00 0.77 N ATOM 205 CA ILE A 13 -2.033 10.281 12.643 1.00 0.85 C ATOM 206 C ILE A 13 -2.640 11.612 12.222 1.00 0.75 C ATOM 207 O ILE A 13 -3.285 11.708 11.177 1.00 0.68 O ATOM 208 CB ILE A 13 -0.801 9.983 11.762 1.00 1.03 C ATOM 209 CG1 ILE A 13 -0.366 8.521 11.920 1.00 1.10 C ATOM 210 CG2 ILE A 13 0.344 10.918 12.122 1.00 1.31 C ATOM 211 CD1 ILE A 13 0.594 8.055 10.847 1.00 1.24 C ATOM 0 H ILE A 13 -3.321 9.009 11.595 1.00 0.77 H new ATOM 0 HA ILE A 13 -1.706 10.330 13.682 1.00 0.85 H new ATOM 0 HB ILE A 13 -1.074 10.150 10.720 1.00 1.03 H new ATOM 0 HG12 ILE A 13 0.103 8.394 12.896 1.00 1.10 H new ATOM 0 HG13 ILE A 13 -1.250 7.884 11.906 1.00 1.10 H new ATOM 0 HG21 ILE A 13 1.206 10.696 11.493 1.00 1.31 H new ATOM 0 HG22 ILE A 13 0.034 11.951 11.963 1.00 1.31 H new ATOM 0 HG23 ILE A 13 0.613 10.777 13.169 1.00 1.31 H new ATOM 0 HD11 ILE A 13 0.858 7.012 11.023 1.00 1.24 H new ATOM 0 HD12 ILE A 13 0.121 8.150 9.870 1.00 1.24 H new ATOM 0 HD13 ILE A 13 1.495 8.667 10.875 1.00 1.24 H new ATOM 223 N THR A 14 -2.439 12.630 13.038 1.00 0.80 N ATOM 224 CA THR A 14 -2.974 13.951 12.756 1.00 0.79 C ATOM 225 C THR A 14 -1.843 14.973 12.683 1.00 0.78 C ATOM 226 O THR A 14 -1.175 15.239 13.682 1.00 0.84 O ATOM 227 CB THR A 14 -3.988 14.368 13.837 1.00 0.91 C ATOM 228 OG1 THR A 14 -4.827 13.251 14.166 1.00 1.31 O ATOM 229 CG2 THR A 14 -4.847 15.528 13.364 1.00 1.07 C ATOM 0 H THR A 14 -1.907 12.568 13.906 1.00 0.80 H new ATOM 0 HA THR A 14 -3.485 13.916 11.794 1.00 0.79 H new ATOM 0 HB THR A 14 -3.435 14.689 14.720 1.00 0.91 H new ATOM 0 HG1 THR A 14 -5.471 13.517 14.855 1.00 1.31 H new ATOM 0 HG21 THR A 14 -5.554 15.801 14.148 1.00 1.07 H new ATOM 0 HG22 THR A 14 -4.210 16.383 13.136 1.00 1.07 H new ATOM 0 HG23 THR A 14 -5.394 15.234 12.468 1.00 1.07 H new ATOM 237 N LEU A 15 -1.626 15.536 11.501 1.00 0.73 N ATOM 238 CA LEU A 15 -0.561 16.514 11.315 1.00 0.75 C ATOM 239 C LEU A 15 -1.057 17.740 10.560 1.00 0.77 C ATOM 240 O LEU A 15 -2.090 17.696 9.886 1.00 0.77 O ATOM 241 CB LEU A 15 0.607 15.890 10.543 1.00 0.73 C ATOM 242 CG LEU A 15 1.357 14.769 11.266 1.00 0.73 C ATOM 243 CD1 LEU A 15 2.225 13.995 10.285 1.00 0.78 C ATOM 244 CD2 LEU A 15 2.209 15.334 12.392 1.00 0.91 C ATOM 0 H LEU A 15 -2.169 15.334 10.662 1.00 0.73 H new ATOM 0 HA LEU A 15 -0.227 16.824 12.305 1.00 0.75 H new ATOM 0 HB2 LEU A 15 0.227 15.498 9.600 1.00 0.73 H new ATOM 0 HB3 LEU A 15 1.318 16.678 10.297 1.00 0.73 H new ATOM 0 HG LEU A 15 0.624 14.088 11.697 1.00 0.73 H new ATOM 0 HD11 LEU A 15 2.752 13.201 10.814 1.00 0.78 H new ATOM 0 HD12 LEU A 15 1.596 13.559 9.509 1.00 0.78 H new ATOM 0 HD13 LEU A 15 2.949 14.670 9.829 1.00 0.78 H new ATOM 0 HD21 LEU A 15 2.734 14.521 12.894 1.00 0.91 H new ATOM 0 HD22 LEU A 15 2.935 16.036 11.982 1.00 0.91 H new ATOM 0 HD23 LEU A 15 1.570 15.850 13.108 1.00 0.91 H new ATOM 256 N GLU A 16 -0.309 18.829 10.681 1.00 0.80 N ATOM 257 CA GLU A 16 -0.634 20.076 10.003 1.00 0.83 C ATOM 258 C GLU A 16 0.337 20.301 8.848 1.00 0.78 C ATOM 259 O GLU A 16 1.391 20.923 9.011 1.00 0.84 O ATOM 260 CB GLU A 16 -0.579 21.246 10.986 1.00 0.95 C ATOM 261 CG GLU A 16 -1.949 21.749 11.415 1.00 1.01 C ATOM 262 CD GLU A 16 -2.616 22.600 10.353 1.00 1.06 C ATOM 263 OE1 GLU A 16 -1.955 22.941 9.351 1.00 1.08 O ATOM 264 OE2 GLU A 16 -3.809 22.938 10.515 1.00 1.17 O ATOM 0 H GLU A 16 0.537 18.873 11.250 1.00 0.80 H new ATOM 0 HA GLU A 16 -1.647 20.012 9.606 1.00 0.83 H new ATOM 0 HB2 GLU A 16 -0.021 20.940 11.871 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -0.027 22.067 10.529 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -2.588 20.897 11.647 1.00 1.01 H new ATOM 0 HG3 GLU A 16 -1.848 22.331 12.331 1.00 1.01 H new ATOM 271 N VAL A 17 -0.007 19.765 7.691 1.00 0.70 N ATOM 272 CA VAL A 17 0.832 19.886 6.507 1.00 0.68 C ATOM 273 C VAL A 17 0.404 21.058 5.627 1.00 0.72 C ATOM 274 O VAL A 17 -0.534 21.786 5.948 1.00 0.76 O ATOM 275 CB VAL A 17 0.788 18.593 5.669 1.00 0.60 C ATOM 276 CG1 VAL A 17 1.365 17.424 6.452 1.00 0.57 C ATOM 277 CG2 VAL A 17 -0.635 18.293 5.222 1.00 0.58 C ATOM 0 H VAL A 17 -0.867 19.238 7.543 1.00 0.70 H new ATOM 0 HA VAL A 17 1.848 20.063 6.859 1.00 0.68 H new ATOM 0 HB VAL A 17 1.401 18.741 4.780 1.00 0.60 H new ATOM 0 HG11 VAL A 17 1.324 16.522 5.842 1.00 0.57 H new ATOM 0 HG12 VAL A 17 2.401 17.638 6.714 1.00 0.57 H new ATOM 0 HG13 VAL A 17 0.784 17.273 7.362 1.00 0.57 H new ATOM 0 HG21 VAL A 17 -0.645 17.377 4.632 1.00 0.58 H new ATOM 0 HG22 VAL A 17 -1.273 18.168 6.097 1.00 0.58 H new ATOM 0 HG23 VAL A 17 -1.008 19.119 4.616 1.00 0.58 H new ATOM 287 N GLU A 18 1.099 21.227 4.514 1.00 0.73 N ATOM 288 CA GLU A 18 0.795 22.295 3.573 1.00 0.78 C ATOM 289 C GLU A 18 0.134 21.703 2.337 1.00 0.76 C ATOM 290 O GLU A 18 0.342 20.533 2.030 1.00 0.72 O ATOM 291 CB GLU A 18 2.073 23.031 3.163 1.00 0.86 C ATOM 292 CG GLU A 18 2.930 23.476 4.333 1.00 0.94 C ATOM 293 CD GLU A 18 3.957 24.510 3.929 1.00 1.06 C ATOM 294 OE1 GLU A 18 5.004 24.128 3.365 1.00 1.25 O ATOM 295 OE2 GLU A 18 3.721 25.715 4.169 1.00 1.18 O ATOM 0 H GLU A 18 1.882 20.635 4.238 1.00 0.73 H new ATOM 0 HA GLU A 18 0.121 23.005 4.053 1.00 0.78 H new ATOM 0 HB2 GLU A 18 2.665 22.380 2.519 1.00 0.86 H new ATOM 0 HB3 GLU A 18 1.803 23.905 2.570 1.00 0.86 H new ATOM 0 HG2 GLU A 18 2.290 23.888 5.114 1.00 0.94 H new ATOM 0 HG3 GLU A 18 3.437 22.610 4.760 1.00 0.94 H new ATOM 302 N PRO A 19 -0.681 22.482 1.612 1.00 0.80 N ATOM 303 CA PRO A 19 -1.344 21.992 0.402 1.00 0.82 C ATOM 304 C PRO A 19 -0.331 21.586 -0.667 1.00 0.86 C ATOM 305 O PRO A 19 -0.554 20.647 -1.428 1.00 0.87 O ATOM 306 CB PRO A 19 -2.184 23.187 -0.067 1.00 0.87 C ATOM 307 CG PRO A 19 -1.580 24.374 0.601 1.00 0.91 C ATOM 308 CD PRO A 19 -1.037 23.879 1.911 1.00 0.88 C ATOM 0 HA PRO A 19 -1.942 21.100 0.590 1.00 0.82 H new ATOM 0 HB2 PRO A 19 -2.154 23.288 -1.152 1.00 0.87 H new ATOM 0 HB3 PRO A 19 -3.230 23.067 0.213 1.00 0.87 H new ATOM 0 HG2 PRO A 19 -0.788 24.806 -0.011 1.00 0.91 H new ATOM 0 HG3 PRO A 19 -2.324 25.155 0.757 1.00 0.91 H new ATOM 0 HD2 PRO A 19 -0.171 24.457 2.233 1.00 0.88 H new ATOM 0 HD3 PRO A 19 -1.779 23.946 2.707 1.00 0.88 H new ATOM 316 N SER A 20 0.796 22.283 -0.694 1.00 0.92 N ATOM 317 CA SER A 20 1.843 22.004 -1.663 1.00 1.00 C ATOM 318 C SER A 20 2.921 21.101 -1.067 1.00 0.92 C ATOM 319 O SER A 20 4.002 20.954 -1.639 1.00 0.94 O ATOM 320 CB SER A 20 2.458 23.318 -2.140 1.00 1.18 C ATOM 321 OG SER A 20 1.450 24.288 -2.375 1.00 1.24 O ATOM 0 H SER A 20 1.008 23.048 -0.053 1.00 0.92 H new ATOM 0 HA SER A 20 1.401 21.479 -2.510 1.00 1.00 H new ATOM 0 HB2 SER A 20 3.160 23.689 -1.393 1.00 1.18 H new ATOM 0 HB3 SER A 20 3.026 23.148 -3.054 1.00 1.18 H new ATOM 0 HG SER A 20 1.864 25.123 -2.678 1.00 1.24 H new ATOM 327 N ASP A 21 2.627 20.497 0.081 1.00 0.85 N ATOM 328 CA ASP A 21 3.577 19.605 0.739 1.00 0.80 C ATOM 329 C ASP A 21 3.788 18.351 -0.103 1.00 0.75 C ATOM 330 O ASP A 21 2.825 17.723 -0.554 1.00 0.73 O ATOM 331 CB ASP A 21 3.081 19.208 2.136 1.00 0.75 C ATOM 332 CG ASP A 21 4.025 19.632 3.248 1.00 0.65 C ATOM 333 OD1 ASP A 21 5.235 19.786 2.986 1.00 0.82 O ATOM 334 OD2 ASP A 21 3.556 19.815 4.397 1.00 0.69 O ATOM 0 H ASP A 21 1.741 20.608 0.574 1.00 0.85 H new ATOM 0 HA ASP A 21 4.523 20.137 0.844 1.00 0.80 H new ATOM 0 HB2 ASP A 21 2.102 19.656 2.308 1.00 0.75 H new ATOM 0 HB3 ASP A 21 2.948 18.127 2.174 1.00 0.75 H new ATOM 339 N THR A 22 5.044 18.010 -0.339 1.00 0.76 N ATOM 340 CA THR A 22 5.387 16.829 -1.111 1.00 0.74 C ATOM 341 C THR A 22 5.147 15.573 -0.274 1.00 0.67 C ATOM 342 O THR A 22 5.332 15.594 0.943 1.00 0.65 O ATOM 343 CB THR A 22 6.863 16.880 -1.547 1.00 0.80 C ATOM 344 OG1 THR A 22 7.286 18.245 -1.653 1.00 0.85 O ATOM 345 CG2 THR A 22 7.067 16.177 -2.882 1.00 1.02 C ATOM 0 H THR A 22 5.848 18.540 -0.003 1.00 0.76 H new ATOM 0 HA THR A 22 4.756 16.802 -2.000 1.00 0.74 H new ATOM 0 HB THR A 22 7.460 16.364 -0.795 1.00 0.80 H new ATOM 0 HG1 THR A 22 8.226 18.276 -1.929 1.00 0.85 H new ATOM 0 HG21 THR A 22 8.119 16.229 -3.164 1.00 1.02 H new ATOM 0 HG22 THR A 22 6.767 15.133 -2.793 1.00 1.02 H new ATOM 0 HG23 THR A 22 6.462 16.665 -3.646 1.00 1.02 H new ATOM 353 N ILE A 23 4.734 14.486 -0.923 1.00 0.65 N ATOM 354 CA ILE A 23 4.472 13.222 -0.232 1.00 0.59 C ATOM 355 C ILE A 23 5.686 12.788 0.592 1.00 0.58 C ATOM 356 O ILE A 23 5.552 12.309 1.722 1.00 0.54 O ATOM 357 CB ILE A 23 4.094 12.105 -1.230 1.00 0.62 C ATOM 358 CG1 ILE A 23 2.843 12.497 -2.027 1.00 0.67 C ATOM 359 CG2 ILE A 23 3.871 10.782 -0.508 1.00 0.55 C ATOM 360 CD1 ILE A 23 1.626 12.776 -1.168 1.00 0.63 C ATOM 0 H ILE A 23 4.573 14.454 -1.930 1.00 0.65 H new ATOM 0 HA ILE A 23 3.629 13.388 0.439 1.00 0.59 H new ATOM 0 HB ILE A 23 4.924 11.977 -1.925 1.00 0.62 H new ATOM 0 HG12 ILE A 23 3.066 13.383 -2.621 1.00 0.67 H new ATOM 0 HG13 ILE A 23 2.605 11.696 -2.727 1.00 0.67 H new ATOM 0 HG21 ILE A 23 3.606 10.012 -1.233 1.00 0.55 H new ATOM 0 HG22 ILE A 23 4.784 10.492 0.011 1.00 0.55 H new ATOM 0 HG23 ILE A 23 3.063 10.894 0.215 1.00 0.55 H new ATOM 0 HD11 ILE A 23 0.785 13.046 -1.806 1.00 0.63 H new ATOM 0 HD12 ILE A 23 1.374 11.885 -0.593 1.00 0.63 H new ATOM 0 HD13 ILE A 23 1.843 13.598 -0.486 1.00 0.63 H new ATOM 372 N GLU A 24 6.871 12.982 0.023 1.00 0.64 N ATOM 373 CA GLU A 24 8.117 12.632 0.697 1.00 0.67 C ATOM 374 C GLU A 24 8.275 13.437 1.991 1.00 0.65 C ATOM 375 O GLU A 24 8.811 12.940 2.981 1.00 0.65 O ATOM 376 CB GLU A 24 9.306 12.876 -0.236 1.00 0.78 C ATOM 377 CG GLU A 24 10.616 12.293 0.274 1.00 0.94 C ATOM 378 CD GLU A 24 10.560 10.791 0.476 1.00 1.68 C ATOM 379 OE1 GLU A 24 9.934 10.095 -0.351 1.00 2.11 O ATOM 380 OE2 GLU A 24 11.150 10.295 1.458 1.00 2.16 O ATOM 0 H GLU A 24 6.995 13.381 -0.907 1.00 0.64 H new ATOM 0 HA GLU A 24 8.087 11.574 0.957 1.00 0.67 H new ATOM 0 HB2 GLU A 24 9.084 12.446 -1.213 1.00 0.78 H new ATOM 0 HB3 GLU A 24 9.428 13.949 -0.380 1.00 0.78 H new ATOM 0 HG2 GLU A 24 11.411 12.529 -0.433 1.00 0.94 H new ATOM 0 HG3 GLU A 24 10.876 12.771 1.218 1.00 0.94 H new ATOM 387 N ASN A 25 7.781 14.672 1.982 1.00 0.66 N ATOM 388 CA ASN A 25 7.869 15.539 3.154 1.00 0.68 C ATOM 389 C ASN A 25 6.809 15.149 4.179 1.00 0.62 C ATOM 390 O ASN A 25 7.015 15.288 5.383 1.00 0.65 O ATOM 391 CB ASN A 25 7.701 17.012 2.767 1.00 0.72 C ATOM 392 CG ASN A 25 8.248 17.951 3.827 1.00 0.79 C ATOM 393 OD1 ASN A 25 9.277 17.675 4.447 1.00 0.86 O ATOM 394 ND2 ASN A 25 7.565 19.060 4.055 1.00 0.83 N ATOM 0 H ASN A 25 7.317 15.095 1.178 1.00 0.66 H new ATOM 0 HA ASN A 25 8.859 15.411 3.592 1.00 0.68 H new ATOM 0 HB2 ASN A 25 8.211 17.198 1.822 1.00 0.72 H new ATOM 0 HB3 ASN A 25 6.644 17.225 2.606 1.00 0.72 H new ATOM 0 HD21 ASN A 25 7.886 19.720 4.764 1.00 0.83 H new ATOM 0 HD22 ASN A 25 6.717 19.256 3.522 1.00 0.83 H new ATOM 401 N VAL A 26 5.667 14.670 3.695 1.00 0.55 N ATOM 402 CA VAL A 26 4.591 14.236 4.575 1.00 0.51 C ATOM 403 C VAL A 26 5.080 13.067 5.424 1.00 0.50 C ATOM 404 O VAL A 26 4.886 13.037 6.642 1.00 0.51 O ATOM 405 CB VAL A 26 3.335 13.814 3.779 1.00 0.49 C ATOM 406 CG1 VAL A 26 2.237 13.329 4.715 1.00 0.48 C ATOM 407 CG2 VAL A 26 2.834 14.965 2.921 1.00 0.50 C ATOM 0 H VAL A 26 5.465 14.573 2.700 1.00 0.55 H new ATOM 0 HA VAL A 26 4.311 15.075 5.212 1.00 0.51 H new ATOM 0 HB VAL A 26 3.611 12.989 3.123 1.00 0.49 H new ATOM 0 HG11 VAL A 26 1.364 13.038 4.131 1.00 0.48 H new ATOM 0 HG12 VAL A 26 2.596 12.471 5.283 1.00 0.48 H new ATOM 0 HG13 VAL A 26 1.964 14.130 5.401 1.00 0.48 H new ATOM 0 HG21 VAL A 26 1.949 14.649 2.368 1.00 0.50 H new ATOM 0 HG22 VAL A 26 2.580 15.811 3.560 1.00 0.50 H new ATOM 0 HG23 VAL A 26 3.613 15.262 2.219 1.00 0.50 H new ATOM 417 N LYS A 27 5.745 12.123 4.761 1.00 0.50 N ATOM 418 CA LYS A 27 6.303 10.954 5.432 1.00 0.50 C ATOM 419 C LYS A 27 7.370 11.395 6.422 1.00 0.55 C ATOM 420 O LYS A 27 7.509 10.822 7.504 1.00 0.55 O ATOM 421 CB LYS A 27 6.914 9.987 4.413 1.00 0.52 C ATOM 422 CG LYS A 27 5.909 9.401 3.432 1.00 0.52 C ATOM 423 CD LYS A 27 6.568 8.414 2.477 1.00 0.69 C ATOM 424 CE LYS A 27 7.571 9.103 1.569 1.00 1.00 C ATOM 425 NZ LYS A 27 8.222 8.154 0.632 1.00 1.16 N ATOM 0 H LYS A 27 5.910 12.147 3.755 1.00 0.50 H new ATOM 0 HA LYS A 27 5.501 10.440 5.962 1.00 0.50 H new ATOM 0 HB2 LYS A 27 7.690 10.509 3.853 1.00 0.52 H new ATOM 0 HB3 LYS A 27 7.401 9.172 4.948 1.00 0.52 H new ATOM 0 HG2 LYS A 27 5.113 8.900 3.982 1.00 0.52 H new ATOM 0 HG3 LYS A 27 5.445 10.206 2.862 1.00 0.52 H new ATOM 0 HD2 LYS A 27 7.070 7.633 3.048 1.00 0.69 H new ATOM 0 HD3 LYS A 27 5.804 7.926 1.872 1.00 0.69 H new ATOM 0 HE2 LYS A 27 7.067 9.884 1.000 1.00 1.00 H new ATOM 0 HE3 LYS A 27 8.333 9.592 2.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 8.835 8.679 -0.024 1.00 1.16 H new ATOM 0 HZ2 LYS A 27 8.794 7.473 1.170 1.00 1.16 H new ATOM 0 HZ3 LYS A 27 7.494 7.644 0.092 1.00 1.16 H new ATOM 439 N ALA A 28 8.118 12.424 6.031 1.00 0.62 N ATOM 440 CA ALA A 28 9.173 12.980 6.864 1.00 0.69 C ATOM 441 C ALA A 28 8.599 13.499 8.175 1.00 0.71 C ATOM 442 O ALA A 28 9.181 13.300 9.241 1.00 0.76 O ATOM 443 CB ALA A 28 9.905 14.093 6.126 1.00 0.76 C ATOM 0 H ALA A 28 8.008 12.892 5.131 1.00 0.62 H new ATOM 0 HA ALA A 28 9.887 12.188 7.089 1.00 0.69 H new ATOM 0 HB1 ALA A 28 10.691 14.497 6.764 1.00 0.76 H new ATOM 0 HB2 ALA A 28 10.348 13.694 5.213 1.00 0.76 H new ATOM 0 HB3 ALA A 28 9.201 14.885 5.871 1.00 0.76 H new ATOM 449 N LYS A 29 7.450 14.156 8.093 1.00 0.69 N ATOM 450 CA LYS A 29 6.797 14.687 9.278 1.00 0.73 C ATOM 451 C LYS A 29 6.380 13.541 10.193 1.00 0.72 C ATOM 452 O LYS A 29 6.647 13.573 11.395 1.00 0.81 O ATOM 453 CB LYS A 29 5.608 15.572 8.890 1.00 0.71 C ATOM 454 CG LYS A 29 6.045 16.913 8.320 1.00 0.75 C ATOM 455 CD LYS A 29 4.873 17.760 7.863 1.00 0.69 C ATOM 456 CE LYS A 29 5.350 19.129 7.391 1.00 0.68 C ATOM 457 NZ LYS A 29 4.226 20.022 7.008 1.00 0.89 N ATOM 0 H LYS A 29 6.953 14.333 7.220 1.00 0.69 H new ATOM 0 HA LYS A 29 7.498 15.317 9.825 1.00 0.73 H new ATOM 0 HB2 LYS A 29 4.995 15.050 8.155 1.00 0.71 H new ATOM 0 HB3 LYS A 29 4.982 15.739 9.766 1.00 0.71 H new ATOM 0 HG2 LYS A 29 6.610 17.458 9.076 1.00 0.75 H new ATOM 0 HG3 LYS A 29 6.717 16.745 7.479 1.00 0.75 H new ATOM 0 HD2 LYS A 29 4.346 17.254 7.054 1.00 0.69 H new ATOM 0 HD3 LYS A 29 4.163 17.879 8.681 1.00 0.69 H new ATOM 0 HE2 LYS A 29 5.931 19.601 8.183 1.00 0.68 H new ATOM 0 HE3 LYS A 29 6.017 19.004 6.538 1.00 0.68 H new ATOM 0 HZ1 LYS A 29 4.594 20.970 6.792 1.00 0.89 H new ATOM 0 HZ2 LYS A 29 3.747 19.637 6.169 1.00 0.89 H new ATOM 0 HZ3 LYS A 29 3.549 20.084 7.795 1.00 0.89 H new ATOM 471 N ILE A 30 5.719 12.533 9.628 1.00 0.64 N ATOM 472 CA ILE A 30 5.324 11.356 10.398 1.00 0.64 C ATOM 473 C ILE A 30 6.558 10.725 11.044 1.00 0.72 C ATOM 474 O ILE A 30 6.536 10.337 12.212 1.00 0.80 O ATOM 475 CB ILE A 30 4.611 10.312 9.509 1.00 0.54 C ATOM 476 CG1 ILE A 30 3.356 10.926 8.879 1.00 0.52 C ATOM 477 CG2 ILE A 30 4.255 9.069 10.317 1.00 0.58 C ATOM 478 CD1 ILE A 30 2.651 10.014 7.895 1.00 0.46 C ATOM 0 H ILE A 30 5.447 12.507 8.645 1.00 0.64 H new ATOM 0 HA ILE A 30 4.624 11.677 11.170 1.00 0.64 H new ATOM 0 HB ILE A 30 5.290 10.012 8.711 1.00 0.54 H new ATOM 0 HG12 ILE A 30 2.659 11.196 9.672 1.00 0.52 H new ATOM 0 HG13 ILE A 30 3.632 11.849 8.369 1.00 0.52 H new ATOM 0 HG21 ILE A 30 3.754 8.347 9.672 1.00 0.58 H new ATOM 0 HG22 ILE A 30 5.165 8.625 10.721 1.00 0.58 H new ATOM 0 HG23 ILE A 30 3.591 9.345 11.136 1.00 0.58 H new ATOM 0 HD11 ILE A 30 1.774 10.521 7.493 1.00 0.46 H new ATOM 0 HD12 ILE A 30 3.330 9.764 7.080 1.00 0.46 H new ATOM 0 HD13 ILE A 30 2.342 9.101 8.403 1.00 0.46 H new ATOM 490 N GLN A 31 7.621 10.614 10.253 1.00 0.71 N ATOM 491 CA GLN A 31 8.896 10.076 10.721 1.00 0.82 C ATOM 492 C GLN A 31 9.387 10.829 11.958 1.00 0.93 C ATOM 493 O GLN A 31 9.942 10.234 12.876 1.00 1.01 O ATOM 494 CB GLN A 31 9.942 10.163 9.609 1.00 0.84 C ATOM 495 CG GLN A 31 11.339 9.744 10.041 1.00 0.97 C ATOM 496 CD GLN A 31 12.378 10.003 8.970 1.00 1.04 C ATOM 497 OE1 GLN A 31 12.228 10.909 8.150 1.00 1.01 O ATOM 498 NE2 GLN A 31 13.435 9.206 8.964 1.00 1.18 N ATOM 0 H GLN A 31 7.624 10.893 9.272 1.00 0.71 H new ATOM 0 HA GLN A 31 8.745 9.031 10.993 1.00 0.82 H new ATOM 0 HB2 GLN A 31 9.626 9.534 8.777 1.00 0.84 H new ATOM 0 HB3 GLN A 31 9.979 11.187 9.238 1.00 0.84 H new ATOM 0 HG2 GLN A 31 11.613 10.284 10.947 1.00 0.97 H new ATOM 0 HG3 GLN A 31 11.336 8.683 10.291 1.00 0.97 H new ATOM 0 HE21 GLN A 31 13.520 8.467 9.662 1.00 1.18 H new ATOM 0 HE22 GLN A 31 14.164 9.331 8.262 1.00 1.18 H new ATOM 507 N ASP A 32 9.182 12.139 11.975 1.00 0.95 N ATOM 508 CA ASP A 32 9.603 12.960 13.108 1.00 1.08 C ATOM 509 C ASP A 32 8.690 12.744 14.310 1.00 1.10 C ATOM 510 O ASP A 32 9.130 12.821 15.459 1.00 1.19 O ATOM 511 CB ASP A 32 9.609 14.441 12.722 1.00 1.15 C ATOM 512 CG ASP A 32 10.998 15.050 12.763 1.00 1.10 C ATOM 513 OD1 ASP A 32 11.700 15.007 11.731 1.00 1.51 O ATOM 514 OD2 ASP A 32 11.395 15.574 13.824 1.00 1.24 O ATOM 0 H ASP A 32 8.729 12.657 11.222 1.00 0.95 H new ATOM 0 HA ASP A 32 10.614 12.658 13.382 1.00 1.08 H new ATOM 0 HB2 ASP A 32 9.197 14.553 11.719 1.00 1.15 H new ATOM 0 HB3 ASP A 32 8.955 14.991 13.398 1.00 1.15 H new ATOM 519 N LYS A 33 7.419 12.480 14.044 1.00 1.04 N ATOM 520 CA LYS A 33 6.444 12.254 15.100 1.00 1.08 C ATOM 521 C LYS A 33 6.463 10.799 15.586 1.00 1.05 C ATOM 522 O LYS A 33 7.077 10.485 16.607 1.00 1.11 O ATOM 523 CB LYS A 33 5.043 12.639 14.604 1.00 1.05 C ATOM 524 CG LYS A 33 3.914 12.273 15.558 1.00 1.11 C ATOM 525 CD LYS A 33 3.945 13.115 16.821 1.00 1.21 C ATOM 526 CE LYS A 33 3.234 12.420 17.972 1.00 1.50 C ATOM 527 NZ LYS A 33 1.907 11.880 17.576 1.00 1.79 N ATOM 0 H LYS A 33 7.038 12.417 13.100 1.00 1.04 H new ATOM 0 HA LYS A 33 6.711 12.883 15.949 1.00 1.08 H new ATOM 0 HB2 LYS A 33 5.017 13.714 14.425 1.00 1.05 H new ATOM 0 HB3 LYS A 33 4.864 12.152 13.645 1.00 1.05 H new ATOM 0 HG2 LYS A 33 2.956 12.407 15.055 1.00 1.11 H new ATOM 0 HG3 LYS A 33 3.990 11.218 15.823 1.00 1.11 H new ATOM 0 HD2 LYS A 33 4.979 13.317 17.100 1.00 1.21 H new ATOM 0 HD3 LYS A 33 3.473 14.078 16.629 1.00 1.21 H new ATOM 0 HE2 LYS A 33 3.858 11.607 18.343 1.00 1.50 H new ATOM 0 HE3 LYS A 33 3.106 13.124 18.794 1.00 1.50 H new ATOM 0 HZ1 LYS A 33 1.276 11.870 18.402 1.00 1.79 H new ATOM 0 HZ2 LYS A 33 1.496 12.480 16.833 1.00 1.79 H new ATOM 0 HZ3 LYS A 33 2.020 10.911 17.215 1.00 1.79 H new ATOM 541 N GLU A 34 5.796 9.915 14.844 1.00 0.98 N ATOM 542 CA GLU A 34 5.701 8.500 15.199 1.00 0.97 C ATOM 543 C GLU A 34 7.030 7.761 15.053 1.00 0.95 C ATOM 544 O GLU A 34 7.172 6.638 15.536 1.00 0.97 O ATOM 545 CB GLU A 34 4.645 7.821 14.321 1.00 0.89 C ATOM 546 CG GLU A 34 3.301 8.535 14.308 1.00 0.94 C ATOM 547 CD GLU A 34 2.608 8.506 15.655 1.00 1.18 C ATOM 548 OE1 GLU A 34 2.496 7.411 16.245 1.00 1.18 O ATOM 549 OE2 GLU A 34 2.165 9.575 16.130 1.00 1.56 O ATOM 0 H GLU A 34 5.308 10.159 13.982 1.00 0.98 H new ATOM 0 HA GLU A 34 5.418 8.453 16.250 1.00 0.97 H new ATOM 0 HB2 GLU A 34 5.022 7.758 13.300 1.00 0.89 H new ATOM 0 HB3 GLU A 34 4.499 6.799 14.670 1.00 0.89 H new ATOM 0 HG2 GLU A 34 3.448 9.571 14.002 1.00 0.94 H new ATOM 0 HG3 GLU A 34 2.655 8.071 13.562 1.00 0.94 H new ATOM 556 N GLY A 35 7.998 8.379 14.394 1.00 0.94 N ATOM 557 CA GLY A 35 9.289 7.737 14.215 1.00 0.94 C ATOM 558 C GLY A 35 9.260 6.628 13.182 1.00 0.88 C ATOM 559 O GLY A 35 10.076 5.708 13.230 1.00 0.92 O ATOM 0 H GLY A 35 7.917 9.308 13.981 1.00 0.94 H new ATOM 0 HA2 GLY A 35 10.023 8.486 13.916 1.00 0.94 H new ATOM 0 HA3 GLY A 35 9.621 7.329 15.169 1.00 0.94 H new ATOM 563 N ILE A 36 8.327 6.710 12.246 1.00 0.79 N ATOM 564 CA ILE A 36 8.203 5.699 11.206 1.00 0.73 C ATOM 565 C ILE A 36 9.027 6.087 9.980 1.00 0.69 C ATOM 566 O ILE A 36 8.861 7.180 9.445 1.00 0.63 O ATOM 567 CB ILE A 36 6.731 5.493 10.784 1.00 0.66 C ATOM 568 CG1 ILE A 36 5.864 5.176 12.006 1.00 0.77 C ATOM 569 CG2 ILE A 36 6.623 4.375 9.756 1.00 0.63 C ATOM 570 CD1 ILE A 36 4.379 5.165 11.711 1.00 0.76 C ATOM 0 H ILE A 36 7.645 7.466 12.185 1.00 0.79 H new ATOM 0 HA ILE A 36 8.579 4.764 11.621 1.00 0.73 H new ATOM 0 HB ILE A 36 6.370 6.417 10.331 1.00 0.66 H new ATOM 0 HG12 ILE A 36 6.154 4.203 12.404 1.00 0.77 H new ATOM 0 HG13 ILE A 36 6.066 5.912 12.784 1.00 0.77 H new ATOM 0 HG21 ILE A 36 5.579 4.243 9.470 1.00 0.63 H new ATOM 0 HG22 ILE A 36 7.211 4.633 8.875 1.00 0.63 H new ATOM 0 HG23 ILE A 36 7.001 3.448 10.186 1.00 0.63 H new ATOM 0 HD11 ILE A 36 3.829 4.933 12.623 1.00 0.76 H new ATOM 0 HD12 ILE A 36 4.074 6.144 11.342 1.00 0.76 H new ATOM 0 HD13 ILE A 36 4.164 4.409 10.955 1.00 0.76 H new ATOM 582 N PRO A 37 9.939 5.208 9.532 1.00 0.76 N ATOM 583 CA PRO A 37 10.779 5.468 8.355 1.00 0.77 C ATOM 584 C PRO A 37 9.950 5.710 7.092 1.00 0.66 C ATOM 585 O PRO A 37 8.971 5.007 6.841 1.00 0.58 O ATOM 586 CB PRO A 37 11.607 4.188 8.210 1.00 0.88 C ATOM 587 CG PRO A 37 11.577 3.557 9.558 1.00 0.97 C ATOM 588 CD PRO A 37 10.240 3.902 10.143 1.00 0.88 C ATOM 0 HA PRO A 37 11.382 6.367 8.480 1.00 0.77 H new ATOM 0 HB2 PRO A 37 11.183 3.527 7.455 1.00 0.88 H new ATOM 0 HB3 PRO A 37 12.628 4.411 7.901 1.00 0.88 H new ATOM 0 HG2 PRO A 37 11.705 2.477 9.487 1.00 0.97 H new ATOM 0 HG3 PRO A 37 12.386 3.934 10.184 1.00 0.97 H new ATOM 0 HD2 PRO A 37 9.485 3.156 9.893 1.00 0.88 H new ATOM 0 HD3 PRO A 37 10.279 3.964 11.231 1.00 0.88 H new ATOM 596 N PRO A 38 10.338 6.707 6.272 1.00 0.70 N ATOM 597 CA PRO A 38 9.624 7.048 5.031 1.00 0.66 C ATOM 598 C PRO A 38 9.615 5.904 4.019 1.00 0.65 C ATOM 599 O PRO A 38 8.735 5.828 3.160 1.00 0.62 O ATOM 600 CB PRO A 38 10.410 8.242 4.471 1.00 0.81 C ATOM 601 CG PRO A 38 11.195 8.770 5.621 1.00 0.91 C ATOM 602 CD PRO A 38 11.498 7.588 6.492 1.00 0.86 C ATOM 0 HA PRO A 38 8.573 7.263 5.226 1.00 0.66 H new ATOM 0 HB2 PRO A 38 11.065 7.934 3.656 1.00 0.81 H new ATOM 0 HB3 PRO A 38 9.739 9.002 4.071 1.00 0.81 H new ATOM 0 HG2 PRO A 38 12.113 9.249 5.280 1.00 0.91 H new ATOM 0 HG3 PRO A 38 10.627 9.523 6.168 1.00 0.91 H new ATOM 0 HD2 PRO A 38 12.432 7.104 6.205 1.00 0.86 H new ATOM 0 HD3 PRO A 38 11.595 7.873 7.540 1.00 0.86 H new ATOM 610 N ASP A 39 10.593 5.013 4.134 1.00 0.73 N ATOM 611 CA ASP A 39 10.701 3.863 3.237 1.00 0.79 C ATOM 612 C ASP A 39 9.626 2.837 3.569 1.00 0.74 C ATOM 613 O ASP A 39 9.211 2.049 2.721 1.00 0.81 O ATOM 614 CB ASP A 39 12.100 3.234 3.340 1.00 0.89 C ATOM 615 CG ASP A 39 12.156 1.798 2.840 1.00 1.84 C ATOM 616 OD1 ASP A 39 11.978 1.572 1.620 1.00 2.29 O ATOM 617 OD2 ASP A 39 12.387 0.887 3.667 1.00 2.66 O ATOM 0 H ASP A 39 11.326 5.063 4.841 1.00 0.73 H new ATOM 0 HA ASP A 39 10.552 4.202 2.212 1.00 0.79 H new ATOM 0 HB2 ASP A 39 12.805 3.838 2.768 1.00 0.89 H new ATOM 0 HB3 ASP A 39 12.427 3.262 4.379 1.00 0.89 H new ATOM 622 N GLN A 40 9.144 2.891 4.801 1.00 0.67 N ATOM 623 CA GLN A 40 8.126 1.965 5.261 1.00 0.70 C ATOM 624 C GLN A 40 6.746 2.618 5.256 1.00 0.60 C ATOM 625 O GLN A 40 5.797 2.068 5.806 1.00 0.67 O ATOM 626 CB GLN A 40 8.462 1.471 6.672 1.00 0.79 C ATOM 627 CG GLN A 40 9.834 0.822 6.784 1.00 0.95 C ATOM 628 CD GLN A 40 10.127 0.301 8.180 1.00 1.48 C ATOM 629 OE1 GLN A 40 9.635 0.831 9.176 1.00 2.10 O ATOM 630 NE2 GLN A 40 10.945 -0.738 8.261 1.00 2.01 N ATOM 0 H GLN A 40 9.444 3.570 5.501 1.00 0.67 H new ATOM 0 HA GLN A 40 8.107 1.117 4.576 1.00 0.70 H new ATOM 0 HB2 GLN A 40 8.411 2.312 7.363 1.00 0.79 H new ATOM 0 HB3 GLN A 40 7.704 0.753 6.986 1.00 0.79 H new ATOM 0 HG2 GLN A 40 9.900 -0.001 6.073 1.00 0.95 H new ATOM 0 HG3 GLN A 40 10.598 1.547 6.504 1.00 0.95 H new ATOM 0 HE21 GLN A 40 11.332 -1.149 7.412 1.00 2.01 H new ATOM 0 HE22 GLN A 40 11.187 -1.126 9.172 1.00 2.01 H new ATOM 639 N GLN A 41 6.628 3.780 4.625 1.00 0.51 N ATOM 640 CA GLN A 41 5.355 4.486 4.568 1.00 0.44 C ATOM 641 C GLN A 41 4.826 4.525 3.142 1.00 0.45 C ATOM 642 O GLN A 41 5.551 4.886 2.217 1.00 0.51 O ATOM 643 CB GLN A 41 5.511 5.920 5.063 1.00 0.40 C ATOM 644 CG GLN A 41 5.895 6.048 6.524 1.00 0.41 C ATOM 645 CD GLN A 41 5.846 7.489 6.987 1.00 0.40 C ATOM 646 OE1 GLN A 41 4.998 8.260 6.551 1.00 0.37 O ATOM 647 NE2 GLN A 41 6.764 7.870 7.856 1.00 0.46 N ATOM 0 H GLN A 41 7.396 4.252 4.147 1.00 0.51 H new ATOM 0 HA GLN A 41 4.654 3.949 5.208 1.00 0.44 H new ATOM 0 HB2 GLN A 41 6.268 6.419 4.458 1.00 0.40 H new ATOM 0 HB3 GLN A 41 4.573 6.450 4.900 1.00 0.40 H new ATOM 0 HG2 GLN A 41 5.220 5.446 7.133 1.00 0.41 H new ATOM 0 HG3 GLN A 41 6.899 5.651 6.673 1.00 0.41 H new ATOM 0 HE21 GLN A 41 7.453 7.200 8.196 1.00 0.46 H new ATOM 0 HE22 GLN A 41 6.784 8.835 8.187 1.00 0.46 H new ATOM 656 N ARG A 42 3.571 4.149 2.966 1.00 0.46 N ATOM 657 CA ARG A 42 2.949 4.169 1.650 1.00 0.52 C ATOM 658 C ARG A 42 1.584 4.842 1.721 1.00 0.50 C ATOM 659 O ARG A 42 0.680 4.364 2.411 1.00 0.53 O ATOM 660 CB ARG A 42 2.819 2.751 1.084 1.00 0.63 C ATOM 661 CG ARG A 42 4.145 2.141 0.651 1.00 0.69 C ATOM 662 CD ARG A 42 4.842 3.003 -0.392 1.00 0.75 C ATOM 663 NE ARG A 42 6.112 2.425 -0.826 1.00 0.87 N ATOM 664 CZ ARG A 42 7.306 2.864 -0.420 1.00 0.92 C ATOM 665 NH1 ARG A 42 7.395 3.827 0.492 1.00 0.94 N ATOM 666 NH2 ARG A 42 8.411 2.324 -0.916 1.00 1.11 N ATOM 0 H ARG A 42 2.961 3.826 3.717 1.00 0.46 H new ATOM 0 HA ARG A 42 3.588 4.743 0.979 1.00 0.52 H new ATOM 0 HB2 ARG A 42 2.363 2.109 1.837 1.00 0.63 H new ATOM 0 HB3 ARG A 42 2.142 2.771 0.230 1.00 0.63 H new ATOM 0 HG2 ARG A 42 4.793 2.023 1.519 1.00 0.69 H new ATOM 0 HG3 ARG A 42 3.973 1.144 0.245 1.00 0.69 H new ATOM 0 HD2 ARG A 42 4.187 3.127 -1.255 1.00 0.75 H new ATOM 0 HD3 ARG A 42 5.019 3.997 0.020 1.00 0.75 H new ATOM 0 HE ARG A 42 6.085 1.640 -1.477 1.00 0.87 H new ATOM 0 HH11 ARG A 42 6.548 4.236 0.887 1.00 0.94 H new ATOM 0 HH12 ARG A 42 8.310 4.157 0.797 1.00 0.94 H new ATOM 0 HH21 ARG A 42 8.348 1.575 -1.606 1.00 1.11 H new ATOM 0 HH22 ARG A 42 9.324 2.657 -0.608 1.00 1.11 H new ATOM 680 N LEU A 43 1.461 5.968 1.027 1.00 0.47 N ATOM 681 CA LEU A 43 0.216 6.727 0.997 1.00 0.46 C ATOM 682 C LEU A 43 -0.798 6.058 0.079 1.00 0.49 C ATOM 683 O LEU A 43 -0.598 5.979 -1.138 1.00 0.65 O ATOM 684 CB LEU A 43 0.467 8.172 0.541 1.00 0.47 C ATOM 685 CG LEU A 43 0.810 9.175 1.652 1.00 0.64 C ATOM 686 CD1 LEU A 43 -0.260 9.169 2.737 1.00 0.98 C ATOM 687 CD2 LEU A 43 2.175 8.875 2.250 1.00 1.14 C ATOM 0 H LEU A 43 2.214 6.378 0.474 1.00 0.47 H new ATOM 0 HA LEU A 43 -0.188 6.749 2.009 1.00 0.46 H new ATOM 0 HB2 LEU A 43 1.282 8.168 -0.183 1.00 0.47 H new ATOM 0 HB3 LEU A 43 -0.421 8.527 0.019 1.00 0.47 H new ATOM 0 HG LEU A 43 0.842 10.170 1.207 1.00 0.64 H new ATOM 0 HD11 LEU A 43 0.005 9.887 3.513 1.00 0.98 H new ATOM 0 HD12 LEU A 43 -1.221 9.443 2.302 1.00 0.98 H new ATOM 0 HD13 LEU A 43 -0.330 8.173 3.173 1.00 0.98 H new ATOM 0 HD21 LEU A 43 2.396 9.599 3.035 1.00 1.14 H new ATOM 0 HD22 LEU A 43 2.174 7.870 2.673 1.00 1.14 H new ATOM 0 HD23 LEU A 43 2.935 8.940 1.472 1.00 1.14 H new ATOM 699 N ILE A 44 -1.880 5.569 0.670 1.00 0.55 N ATOM 700 CA ILE A 44 -2.931 4.897 -0.079 1.00 0.63 C ATOM 701 C ILE A 44 -4.235 5.688 -0.019 1.00 0.63 C ATOM 702 O ILE A 44 -4.618 6.197 1.038 1.00 0.92 O ATOM 703 CB ILE A 44 -3.192 3.473 0.464 1.00 0.95 C ATOM 704 CG1 ILE A 44 -1.874 2.747 0.777 1.00 1.33 C ATOM 705 CG2 ILE A 44 -4.022 2.675 -0.532 1.00 1.57 C ATOM 706 CD1 ILE A 44 -1.000 2.504 -0.434 1.00 1.75 C ATOM 0 H ILE A 44 -2.052 5.626 1.674 1.00 0.55 H new ATOM 0 HA ILE A 44 -2.588 4.830 -1.111 1.00 0.63 H new ATOM 0 HB ILE A 44 -3.751 3.561 1.396 1.00 0.95 H new ATOM 0 HG12 ILE A 44 -1.313 3.333 1.505 1.00 1.33 H new ATOM 0 HG13 ILE A 44 -2.101 1.790 1.246 1.00 1.33 H new ATOM 0 HG21 ILE A 44 -4.199 1.674 -0.139 1.00 1.57 H new ATOM 0 HG22 ILE A 44 -4.977 3.176 -0.694 1.00 1.57 H new ATOM 0 HG23 ILE A 44 -3.485 2.603 -1.478 1.00 1.57 H new ATOM 0 HD11 ILE A 44 -0.090 1.988 -0.128 1.00 1.75 H new ATOM 0 HD12 ILE A 44 -1.540 1.891 -1.155 1.00 1.75 H new ATOM 0 HD13 ILE A 44 -0.739 3.458 -0.892 1.00 1.75 H new ATOM 718 N PHE A 45 -4.908 5.790 -1.155 1.00 0.58 N ATOM 719 CA PHE A 45 -6.168 6.507 -1.239 1.00 0.72 C ATOM 720 C PHE A 45 -7.237 5.641 -1.909 1.00 0.86 C ATOM 721 O PHE A 45 -7.321 5.571 -3.139 1.00 0.83 O ATOM 722 CB PHE A 45 -5.985 7.820 -2.005 1.00 0.77 C ATOM 723 CG PHE A 45 -7.216 8.682 -2.039 1.00 1.02 C ATOM 724 CD1 PHE A 45 -7.908 8.977 -0.873 1.00 0.98 C ATOM 725 CD2 PHE A 45 -7.681 9.198 -3.238 1.00 1.68 C ATOM 726 CE1 PHE A 45 -9.038 9.769 -0.903 1.00 1.21 C ATOM 727 CE2 PHE A 45 -8.812 9.991 -3.274 1.00 1.95 C ATOM 728 CZ PHE A 45 -9.492 10.277 -2.105 1.00 1.59 C ATOM 0 H PHE A 45 -4.598 5.381 -2.037 1.00 0.58 H new ATOM 0 HA PHE A 45 -6.500 6.739 -0.227 1.00 0.72 H new ATOM 0 HB2 PHE A 45 -5.171 8.384 -1.550 1.00 0.77 H new ATOM 0 HB3 PHE A 45 -5.684 7.594 -3.028 1.00 0.77 H new ATOM 0 HD1 PHE A 45 -7.558 8.582 0.069 1.00 0.98 H new ATOM 0 HD2 PHE A 45 -7.154 8.978 -4.154 1.00 1.68 H new ATOM 0 HE1 PHE A 45 -9.567 9.991 0.012 1.00 1.21 H new ATOM 0 HE2 PHE A 45 -9.164 10.387 -4.215 1.00 1.95 H new ATOM 0 HZ PHE A 45 -10.376 10.896 -2.131 1.00 1.59 H new ATOM 738 N ALA A 46 -8.022 4.958 -1.077 1.00 1.21 N ATOM 739 CA ALA A 46 -9.124 4.100 -1.528 1.00 1.45 C ATOM 740 C ALA A 46 -8.675 2.989 -2.483 1.00 1.26 C ATOM 741 O ALA A 46 -9.418 2.599 -3.386 1.00 1.24 O ATOM 742 CB ALA A 46 -10.214 4.947 -2.173 1.00 1.65 C ATOM 0 H ALA A 46 -7.913 4.983 -0.063 1.00 1.21 H new ATOM 0 HA ALA A 46 -9.518 3.602 -0.642 1.00 1.45 H new ATOM 0 HB1 ALA A 46 -11.028 4.302 -2.505 1.00 1.65 H new ATOM 0 HB2 ALA A 46 -10.594 5.666 -1.447 1.00 1.65 H new ATOM 0 HB3 ALA A 46 -9.801 5.480 -3.030 1.00 1.65 H new ATOM 748 N GLY A 47 -7.473 2.462 -2.277 1.00 1.29 N ATOM 749 CA GLY A 47 -6.982 1.394 -3.132 1.00 1.38 C ATOM 750 C GLY A 47 -5.900 1.857 -4.082 1.00 1.26 C ATOM 751 O GLY A 47 -5.114 1.056 -4.580 1.00 1.51 O ATOM 0 H GLY A 47 -6.832 2.752 -1.538 1.00 1.29 H new ATOM 0 HA2 GLY A 47 -6.593 0.587 -2.511 1.00 1.38 H new ATOM 0 HA3 GLY A 47 -7.812 0.983 -3.706 1.00 1.38 H new ATOM 755 N LYS A 48 -5.863 3.152 -4.335 1.00 1.08 N ATOM 756 CA LYS A 48 -4.872 3.730 -5.227 1.00 1.25 C ATOM 757 C LYS A 48 -3.665 4.207 -4.427 1.00 1.05 C ATOM 758 O LYS A 48 -3.819 4.797 -3.361 1.00 1.03 O ATOM 759 CB LYS A 48 -5.508 4.888 -6.003 1.00 1.51 C ATOM 760 CG LYS A 48 -4.523 5.782 -6.740 1.00 1.98 C ATOM 761 CD LYS A 48 -3.874 5.070 -7.917 1.00 2.33 C ATOM 762 CE LYS A 48 -3.171 6.055 -8.842 1.00 2.71 C ATOM 763 NZ LYS A 48 -2.297 7.001 -8.095 1.00 3.64 N ATOM 0 H LYS A 48 -6.512 3.828 -3.933 1.00 1.08 H new ATOM 0 HA LYS A 48 -4.529 2.977 -5.937 1.00 1.25 H new ATOM 0 HB2 LYS A 48 -6.214 4.478 -6.725 1.00 1.51 H new ATOM 0 HB3 LYS A 48 -6.082 5.500 -5.308 1.00 1.51 H new ATOM 0 HG2 LYS A 48 -5.039 6.673 -7.096 1.00 1.98 H new ATOM 0 HG3 LYS A 48 -3.750 6.117 -6.048 1.00 1.98 H new ATOM 0 HD2 LYS A 48 -3.156 4.337 -7.550 1.00 2.33 H new ATOM 0 HD3 LYS A 48 -4.632 4.521 -8.476 1.00 2.33 H new ATOM 0 HE2 LYS A 48 -2.572 5.505 -9.568 1.00 2.71 H new ATOM 0 HE3 LYS A 48 -3.916 6.618 -9.405 1.00 2.71 H new ATOM 0 HZ1 LYS A 48 -1.737 7.562 -8.768 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 -2.886 7.637 -7.520 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 -1.657 6.466 -7.474 1.00 3.64 H new ATOM 777 N GLN A 49 -2.464 3.952 -4.934 1.00 0.98 N ATOM 778 CA GLN A 49 -1.255 4.376 -4.241 1.00 0.86 C ATOM 779 C GLN A 49 -0.750 5.685 -4.835 1.00 0.85 C ATOM 780 O GLN A 49 -0.812 5.890 -6.052 1.00 0.98 O ATOM 781 CB GLN A 49 -0.163 3.307 -4.316 1.00 1.01 C ATOM 782 CG GLN A 49 1.061 3.642 -3.474 1.00 1.26 C ATOM 783 CD GLN A 49 2.058 2.506 -3.395 1.00 1.41 C ATOM 784 OE1 GLN A 49 1.687 1.333 -3.402 1.00 1.50 O ATOM 785 NE2 GLN A 49 3.336 2.844 -3.337 1.00 2.20 N ATOM 0 H GLN A 49 -2.303 3.459 -5.812 1.00 0.98 H new ATOM 0 HA GLN A 49 -1.502 4.526 -3.190 1.00 0.86 H new ATOM 0 HB2 GLN A 49 -0.574 2.353 -3.985 1.00 1.01 H new ATOM 0 HB3 GLN A 49 0.142 3.180 -5.355 1.00 1.01 H new ATOM 0 HG2 GLN A 49 1.553 4.520 -3.892 1.00 1.26 H new ATOM 0 HG3 GLN A 49 0.740 3.906 -2.466 1.00 1.26 H new ATOM 0 HE21 GLN A 49 3.604 3.828 -3.333 1.00 2.20 H new ATOM 0 HE22 GLN A 49 4.054 2.120 -3.296 1.00 2.20 H new ATOM 794 N LEU A 50 -0.259 6.562 -3.974 1.00 0.77 N ATOM 795 CA LEU A 50 0.242 7.863 -4.391 1.00 0.82 C ATOM 796 C LEU A 50 1.733 7.810 -4.706 1.00 0.89 C ATOM 797 O LEU A 50 2.453 6.936 -4.220 1.00 0.93 O ATOM 798 CB LEU A 50 -0.013 8.897 -3.291 1.00 0.75 C ATOM 799 CG LEU A 50 -1.416 9.518 -3.271 1.00 0.73 C ATOM 800 CD1 LEU A 50 -2.478 8.483 -2.927 1.00 1.01 C ATOM 801 CD2 LEU A 50 -1.467 10.668 -2.280 1.00 0.87 C ATOM 0 H LEU A 50 -0.196 6.394 -2.970 1.00 0.77 H new ATOM 0 HA LEU A 50 -0.289 8.151 -5.298 1.00 0.82 H new ATOM 0 HB2 LEU A 50 0.169 8.425 -2.325 1.00 0.75 H new ATOM 0 HB3 LEU A 50 0.717 9.699 -3.396 1.00 0.75 H new ATOM 0 HG LEU A 50 -1.628 9.896 -4.271 1.00 0.73 H new ATOM 0 HD11 LEU A 50 -3.460 8.957 -2.922 1.00 1.01 H new ATOM 0 HD12 LEU A 50 -2.464 7.686 -3.671 1.00 1.01 H new ATOM 0 HD13 LEU A 50 -2.272 8.064 -1.942 1.00 1.01 H new ATOM 0 HD21 LEU A 50 -2.468 11.100 -2.275 1.00 0.87 H new ATOM 0 HD22 LEU A 50 -1.226 10.300 -1.283 1.00 0.87 H new ATOM 0 HD23 LEU A 50 -0.744 11.430 -2.570 1.00 0.87 H new ATOM 813 N GLU A 51 2.180 8.751 -5.527 1.00 0.95 N ATOM 814 CA GLU A 51 3.578 8.847 -5.909 1.00 1.07 C ATOM 815 C GLU A 51 4.330 9.700 -4.889 1.00 0.91 C ATOM 816 O GLU A 51 3.957 10.847 -4.630 1.00 0.89 O ATOM 817 CB GLU A 51 3.695 9.459 -7.307 1.00 1.37 C ATOM 818 CG GLU A 51 4.761 8.815 -8.181 1.00 1.59 C ATOM 819 CD GLU A 51 4.502 7.343 -8.440 1.00 1.84 C ATOM 820 OE1 GLU A 51 3.373 6.990 -8.835 1.00 1.95 O ATOM 821 OE2 GLU A 51 5.434 6.528 -8.252 1.00 2.64 O ATOM 0 H GLU A 51 1.584 9.466 -5.944 1.00 0.95 H new ATOM 0 HA GLU A 51 4.018 7.850 -5.928 1.00 1.07 H new ATOM 0 HB2 GLU A 51 2.731 9.378 -7.809 1.00 1.37 H new ATOM 0 HB3 GLU A 51 3.915 10.522 -7.209 1.00 1.37 H new ATOM 0 HG2 GLU A 51 4.811 9.343 -9.133 1.00 1.59 H new ATOM 0 HG3 GLU A 51 5.734 8.929 -7.702 1.00 1.59 H new ATOM 828 N ASP A 52 5.385 9.131 -4.320 1.00 0.89 N ATOM 829 CA ASP A 52 6.193 9.807 -3.299 1.00 0.90 C ATOM 830 C ASP A 52 6.745 11.148 -3.775 1.00 1.06 C ATOM 831 O ASP A 52 6.935 12.067 -2.976 1.00 1.66 O ATOM 832 CB ASP A 52 7.364 8.920 -2.867 1.00 0.94 C ATOM 833 CG ASP A 52 6.924 7.603 -2.261 1.00 1.07 C ATOM 834 OD1 ASP A 52 6.362 7.612 -1.146 1.00 1.32 O ATOM 835 OD2 ASP A 52 7.162 6.553 -2.888 1.00 1.51 O ATOM 0 H ASP A 52 5.708 8.191 -4.549 1.00 0.89 H new ATOM 0 HA ASP A 52 5.526 9.994 -2.458 1.00 0.90 H new ATOM 0 HB2 ASP A 52 7.998 8.721 -3.731 1.00 0.94 H new ATOM 0 HB3 ASP A 52 7.973 9.461 -2.142 1.00 0.94 H new ATOM 840 N GLY A 53 6.991 11.267 -5.072 1.00 1.02 N ATOM 841 CA GLY A 53 7.547 12.496 -5.606 1.00 1.10 C ATOM 842 C GLY A 53 6.503 13.485 -6.093 1.00 1.05 C ATOM 843 O GLY A 53 6.798 14.330 -6.939 1.00 1.14 O ATOM 0 H GLY A 53 6.817 10.537 -5.763 1.00 1.02 H new ATOM 0 HA2 GLY A 53 8.153 12.973 -4.836 1.00 1.10 H new ATOM 0 HA3 GLY A 53 8.215 12.252 -6.432 1.00 1.10 H new ATOM 847 N ARG A 54 5.285 13.390 -5.577 1.00 0.93 N ATOM 848 CA ARG A 54 4.223 14.312 -5.963 1.00 0.91 C ATOM 849 C ARG A 54 3.771 15.120 -4.751 1.00 0.83 C ATOM 850 O ARG A 54 4.252 14.894 -3.641 1.00 0.82 O ATOM 851 CB ARG A 54 3.043 13.564 -6.588 1.00 0.93 C ATOM 852 CG ARG A 54 3.288 13.156 -8.034 1.00 1.03 C ATOM 853 CD ARG A 54 2.049 12.539 -8.666 1.00 1.30 C ATOM 854 NE ARG A 54 1.086 13.551 -9.103 1.00 1.89 N ATOM 855 CZ ARG A 54 -0.124 13.276 -9.585 1.00 2.64 C ATOM 856 NH1 ARG A 54 -0.539 12.018 -9.692 1.00 2.91 N ATOM 857 NH2 ARG A 54 -0.917 14.264 -9.969 1.00 3.46 N ATOM 0 H ARG A 54 5.007 12.687 -4.892 1.00 0.93 H new ATOM 0 HA ARG A 54 4.615 14.996 -6.716 1.00 0.91 H new ATOM 0 HB2 ARG A 54 2.832 12.673 -5.997 1.00 0.93 H new ATOM 0 HB3 ARG A 54 2.155 14.195 -6.541 1.00 0.93 H new ATOM 0 HG2 ARG A 54 3.594 14.029 -8.611 1.00 1.03 H new ATOM 0 HG3 ARG A 54 4.111 12.442 -8.076 1.00 1.03 H new ATOM 0 HD2 ARG A 54 2.345 11.929 -9.520 1.00 1.30 H new ATOM 0 HD3 ARG A 54 1.571 11.872 -7.948 1.00 1.30 H new ATOM 0 HE ARG A 54 1.360 14.531 -9.034 1.00 1.89 H new ATOM 0 HH11 ARG A 54 0.071 11.253 -9.404 1.00 2.91 H new ATOM 0 HH12 ARG A 54 -1.468 11.817 -10.063 1.00 2.91 H new ATOM 0 HH21 ARG A 54 -0.600 15.231 -9.895 1.00 3.46 H new ATOM 0 HH22 ARG A 54 -1.845 14.059 -10.339 1.00 3.46 H new ATOM 871 N THR A 55 2.855 16.055 -4.959 1.00 0.80 N ATOM 872 CA THR A 55 2.372 16.898 -3.876 1.00 0.76 C ATOM 873 C THR A 55 0.938 16.548 -3.492 1.00 0.71 C ATOM 874 O THR A 55 0.242 15.835 -4.220 1.00 0.73 O ATOM 875 CB THR A 55 2.454 18.385 -4.269 1.00 0.81 C ATOM 876 OG1 THR A 55 2.023 18.552 -5.625 1.00 1.06 O ATOM 877 CG2 THR A 55 3.873 18.907 -4.119 1.00 0.96 C ATOM 0 H THR A 55 2.432 16.248 -5.867 1.00 0.80 H new ATOM 0 HA THR A 55 3.013 16.717 -3.013 1.00 0.76 H new ATOM 0 HB THR A 55 1.803 18.952 -3.604 1.00 0.81 H new ATOM 0 HG1 THR A 55 2.075 19.499 -5.870 1.00 1.06 H new ATOM 0 HG21 THR A 55 3.906 19.959 -4.402 1.00 0.96 H new ATOM 0 HG22 THR A 55 4.192 18.800 -3.082 1.00 0.96 H new ATOM 0 HG23 THR A 55 4.541 18.337 -4.765 1.00 0.96 H new ATOM 885 N LEU A 56 0.505 17.046 -2.340 1.00 0.68 N ATOM 886 CA LEU A 56 -0.842 16.794 -1.854 1.00 0.67 C ATOM 887 C LEU A 56 -1.889 17.407 -2.780 1.00 0.70 C ATOM 888 O LEU A 56 -2.811 16.718 -3.224 1.00 0.71 O ATOM 889 CB LEU A 56 -0.994 17.339 -0.435 1.00 0.68 C ATOM 890 CG LEU A 56 -0.158 16.616 0.622 1.00 0.76 C ATOM 891 CD1 LEU A 56 -0.208 17.360 1.942 1.00 1.34 C ATOM 892 CD2 LEU A 56 -0.637 15.183 0.803 1.00 1.26 C ATOM 0 H LEU A 56 1.072 17.629 -1.724 1.00 0.68 H new ATOM 0 HA LEU A 56 -1.005 15.716 -1.840 1.00 0.67 H new ATOM 0 HB2 LEU A 56 -0.721 18.394 -0.435 1.00 0.68 H new ATOM 0 HB3 LEU A 56 -2.044 17.282 -0.149 1.00 0.68 H new ATOM 0 HG LEU A 56 0.876 16.591 0.277 1.00 0.76 H new ATOM 0 HD11 LEU A 56 0.393 16.830 2.681 1.00 1.34 H new ATOM 0 HD12 LEU A 56 0.187 18.367 1.807 1.00 1.34 H new ATOM 0 HD13 LEU A 56 -1.240 17.419 2.288 1.00 1.34 H new ATOM 0 HD21 LEU A 56 -0.028 14.689 1.560 1.00 1.26 H new ATOM 0 HD22 LEU A 56 -1.679 15.185 1.121 1.00 1.26 H new ATOM 0 HD23 LEU A 56 -0.547 14.647 -0.142 1.00 1.26 H new ATOM 904 N SER A 57 -1.750 18.699 -3.077 1.00 0.74 N ATOM 905 CA SER A 57 -2.676 19.396 -3.966 1.00 0.79 C ATOM 906 C SER A 57 -2.708 18.763 -5.353 1.00 0.82 C ATOM 907 O SER A 57 -3.667 18.937 -6.104 1.00 0.84 O ATOM 908 CB SER A 57 -2.270 20.865 -4.087 1.00 0.86 C ATOM 909 OG SER A 57 -0.911 20.982 -4.483 1.00 0.95 O ATOM 0 H SER A 57 -1.000 19.286 -2.712 1.00 0.74 H new ATOM 0 HA SER A 57 -3.674 19.318 -3.534 1.00 0.79 H new ATOM 0 HB2 SER A 57 -2.910 21.365 -4.814 1.00 0.86 H new ATOM 0 HB3 SER A 57 -2.420 21.368 -3.132 1.00 0.86 H new ATOM 0 HG SER A 57 -0.333 20.906 -3.695 1.00 0.95 H new ATOM 915 N ASP A 58 -1.668 18.004 -5.675 1.00 0.83 N ATOM 916 CA ASP A 58 -1.575 17.351 -6.972 1.00 0.88 C ATOM 917 C ASP A 58 -2.599 16.232 -7.055 1.00 0.88 C ATOM 918 O ASP A 58 -3.057 15.865 -8.134 1.00 0.94 O ATOM 919 CB ASP A 58 -0.166 16.798 -7.191 1.00 0.89 C ATOM 920 CG ASP A 58 0.409 17.188 -8.535 1.00 0.87 C ATOM 921 OD1 ASP A 58 0.391 18.393 -8.867 1.00 1.03 O ATOM 922 OD2 ASP A 58 0.891 16.293 -9.259 1.00 1.03 O ATOM 0 H ASP A 58 -0.878 17.826 -5.055 1.00 0.83 H new ATOM 0 HA ASP A 58 -1.781 18.083 -7.753 1.00 0.88 H new ATOM 0 HB2 ASP A 58 0.490 17.161 -6.400 1.00 0.89 H new ATOM 0 HB3 ASP A 58 -0.190 15.711 -7.111 1.00 0.89 H new ATOM 927 N TYR A 59 -2.951 15.696 -5.895 1.00 0.84 N ATOM 928 CA TYR A 59 -3.927 14.625 -5.802 1.00 0.87 C ATOM 929 C TYR A 59 -5.270 15.140 -5.302 1.00 0.86 C ATOM 930 O TYR A 59 -6.100 14.351 -4.842 1.00 0.89 O ATOM 931 CB TYR A 59 -3.427 13.540 -4.850 1.00 0.81 C ATOM 932 CG TYR A 59 -2.405 12.619 -5.459 1.00 0.82 C ATOM 933 CD1 TYR A 59 -2.802 11.527 -6.219 1.00 0.90 C ATOM 934 CD2 TYR A 59 -1.048 12.835 -5.274 1.00 0.84 C ATOM 935 CE1 TYR A 59 -1.874 10.677 -6.775 1.00 0.98 C ATOM 936 CE2 TYR A 59 -0.113 11.987 -5.829 1.00 0.91 C ATOM 937 CZ TYR A 59 -0.533 10.910 -6.578 1.00 0.98 C ATOM 938 OH TYR A 59 0.391 10.063 -7.137 1.00 1.11 O ATOM 0 H TYR A 59 -2.569 15.991 -4.997 1.00 0.84 H new ATOM 0 HA TYR A 59 -4.060 14.213 -6.802 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -2.995 14.014 -3.969 1.00 0.81 H new ATOM 0 HB3 TYR A 59 -4.277 12.949 -4.509 1.00 0.81 H new ATOM 0 HD1 TYR A 59 -3.854 11.342 -6.376 1.00 0.90 H new ATOM 0 HD2 TYR A 59 -0.719 13.679 -4.687 1.00 0.84 H new ATOM 0 HE1 TYR A 59 -2.197 9.831 -7.363 1.00 0.98 H new ATOM 0 HE2 TYR A 59 0.941 12.166 -5.677 1.00 0.91 H new ATOM 0 HH TYR A 59 0.030 9.686 -7.967 1.00 1.11 H new ATOM 948 N ASN A 60 -5.496 16.451 -5.406 1.00 0.86 N ATOM 949 CA ASN A 60 -6.742 17.062 -4.943 1.00 0.87 C ATOM 950 C ASN A 60 -6.919 16.853 -3.436 1.00 0.80 C ATOM 951 O ASN A 60 -8.039 16.770 -2.926 1.00 0.81 O ATOM 952 CB ASN A 60 -7.941 16.498 -5.720 1.00 0.95 C ATOM 953 CG ASN A 60 -9.194 17.341 -5.564 1.00 1.00 C ATOM 954 OD1 ASN A 60 -9.124 18.549 -5.327 1.00 0.99 O ATOM 955 ND2 ASN A 60 -10.349 16.709 -5.696 1.00 1.07 N ATOM 0 H ASN A 60 -4.830 17.111 -5.808 1.00 0.86 H new ATOM 0 HA ASN A 60 -6.690 18.134 -5.131 1.00 0.87 H new ATOM 0 HB2 ASN A 60 -7.684 16.431 -6.777 1.00 0.95 H new ATOM 0 HB3 ASN A 60 -8.146 15.484 -5.377 1.00 0.95 H new ATOM 0 HD21 ASN A 60 -11.225 17.223 -5.602 1.00 1.07 H new ATOM 0 HD22 ASN A 60 -10.363 15.708 -5.892 1.00 1.07 H new ATOM 962 N ILE A 61 -5.802 16.760 -2.726 1.00 0.75 N ATOM 963 CA ILE A 61 -5.833 16.573 -1.286 1.00 0.70 C ATOM 964 C ILE A 61 -5.872 17.925 -0.591 1.00 0.72 C ATOM 965 O ILE A 61 -5.045 18.798 -0.858 1.00 0.76 O ATOM 966 CB ILE A 61 -4.621 15.754 -0.790 1.00 0.66 C ATOM 967 CG1 ILE A 61 -4.649 14.352 -1.406 1.00 0.66 C ATOM 968 CG2 ILE A 61 -4.612 15.670 0.732 1.00 0.63 C ATOM 969 CD1 ILE A 61 -3.425 13.521 -1.087 1.00 0.63 C ATOM 0 H ILE A 61 -4.865 16.811 -3.126 1.00 0.75 H new ATOM 0 HA ILE A 61 -6.734 16.010 -1.040 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.708 16.258 -1.105 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -5.536 13.827 -1.051 1.00 0.66 H new ATOM 0 HG13 ILE A 61 -4.744 14.442 -2.488 1.00 0.66 H new ATOM 0 HG21 ILE A 61 -3.750 15.089 1.059 1.00 0.63 H new ATOM 0 HG22 ILE A 61 -4.553 16.674 1.151 1.00 0.63 H new ATOM 0 HG23 ILE A 61 -5.527 15.187 1.075 1.00 0.63 H new ATOM 0 HD11 ILE A 61 -3.517 12.542 -1.557 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.535 14.023 -1.466 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -3.340 13.398 -0.007 1.00 0.63 H new ATOM 981 N GLN A 62 -6.841 18.090 0.292 1.00 0.72 N ATOM 982 CA GLN A 62 -7.014 19.340 1.017 1.00 0.75 C ATOM 983 C GLN A 62 -7.074 19.078 2.515 1.00 0.73 C ATOM 984 O GLN A 62 -6.608 18.043 2.993 1.00 0.70 O ATOM 985 CB GLN A 62 -8.295 20.037 0.554 1.00 0.82 C ATOM 986 CG GLN A 62 -8.339 20.312 -0.941 1.00 0.86 C ATOM 987 CD GLN A 62 -9.751 20.499 -1.462 1.00 0.98 C ATOM 988 OE1 GLN A 62 -10.633 20.984 -0.752 1.00 1.04 O ATOM 989 NE2 GLN A 62 -9.978 20.111 -2.707 1.00 1.14 N ATOM 0 H GLN A 62 -7.525 17.370 0.526 1.00 0.72 H new ATOM 0 HA GLN A 62 -6.162 19.987 0.811 1.00 0.75 H new ATOM 0 HB2 GLN A 62 -9.152 19.420 0.826 1.00 0.82 H new ATOM 0 HB3 GLN A 62 -8.398 20.980 1.091 1.00 0.82 H new ATOM 0 HG2 GLN A 62 -7.755 21.206 -1.159 1.00 0.86 H new ATOM 0 HG3 GLN A 62 -7.867 19.485 -1.472 1.00 0.86 H new ATOM 0 HE21 GLN A 62 -9.221 19.714 -3.263 1.00 1.14 H new ATOM 0 HE22 GLN A 62 -10.910 20.209 -3.110 1.00 1.14 H new ATOM 998 N LYS A 63 -7.633 20.018 3.255 1.00 0.78 N ATOM 999 CA LYS A 63 -7.764 19.878 4.697 1.00 0.81 C ATOM 1000 C LYS A 63 -8.762 18.780 5.055 1.00 0.84 C ATOM 1001 O LYS A 63 -9.628 18.430 4.250 1.00 0.88 O ATOM 1002 CB LYS A 63 -8.204 21.205 5.319 1.00 0.89 C ATOM 1003 CG LYS A 63 -9.403 21.841 4.630 1.00 0.98 C ATOM 1004 CD LYS A 63 -9.760 23.178 5.257 1.00 1.05 C ATOM 1005 CE LYS A 63 -10.845 23.894 4.471 1.00 1.20 C ATOM 1006 NZ LYS A 63 -11.229 25.183 5.107 1.00 1.50 N ATOM 0 H LYS A 63 -8.006 20.891 2.881 1.00 0.78 H new ATOM 0 HA LYS A 63 -6.790 19.599 5.098 1.00 0.81 H new ATOM 0 HB2 LYS A 63 -8.446 21.040 6.369 1.00 0.89 H new ATOM 0 HB3 LYS A 63 -7.368 21.904 5.290 1.00 0.89 H new ATOM 0 HG2 LYS A 63 -9.184 21.981 3.572 1.00 0.98 H new ATOM 0 HG3 LYS A 63 -10.259 21.169 4.692 1.00 0.98 H new ATOM 0 HD2 LYS A 63 -10.096 23.021 6.282 1.00 1.05 H new ATOM 0 HD3 LYS A 63 -8.871 23.806 5.306 1.00 1.05 H new ATOM 0 HE2 LYS A 63 -10.496 24.080 3.455 1.00 1.20 H new ATOM 0 HE3 LYS A 63 -11.722 23.251 4.394 1.00 1.20 H new ATOM 0 HZ1 LYS A 63 -11.972 25.642 4.541 1.00 1.50 H new ATOM 0 HZ2 LYS A 63 -11.586 25.004 6.067 1.00 1.50 H new ATOM 0 HZ3 LYS A 63 -10.398 25.806 5.158 1.00 1.50 H new ATOM 1020 N GLU A 64 -8.610 18.239 6.261 1.00 0.86 N ATOM 1021 CA GLU A 64 -9.485 17.184 6.789 1.00 0.91 C ATOM 1022 C GLU A 64 -9.452 15.900 5.956 1.00 0.83 C ATOM 1023 O GLU A 64 -10.279 15.008 6.158 1.00 0.87 O ATOM 1024 CB GLU A 64 -10.926 17.689 6.897 1.00 1.04 C ATOM 1025 CG GLU A 64 -11.301 18.166 8.289 1.00 1.15 C ATOM 1026 CD GLU A 64 -10.409 19.280 8.796 1.00 1.26 C ATOM 1027 OE1 GLU A 64 -10.078 20.197 8.013 1.00 1.73 O ATOM 1028 OE2 GLU A 64 -10.048 19.255 9.990 1.00 1.64 O ATOM 0 H GLU A 64 -7.872 18.519 6.907 1.00 0.86 H new ATOM 0 HA GLU A 64 -9.100 16.935 7.778 1.00 0.91 H new ATOM 0 HB2 GLU A 64 -11.069 18.507 6.191 1.00 1.04 H new ATOM 0 HB3 GLU A 64 -11.605 16.890 6.601 1.00 1.04 H new ATOM 0 HG2 GLU A 64 -12.335 18.511 8.282 1.00 1.15 H new ATOM 0 HG3 GLU A 64 -11.251 17.325 8.981 1.00 1.15 H new ATOM 1035 N SER A 65 -8.500 15.791 5.041 1.00 0.74 N ATOM 1036 CA SER A 65 -8.397 14.603 4.208 1.00 0.68 C ATOM 1037 C SER A 65 -7.999 13.392 5.039 1.00 0.61 C ATOM 1038 O SER A 65 -7.201 13.497 5.970 1.00 0.59 O ATOM 1039 CB SER A 65 -7.385 14.813 3.083 1.00 0.65 C ATOM 1040 OG SER A 65 -7.775 15.884 2.241 1.00 0.72 O ATOM 0 H SER A 65 -7.794 16.504 4.858 1.00 0.74 H new ATOM 0 HA SER A 65 -9.378 14.421 3.768 1.00 0.68 H new ATOM 0 HB2 SER A 65 -6.402 15.019 3.507 1.00 0.65 H new ATOM 0 HB3 SER A 65 -7.294 13.899 2.496 1.00 0.65 H new ATOM 0 HG SER A 65 -7.103 16.596 2.285 1.00 0.72 H new ATOM 1046 N THR A 66 -8.558 12.249 4.696 1.00 0.59 N ATOM 1047 CA THR A 66 -8.271 11.016 5.395 1.00 0.57 C ATOM 1048 C THR A 66 -7.604 10.032 4.441 1.00 0.55 C ATOM 1049 O THR A 66 -8.237 9.532 3.510 1.00 0.61 O ATOM 1050 CB THR A 66 -9.556 10.400 5.970 1.00 0.66 C ATOM 1051 OG1 THR A 66 -10.395 11.442 6.488 1.00 0.76 O ATOM 1052 CG2 THR A 66 -9.237 9.404 7.076 1.00 0.68 C ATOM 0 H THR A 66 -9.221 12.150 3.928 1.00 0.59 H new ATOM 0 HA THR A 66 -7.598 11.235 6.224 1.00 0.57 H new ATOM 0 HB THR A 66 -10.073 9.870 5.170 1.00 0.66 H new ATOM 0 HG1 THR A 66 -11.216 11.050 6.853 1.00 0.76 H new ATOM 0 HG21 THR A 66 -10.164 8.983 7.465 1.00 0.68 H new ATOM 0 HG22 THR A 66 -8.615 8.603 6.676 1.00 0.68 H new ATOM 0 HG23 THR A 66 -8.703 9.911 7.880 1.00 0.68 H new ATOM 1060 N LEU A 67 -6.328 9.767 4.663 1.00 0.51 N ATOM 1061 CA LEU A 67 -5.576 8.861 3.808 1.00 0.53 C ATOM 1062 C LEU A 67 -5.181 7.619 4.589 1.00 0.56 C ATOM 1063 O LEU A 67 -5.065 7.661 5.813 1.00 0.77 O ATOM 1064 CB LEU A 67 -4.321 9.558 3.274 1.00 0.53 C ATOM 1065 CG LEU A 67 -4.566 10.894 2.571 1.00 0.58 C ATOM 1066 CD1 LEU A 67 -3.250 11.625 2.351 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -5.282 10.680 1.249 1.00 0.84 C ATOM 0 H LEU A 67 -5.788 10.167 5.430 1.00 0.51 H new ATOM 0 HA LEU A 67 -6.205 8.570 2.966 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -3.636 9.724 4.105 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -3.820 8.886 2.577 1.00 0.53 H new ATOM 0 HG LEU A 67 -5.202 11.507 3.209 1.00 0.58 H new ATOM 0 HD11 LEU A 67 -3.440 12.574 1.850 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -2.772 11.812 3.313 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -2.593 11.013 1.733 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -5.447 11.642 0.765 1.00 0.84 H new ATOM 0 HD22 LEU A 67 -4.672 10.048 0.603 1.00 0.84 H new ATOM 0 HD23 LEU A 67 -6.242 10.195 1.429 1.00 0.84 H new ATOM 1079 N HIS A 68 -4.997 6.513 3.888 1.00 0.50 N ATOM 1080 CA HIS A 68 -4.605 5.275 4.532 1.00 0.54 C ATOM 1081 C HIS A 68 -3.111 5.050 4.386 1.00 0.49 C ATOM 1082 O HIS A 68 -2.554 5.169 3.299 1.00 0.50 O ATOM 1083 CB HIS A 68 -5.385 4.086 3.967 1.00 0.63 C ATOM 1084 CG HIS A 68 -6.661 3.819 4.702 1.00 0.70 C ATOM 1085 ND1 HIS A 68 -6.816 4.060 6.050 1.00 1.18 N ATOM 1086 CD2 HIS A 68 -7.853 3.346 4.270 1.00 1.42 C ATOM 1087 CE1 HIS A 68 -8.045 3.749 6.413 1.00 1.33 C ATOM 1088 NE2 HIS A 68 -8.693 3.313 5.353 1.00 1.45 N ATOM 0 H HIS A 68 -5.113 6.449 2.877 1.00 0.50 H new ATOM 0 HA HIS A 68 -4.843 5.358 5.592 1.00 0.54 H new ATOM 0 HB2 HIS A 68 -5.610 4.272 2.917 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -4.757 3.196 4.006 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -6.092 4.423 6.671 1.00 1.18 H new ATOM 0 HD2 HIS A 68 -8.097 3.050 3.260 1.00 1.42 H new ATOM 0 HE1 HIS A 68 -8.451 3.837 7.410 1.00 1.33 H new ATOM 1097 N LEU A 69 -2.470 4.739 5.493 1.00 0.48 N ATOM 1098 CA LEU A 69 -1.038 4.505 5.493 1.00 0.47 C ATOM 1099 C LEU A 69 -0.730 3.064 5.857 1.00 0.53 C ATOM 1100 O LEU A 69 -1.227 2.541 6.856 1.00 0.64 O ATOM 1101 CB LEU A 69 -0.337 5.449 6.472 1.00 0.49 C ATOM 1102 CG LEU A 69 1.180 5.549 6.305 1.00 0.67 C ATOM 1103 CD1 LEU A 69 1.528 6.466 5.142 1.00 0.90 C ATOM 1104 CD2 LEU A 69 1.824 6.049 7.589 1.00 1.00 C ATOM 0 H LEU A 69 -2.916 4.642 6.405 1.00 0.48 H new ATOM 0 HA LEU A 69 -0.666 4.701 4.487 1.00 0.47 H new ATOM 0 HB2 LEU A 69 -0.765 6.445 6.361 1.00 0.49 H new ATOM 0 HB3 LEU A 69 -0.554 5.120 7.488 1.00 0.49 H new ATOM 0 HG LEU A 69 1.570 4.555 6.088 1.00 0.67 H new ATOM 0 HD11 LEU A 69 2.611 6.526 5.037 1.00 0.90 H new ATOM 0 HD12 LEU A 69 1.096 6.069 4.223 1.00 0.90 H new ATOM 0 HD13 LEU A 69 1.126 7.462 5.331 1.00 0.90 H new ATOM 0 HD21 LEU A 69 2.904 6.114 7.453 1.00 1.00 H new ATOM 0 HD22 LEU A 69 1.429 7.035 7.834 1.00 1.00 H new ATOM 0 HD23 LEU A 69 1.602 5.357 8.401 1.00 1.00 H new ATOM 1116 N VAL A 70 0.060 2.412 5.025 1.00 0.53 N ATOM 1117 CA VAL A 70 0.453 1.039 5.275 1.00 0.59 C ATOM 1118 C VAL A 70 1.955 0.969 5.491 1.00 0.57 C ATOM 1119 O VAL A 70 2.733 1.540 4.723 1.00 0.57 O ATOM 1120 CB VAL A 70 0.033 0.086 4.134 1.00 0.65 C ATOM 1121 CG1 VAL A 70 -1.479 -0.017 4.065 1.00 1.08 C ATOM 1122 CG2 VAL A 70 0.594 0.541 2.796 1.00 1.05 C ATOM 0 H VAL A 70 0.443 2.812 4.168 1.00 0.53 H new ATOM 0 HA VAL A 70 -0.068 0.707 6.173 1.00 0.59 H new ATOM 0 HB VAL A 70 0.446 -0.899 4.351 1.00 0.65 H new ATOM 0 HG11 VAL A 70 -1.761 -0.692 3.257 1.00 1.08 H new ATOM 0 HG12 VAL A 70 -1.861 -0.403 5.010 1.00 1.08 H new ATOM 0 HG13 VAL A 70 -1.903 0.970 3.879 1.00 1.08 H new ATOM 0 HG21 VAL A 70 0.280 -0.152 2.015 1.00 1.05 H new ATOM 0 HG22 VAL A 70 0.223 1.540 2.566 1.00 1.05 H new ATOM 0 HG23 VAL A 70 1.683 0.561 2.846 1.00 1.05 H new ATOM 1132 N LEU A 71 2.354 0.297 6.555 1.00 0.61 N ATOM 1133 CA LEU A 71 3.763 0.161 6.883 1.00 0.63 C ATOM 1134 C LEU A 71 4.379 -0.985 6.096 1.00 0.64 C ATOM 1135 O LEU A 71 4.041 -2.147 6.313 1.00 0.70 O ATOM 1136 CB LEU A 71 3.936 -0.073 8.387 1.00 0.73 C ATOM 1137 CG LEU A 71 3.131 0.867 9.289 1.00 0.86 C ATOM 1138 CD1 LEU A 71 3.331 0.508 10.753 1.00 0.97 C ATOM 1139 CD2 LEU A 71 3.520 2.317 9.041 1.00 0.98 C ATOM 0 H LEU A 71 1.722 -0.164 7.209 1.00 0.61 H new ATOM 0 HA LEU A 71 4.276 1.084 6.612 1.00 0.63 H new ATOM 0 HB2 LEU A 71 3.652 -1.100 8.614 1.00 0.73 H new ATOM 0 HB3 LEU A 71 4.993 0.027 8.635 1.00 0.73 H new ATOM 0 HG LEU A 71 2.075 0.748 9.045 1.00 0.86 H new ATOM 0 HD11 LEU A 71 2.751 1.188 11.377 1.00 0.97 H new ATOM 0 HD12 LEU A 71 2.999 -0.516 10.925 1.00 0.97 H new ATOM 0 HD13 LEU A 71 4.387 0.594 11.008 1.00 0.97 H new ATOM 0 HD21 LEU A 71 2.936 2.967 9.692 1.00 0.98 H new ATOM 0 HD22 LEU A 71 4.581 2.450 9.252 1.00 0.98 H new ATOM 0 HD23 LEU A 71 3.322 2.574 8.000 1.00 0.98 H new ATOM 1151 N ARG A 72 5.262 -0.662 5.166 1.00 0.88 N ATOM 1152 CA ARG A 72 5.911 -1.688 4.367 1.00 0.97 C ATOM 1153 C ARG A 72 7.078 -2.290 5.133 1.00 1.16 C ATOM 1154 O ARG A 72 8.175 -1.734 5.166 1.00 1.48 O ATOM 1155 CB ARG A 72 6.387 -1.140 3.017 1.00 1.07 C ATOM 1156 CG ARG A 72 6.997 -2.209 2.117 1.00 1.39 C ATOM 1157 CD ARG A 72 7.082 -1.753 0.670 1.00 1.15 C ATOM 1158 NE ARG A 72 7.695 -2.771 -0.191 1.00 1.50 N ATOM 1159 CZ ARG A 72 7.132 -3.262 -1.302 1.00 1.88 C ATOM 1160 NH1 ARG A 72 5.919 -2.871 -1.672 1.00 2.11 N ATOM 1161 NH2 ARG A 72 7.791 -4.143 -2.045 1.00 2.62 N ATOM 0 H ARG A 72 5.544 0.293 4.947 1.00 0.88 H new ATOM 0 HA ARG A 72 5.175 -2.466 4.165 1.00 0.97 H new ATOM 0 HB2 ARG A 72 5.545 -0.678 2.502 1.00 1.07 H new ATOM 0 HB3 ARG A 72 7.124 -0.356 3.190 1.00 1.07 H new ATOM 0 HG2 ARG A 72 7.995 -2.460 2.477 1.00 1.39 H new ATOM 0 HG3 ARG A 72 6.398 -3.118 2.176 1.00 1.39 H new ATOM 0 HD2 ARG A 72 6.082 -1.522 0.303 1.00 1.15 H new ATOM 0 HD3 ARG A 72 7.663 -0.832 0.613 1.00 1.15 H new ATOM 0 HE ARG A 72 8.612 -3.129 0.075 1.00 1.50 H new ATOM 0 HH11 ARG A 72 5.408 -2.191 -1.108 1.00 2.11 H new ATOM 0 HH12 ARG A 72 5.497 -3.250 -2.520 1.00 2.11 H new ATOM 0 HH21 ARG A 72 8.725 -4.445 -1.769 1.00 2.62 H new ATOM 0 HH22 ARG A 72 7.363 -4.518 -2.892 1.00 2.62 H new ATOM 1233 N MET B 1 -4.220 -23.516 0.666 1.00 0.61 N ATOM 1234 CA MET B 1 -5.184 -22.822 1.549 1.00 0.57 C ATOM 1235 C MET B 1 -5.818 -21.660 0.803 1.00 0.53 C ATOM 1236 O MET B 1 -5.281 -21.194 -0.202 1.00 0.56 O ATOM 1237 CB MET B 1 -4.499 -22.329 2.831 1.00 0.59 C ATOM 1238 CG MET B 1 -3.505 -21.201 2.617 1.00 0.58 C ATOM 1239 SD MET B 1 -2.511 -20.865 4.080 1.00 0.63 S ATOM 1240 CE MET B 1 -1.494 -19.523 3.478 1.00 0.64 C ATOM 0 H1 MET B 1 -3.929 -24.412 1.106 1.00 0.61 H new ATOM 0 H2 MET B 1 -4.668 -23.711 -0.252 1.00 0.61 H new ATOM 0 H3 MET B 1 -3.385 -22.913 0.522 1.00 0.61 H new ATOM 0 HA MET B 1 -5.963 -23.528 1.838 1.00 0.57 H new ATOM 0 HB2 MET B 1 -5.264 -21.995 3.532 1.00 0.59 H new ATOM 0 HB3 MET B 1 -3.983 -23.168 3.298 1.00 0.59 H new ATOM 0 HG2 MET B 1 -2.847 -21.455 1.786 1.00 0.58 H new ATOM 0 HG3 MET B 1 -4.043 -20.297 2.333 1.00 0.58 H new ATOM 0 HE1 MET B 1 -0.671 -19.350 4.172 1.00 0.64 H new ATOM 0 HE2 MET B 1 -1.094 -19.781 2.498 1.00 0.64 H new ATOM 0 HE3 MET B 1 -2.096 -18.618 3.397 1.00 0.64 H new ATOM 1252 N GLN B 2 -6.930 -21.166 1.307 1.00 0.59 N ATOM 1253 CA GLN B 2 -7.649 -20.091 0.653 1.00 0.58 C ATOM 1254 C GLN B 2 -7.418 -18.768 1.369 1.00 0.55 C ATOM 1255 O GLN B 2 -7.364 -18.714 2.597 1.00 0.63 O ATOM 1256 CB GLN B 2 -9.141 -20.438 0.620 1.00 0.69 C ATOM 1257 CG GLN B 2 -10.061 -19.255 0.393 1.00 1.50 C ATOM 1258 CD GLN B 2 -11.517 -19.666 0.352 1.00 1.69 C ATOM 1259 OE1 GLN B 2 -12.071 -19.928 -0.718 1.00 1.60 O ATOM 1260 NE2 GLN B 2 -12.143 -19.743 1.514 1.00 2.50 N ATOM 0 H GLN B 2 -7.358 -21.494 2.173 1.00 0.59 H new ATOM 0 HA GLN B 2 -7.280 -19.979 -0.366 1.00 0.58 H new ATOM 0 HB2 GLN B 2 -9.312 -21.171 -0.168 1.00 0.69 H new ATOM 0 HB3 GLN B 2 -9.410 -20.915 1.562 1.00 0.69 H new ATOM 0 HG2 GLN B 2 -9.913 -18.524 1.188 1.00 1.50 H new ATOM 0 HG3 GLN B 2 -9.796 -18.765 -0.544 1.00 1.50 H new ATOM 0 HE21 GLN B 2 -11.647 -19.517 2.376 1.00 2.50 H new ATOM 0 HE22 GLN B 2 -13.122 -20.028 1.548 1.00 2.50 H new ATOM 1269 N ILE B 3 -7.248 -17.711 0.590 1.00 0.50 N ATOM 1270 CA ILE B 3 -7.043 -16.380 1.137 1.00 0.50 C ATOM 1271 C ILE B 3 -7.965 -15.388 0.447 1.00 0.50 C ATOM 1272 O ILE B 3 -8.395 -15.612 -0.689 1.00 0.50 O ATOM 1273 CB ILE B 3 -5.586 -15.891 0.990 1.00 0.50 C ATOM 1274 CG1 ILE B 3 -5.121 -16.004 -0.464 1.00 0.49 C ATOM 1275 CG2 ILE B 3 -4.664 -16.675 1.913 1.00 0.52 C ATOM 1276 CD1 ILE B 3 -3.955 -15.100 -0.800 1.00 0.55 C ATOM 0 H ILE B 3 -7.248 -17.751 -0.429 1.00 0.50 H new ATOM 0 HA ILE B 3 -7.269 -16.442 2.202 1.00 0.50 H new ATOM 0 HB ILE B 3 -5.546 -14.840 1.278 1.00 0.50 H new ATOM 0 HG12 ILE B 3 -4.839 -17.037 -0.667 1.00 0.49 H new ATOM 0 HG13 ILE B 3 -5.956 -15.766 -1.123 1.00 0.49 H new ATOM 0 HG21 ILE B 3 -3.641 -16.317 1.796 1.00 0.52 H new ATOM 0 HG22 ILE B 3 -4.981 -16.537 2.947 1.00 0.52 H new ATOM 0 HG23 ILE B 3 -4.709 -17.734 1.658 1.00 0.52 H new ATOM 0 HD11 ILE B 3 -3.680 -15.234 -1.846 1.00 0.55 H new ATOM 0 HD12 ILE B 3 -4.239 -14.062 -0.630 1.00 0.55 H new ATOM 0 HD13 ILE B 3 -3.105 -15.352 -0.167 1.00 0.55 H new ATOM 1288 N PHE B 4 -8.272 -14.301 1.135 1.00 0.54 N ATOM 1289 CA PHE B 4 -9.141 -13.274 0.589 1.00 0.58 C ATOM 1290 C PHE B 4 -8.359 -11.992 0.367 1.00 0.56 C ATOM 1291 O PHE B 4 -7.820 -11.418 1.309 1.00 0.56 O ATOM 1292 CB PHE B 4 -10.319 -13.004 1.529 1.00 0.65 C ATOM 1293 CG PHE B 4 -11.226 -14.186 1.713 1.00 0.72 C ATOM 1294 CD1 PHE B 4 -12.229 -14.454 0.796 1.00 1.07 C ATOM 1295 CD2 PHE B 4 -11.072 -15.032 2.801 1.00 1.13 C ATOM 1296 CE1 PHE B 4 -13.063 -15.544 0.962 1.00 1.13 C ATOM 1297 CE2 PHE B 4 -11.905 -16.123 2.972 1.00 1.24 C ATOM 1298 CZ PHE B 4 -12.901 -16.379 2.051 1.00 0.96 C ATOM 0 H PHE B 4 -7.930 -14.107 2.076 1.00 0.54 H new ATOM 0 HA PHE B 4 -9.530 -13.629 -0.365 1.00 0.58 H new ATOM 0 HB2 PHE B 4 -9.934 -12.698 2.502 1.00 0.65 H new ATOM 0 HB3 PHE B 4 -10.900 -12.168 1.139 1.00 0.65 H new ATOM 0 HD1 PHE B 4 -12.361 -13.805 -0.057 1.00 1.07 H new ATOM 0 HD2 PHE B 4 -10.293 -14.837 3.523 1.00 1.13 H new ATOM 0 HE1 PHE B 4 -13.841 -15.743 0.240 1.00 1.13 H new ATOM 0 HE2 PHE B 4 -11.776 -16.773 3.825 1.00 1.24 H new ATOM 0 HZ PHE B 4 -13.552 -17.230 2.181 1.00 0.96 H new ATOM 1308 N VAL B 5 -8.286 -11.556 -0.874 1.00 0.54 N ATOM 1309 CA VAL B 5 -7.575 -10.337 -1.212 1.00 0.54 C ATOM 1310 C VAL B 5 -8.588 -9.248 -1.533 1.00 0.55 C ATOM 1311 O VAL B 5 -9.129 -9.195 -2.636 1.00 0.55 O ATOM 1312 CB VAL B 5 -6.630 -10.539 -2.416 1.00 0.54 C ATOM 1313 CG1 VAL B 5 -5.798 -9.293 -2.660 1.00 0.55 C ATOM 1314 CG2 VAL B 5 -5.734 -11.750 -2.202 1.00 0.57 C ATOM 0 H VAL B 5 -8.713 -12.030 -1.670 1.00 0.54 H new ATOM 0 HA VAL B 5 -6.962 -10.049 -0.358 1.00 0.54 H new ATOM 0 HB VAL B 5 -7.241 -10.720 -3.300 1.00 0.54 H new ATOM 0 HG11 VAL B 5 -5.139 -9.457 -3.513 1.00 0.55 H new ATOM 0 HG12 VAL B 5 -6.457 -8.450 -2.867 1.00 0.55 H new ATOM 0 HG13 VAL B 5 -5.199 -9.076 -1.775 1.00 0.55 H new ATOM 0 HG21 VAL B 5 -5.077 -11.873 -3.063 1.00 0.57 H new ATOM 0 HG22 VAL B 5 -5.133 -11.604 -1.304 1.00 0.57 H new ATOM 0 HG23 VAL B 5 -6.350 -12.642 -2.085 1.00 0.57 H new ATOM 1324 N LYS B 6 -8.855 -8.395 -0.562 1.00 0.57 N ATOM 1325 CA LYS B 6 -9.835 -7.338 -0.732 1.00 0.59 C ATOM 1326 C LYS B 6 -9.179 -5.969 -0.815 1.00 0.77 C ATOM 1327 O LYS B 6 -8.438 -5.563 0.080 1.00 0.89 O ATOM 1328 CB LYS B 6 -10.829 -7.361 0.427 1.00 0.59 C ATOM 1329 CG LYS B 6 -12.099 -6.573 0.159 1.00 0.89 C ATOM 1330 CD LYS B 6 -13.068 -6.679 1.323 1.00 1.36 C ATOM 1331 CE LYS B 6 -14.376 -5.967 1.023 1.00 1.66 C ATOM 1332 NZ LYS B 6 -15.149 -6.647 -0.050 1.00 2.10 N ATOM 0 H LYS B 6 -8.407 -8.413 0.354 1.00 0.57 H new ATOM 0 HA LYS B 6 -10.357 -7.518 -1.672 1.00 0.59 H new ATOM 0 HB2 LYS B 6 -11.094 -8.395 0.646 1.00 0.59 H new ATOM 0 HB3 LYS B 6 -10.345 -6.960 1.317 1.00 0.59 H new ATOM 0 HG2 LYS B 6 -11.850 -5.526 -0.016 1.00 0.89 H new ATOM 0 HG3 LYS B 6 -12.575 -6.944 -0.749 1.00 0.89 H new ATOM 0 HD2 LYS B 6 -13.265 -7.729 1.540 1.00 1.36 H new ATOM 0 HD3 LYS B 6 -12.615 -6.249 2.216 1.00 1.36 H new ATOM 0 HE2 LYS B 6 -14.979 -5.920 1.930 1.00 1.66 H new ATOM 0 HE3 LYS B 6 -14.169 -4.939 0.724 1.00 1.66 H new ATOM 0 HZ1 LYS B 6 -15.420 -5.953 -0.775 1.00 2.10 H new ATOM 0 HZ2 LYS B 6 -14.563 -7.389 -0.483 1.00 2.10 H new ATOM 0 HZ3 LYS B 6 -16.005 -7.075 0.357 1.00 2.10 H new ATOM 1346 N THR B 7 -9.452 -5.261 -1.900 1.00 0.98 N ATOM 1347 CA THR B 7 -8.916 -3.926 -2.082 1.00 1.24 C ATOM 1348 C THR B 7 -9.778 -2.937 -1.300 1.00 1.28 C ATOM 1349 O THR B 7 -10.914 -3.250 -0.932 1.00 1.19 O ATOM 1350 CB THR B 7 -8.851 -3.521 -3.577 1.00 1.42 C ATOM 1351 OG1 THR B 7 -8.176 -2.265 -3.721 1.00 2.41 O ATOM 1352 CG2 THR B 7 -10.239 -3.414 -4.186 1.00 1.57 C ATOM 0 H THR B 7 -10.041 -5.590 -2.665 1.00 0.98 H new ATOM 0 HA THR B 7 -7.893 -3.912 -1.707 1.00 1.24 H new ATOM 0 HB THR B 7 -8.300 -4.300 -4.104 1.00 1.42 H new ATOM 0 HG1 THR B 7 -7.214 -2.393 -3.584 1.00 2.41 H new ATOM 0 HG21 THR B 7 -10.155 -3.128 -5.235 1.00 1.57 H new ATOM 0 HG22 THR B 7 -10.744 -4.377 -4.111 1.00 1.57 H new ATOM 0 HG23 THR B 7 -10.815 -2.660 -3.649 1.00 1.57 H new ATOM 1360 N LEU B 8 -9.247 -1.749 -1.050 1.00 1.48 N ATOM 1361 CA LEU B 8 -9.970 -0.734 -0.289 1.00 1.61 C ATOM 1362 C LEU B 8 -11.187 -0.228 -1.055 1.00 1.52 C ATOM 1363 O LEU B 8 -12.110 0.337 -0.470 1.00 1.55 O ATOM 1364 CB LEU B 8 -9.041 0.430 0.056 1.00 1.99 C ATOM 1365 CG LEU B 8 -7.757 0.042 0.792 1.00 2.60 C ATOM 1366 CD1 LEU B 8 -6.916 1.272 1.080 1.00 2.87 C ATOM 1367 CD2 LEU B 8 -8.074 -0.700 2.083 1.00 3.45 C ATOM 0 H LEU B 8 -8.319 -1.462 -1.362 1.00 1.48 H new ATOM 0 HA LEU B 8 -10.322 -1.195 0.634 1.00 1.61 H new ATOM 0 HB2 LEU B 8 -8.771 0.944 -0.866 1.00 1.99 H new ATOM 0 HB3 LEU B 8 -9.591 1.144 0.669 1.00 1.99 H new ATOM 0 HG LEU B 8 -7.186 -0.626 0.147 1.00 2.60 H new ATOM 0 HD11 LEU B 8 -6.007 0.977 1.604 1.00 2.87 H new ATOM 0 HD12 LEU B 8 -6.652 1.760 0.142 1.00 2.87 H new ATOM 0 HD13 LEU B 8 -7.484 1.964 1.702 1.00 2.87 H new ATOM 0 HD21 LEU B 8 -7.145 -0.965 2.588 1.00 3.45 H new ATOM 0 HD22 LEU B 8 -8.671 -0.060 2.733 1.00 3.45 H new ATOM 0 HD23 LEU B 8 -8.634 -1.607 1.853 1.00 3.45 H new ATOM 1379 N THR B 9 -11.186 -0.440 -2.362 1.00 1.49 N ATOM 1380 CA THR B 9 -12.288 -0.012 -3.206 1.00 1.52 C ATOM 1381 C THR B 9 -13.512 -0.923 -3.039 1.00 1.33 C ATOM 1382 O THR B 9 -14.653 -0.459 -3.092 1.00 1.63 O ATOM 1383 CB THR B 9 -11.856 0.018 -4.684 1.00 1.73 C ATOM 1384 OG1 THR B 9 -10.451 0.302 -4.767 1.00 1.99 O ATOM 1385 CG2 THR B 9 -12.632 1.072 -5.456 1.00 1.90 C ATOM 0 H THR B 9 -10.430 -0.908 -2.862 1.00 1.49 H new ATOM 0 HA THR B 9 -12.568 0.994 -2.894 1.00 1.52 H new ATOM 0 HB THR B 9 -12.065 -0.957 -5.124 1.00 1.73 H new ATOM 0 HG1 THR B 9 -10.250 1.110 -4.251 1.00 1.99 H new ATOM 0 HG21 THR B 9 -12.308 1.073 -6.497 1.00 1.90 H new ATOM 0 HG22 THR B 9 -13.698 0.847 -5.408 1.00 1.90 H new ATOM 0 HG23 THR B 9 -12.448 2.053 -5.018 1.00 1.90 H new ATOM 1393 N GLY B 10 -13.276 -2.212 -2.810 1.00 0.95 N ATOM 1394 CA GLY B 10 -14.379 -3.141 -2.637 1.00 0.85 C ATOM 1395 C GLY B 10 -14.114 -4.500 -3.260 1.00 0.94 C ATOM 1396 O GLY B 10 -14.492 -5.527 -2.692 1.00 1.62 O ATOM 0 H GLY B 10 -12.347 -2.628 -2.741 1.00 0.95 H new ATOM 0 HA2 GLY B 10 -14.576 -3.268 -1.573 1.00 0.85 H new ATOM 0 HA3 GLY B 10 -15.279 -2.714 -3.079 1.00 0.85 H new ATOM 1400 N LYS B 11 -13.471 -4.495 -4.427 1.00 0.95 N ATOM 1401 CA LYS B 11 -13.137 -5.723 -5.157 1.00 0.97 C ATOM 1402 C LYS B 11 -12.479 -6.757 -4.241 1.00 0.86 C ATOM 1403 O LYS B 11 -11.563 -6.433 -3.480 1.00 0.85 O ATOM 1404 CB LYS B 11 -12.193 -5.388 -6.315 1.00 1.16 C ATOM 1405 CG LYS B 11 -12.244 -6.379 -7.465 1.00 1.35 C ATOM 1406 CD LYS B 11 -13.449 -6.137 -8.360 1.00 1.35 C ATOM 1407 CE LYS B 11 -13.352 -6.933 -9.653 1.00 1.46 C ATOM 1408 NZ LYS B 11 -13.038 -8.364 -9.407 1.00 1.62 N ATOM 0 H LYS B 11 -13.166 -3.642 -4.895 1.00 0.95 H new ATOM 0 HA LYS B 11 -14.062 -6.152 -5.541 1.00 0.97 H new ATOM 0 HB2 LYS B 11 -12.438 -4.396 -6.694 1.00 1.16 H new ATOM 0 HB3 LYS B 11 -11.172 -5.341 -5.935 1.00 1.16 H new ATOM 0 HG2 LYS B 11 -11.331 -6.300 -8.055 1.00 1.35 H new ATOM 0 HG3 LYS B 11 -12.282 -7.394 -7.070 1.00 1.35 H new ATOM 0 HD2 LYS B 11 -14.360 -6.414 -7.829 1.00 1.35 H new ATOM 0 HD3 LYS B 11 -13.525 -5.074 -8.590 1.00 1.35 H new ATOM 0 HE2 LYS B 11 -14.294 -6.857 -10.196 1.00 1.46 H new ATOM 0 HE3 LYS B 11 -12.581 -6.498 -10.289 1.00 1.46 H new ATOM 0 HZ1 LYS B 11 -13.164 -8.903 -10.287 1.00 1.62 H new ATOM 0 HZ2 LYS B 11 -12.053 -8.453 -9.084 1.00 1.62 H new ATOM 0 HZ3 LYS B 11 -13.677 -8.739 -8.677 1.00 1.62 H new ATOM 1422 N THR B 12 -12.941 -8.001 -4.324 1.00 0.80 N ATOM 1423 CA THR B 12 -12.404 -9.069 -3.492 1.00 0.72 C ATOM 1424 C THR B 12 -12.012 -10.280 -4.332 1.00 0.71 C ATOM 1425 O THR B 12 -12.828 -10.835 -5.068 1.00 0.85 O ATOM 1426 CB THR B 12 -13.420 -9.503 -2.420 1.00 0.76 C ATOM 1427 OG1 THR B 12 -14.117 -8.353 -1.921 1.00 0.93 O ATOM 1428 CG2 THR B 12 -12.723 -10.221 -1.272 1.00 0.69 C ATOM 0 H THR B 12 -13.685 -8.293 -4.958 1.00 0.80 H new ATOM 0 HA THR B 12 -11.514 -8.674 -3.001 1.00 0.72 H new ATOM 0 HB THR B 12 -14.131 -10.192 -2.876 1.00 0.76 H new ATOM 0 HG1 THR B 12 -15.060 -8.578 -1.779 1.00 0.93 H new ATOM 0 HG21 THR B 12 -13.461 -10.518 -0.527 1.00 0.69 H new ATOM 0 HG22 THR B 12 -12.214 -11.107 -1.652 1.00 0.69 H new ATOM 0 HG23 THR B 12 -11.994 -9.553 -0.814 1.00 0.69 H new ATOM 1436 N ILE B 13 -10.756 -10.673 -4.220 1.00 0.60 N ATOM 1437 CA ILE B 13 -10.231 -11.811 -4.960 1.00 0.59 C ATOM 1438 C ILE B 13 -10.016 -13.003 -4.031 1.00 0.56 C ATOM 1439 O ILE B 13 -9.559 -12.843 -2.900 1.00 0.55 O ATOM 1440 CB ILE B 13 -8.893 -11.459 -5.645 1.00 0.60 C ATOM 1441 CG1 ILE B 13 -8.961 -10.054 -6.248 1.00 0.65 C ATOM 1442 CG2 ILE B 13 -8.549 -12.481 -6.722 1.00 0.65 C ATOM 1443 CD1 ILE B 13 -7.620 -9.358 -6.316 1.00 0.70 C ATOM 0 H ILE B 13 -10.072 -10.216 -3.617 1.00 0.60 H new ATOM 0 HA ILE B 13 -10.964 -12.071 -5.723 1.00 0.59 H new ATOM 0 HB ILE B 13 -8.106 -11.481 -4.891 1.00 0.60 H new ATOM 0 HG12 ILE B 13 -9.378 -10.119 -7.253 1.00 0.65 H new ATOM 0 HG13 ILE B 13 -9.646 -9.447 -5.657 1.00 0.65 H new ATOM 0 HG21 ILE B 13 -7.602 -12.212 -7.190 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -8.462 -13.470 -6.271 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -9.336 -12.494 -7.476 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -7.746 -8.368 -6.754 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -7.209 -9.261 -5.311 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -6.937 -9.943 -6.932 1.00 0.70 H new ATOM 1455 N THR B 14 -10.357 -14.190 -4.504 1.00 0.57 N ATOM 1456 CA THR B 14 -10.186 -15.407 -3.728 1.00 0.57 C ATOM 1457 C THR B 14 -9.171 -16.306 -4.428 1.00 0.55 C ATOM 1458 O THR B 14 -9.343 -16.638 -5.601 1.00 0.64 O ATOM 1459 CB THR B 14 -11.525 -16.149 -3.567 1.00 0.69 C ATOM 1460 OG1 THR B 14 -12.604 -15.202 -3.560 1.00 0.92 O ATOM 1461 CG2 THR B 14 -11.549 -16.954 -2.279 1.00 1.13 C ATOM 0 H THR B 14 -10.758 -14.337 -5.430 1.00 0.57 H new ATOM 0 HA THR B 14 -9.825 -15.145 -2.733 1.00 0.57 H new ATOM 0 HB THR B 14 -11.640 -16.835 -4.406 1.00 0.69 H new ATOM 0 HG1 THR B 14 -13.455 -15.677 -3.459 1.00 0.92 H new ATOM 0 HG21 THR B 14 -12.506 -17.469 -2.189 1.00 1.13 H new ATOM 0 HG22 THR B 14 -10.743 -17.687 -2.293 1.00 1.13 H new ATOM 0 HG23 THR B 14 -11.416 -16.285 -1.429 1.00 1.13 H new ATOM 1469 N LEU B 15 -8.108 -16.686 -3.731 1.00 0.50 N ATOM 1470 CA LEU B 15 -7.072 -17.511 -4.343 1.00 0.54 C ATOM 1471 C LEU B 15 -6.673 -18.687 -3.460 1.00 0.53 C ATOM 1472 O LEU B 15 -6.954 -18.712 -2.258 1.00 0.54 O ATOM 1473 CB LEU B 15 -5.827 -16.667 -4.614 1.00 0.60 C ATOM 1474 CG LEU B 15 -6.070 -15.323 -5.300 1.00 0.78 C ATOM 1475 CD1 LEU B 15 -4.897 -14.392 -5.053 1.00 1.42 C ATOM 1476 CD2 LEU B 15 -6.297 -15.516 -6.791 1.00 0.72 C ATOM 0 H LEU B 15 -7.940 -16.441 -2.755 1.00 0.50 H new ATOM 0 HA LEU B 15 -7.486 -17.902 -5.272 1.00 0.54 H new ATOM 0 HB2 LEU B 15 -5.322 -16.483 -3.665 1.00 0.60 H new ATOM 0 HB3 LEU B 15 -5.143 -17.250 -5.231 1.00 0.60 H new ATOM 0 HG LEU B 15 -6.968 -14.872 -4.877 1.00 0.78 H new ATOM 0 HD11 LEU B 15 -5.080 -13.437 -5.546 1.00 1.42 H new ATOM 0 HD12 LEU B 15 -4.780 -14.230 -3.981 1.00 1.42 H new ATOM 0 HD13 LEU B 15 -3.987 -14.839 -5.454 1.00 1.42 H new ATOM 0 HD21 LEU B 15 -6.468 -14.548 -7.261 1.00 0.72 H new ATOM 0 HD22 LEU B 15 -5.419 -15.985 -7.235 1.00 0.72 H new ATOM 0 HD23 LEU B 15 -7.167 -16.154 -6.947 1.00 0.72 H new ATOM 1488 N GLU B 16 -6.014 -19.656 -4.081 1.00 0.55 N ATOM 1489 CA GLU B 16 -5.515 -20.829 -3.389 1.00 0.55 C ATOM 1490 C GLU B 16 -3.999 -20.737 -3.333 1.00 0.53 C ATOM 1491 O GLU B 16 -3.314 -20.929 -4.336 1.00 0.54 O ATOM 1492 CB GLU B 16 -5.943 -22.116 -4.096 1.00 0.62 C ATOM 1493 CG GLU B 16 -6.953 -22.937 -3.311 1.00 1.06 C ATOM 1494 CD GLU B 16 -6.387 -23.520 -2.027 1.00 1.22 C ATOM 1495 OE1 GLU B 16 -5.149 -23.671 -1.920 1.00 1.68 O ATOM 1496 OE2 GLU B 16 -7.182 -23.837 -1.115 1.00 1.71 O ATOM 0 H GLU B 16 -5.812 -19.648 -5.081 1.00 0.55 H new ATOM 0 HA GLU B 16 -5.932 -20.860 -2.382 1.00 0.55 H new ATOM 0 HB2 GLU B 16 -6.370 -21.862 -5.066 1.00 0.62 H new ATOM 0 HB3 GLU B 16 -5.060 -22.727 -4.286 1.00 0.62 H new ATOM 0 HG2 GLU B 16 -7.811 -22.310 -3.070 1.00 1.06 H new ATOM 0 HG3 GLU B 16 -7.318 -23.749 -3.940 1.00 1.06 H new ATOM 1503 N VAL B 17 -3.491 -20.429 -2.160 1.00 0.54 N ATOM 1504 CA VAL B 17 -2.061 -20.266 -1.969 1.00 0.54 C ATOM 1505 C VAL B 17 -1.535 -21.233 -0.930 1.00 0.56 C ATOM 1506 O VAL B 17 -2.289 -21.746 -0.103 1.00 0.57 O ATOM 1507 CB VAL B 17 -1.708 -18.832 -1.525 1.00 0.57 C ATOM 1508 CG1 VAL B 17 -2.108 -17.821 -2.584 1.00 0.62 C ATOM 1509 CG2 VAL B 17 -2.371 -18.507 -0.195 1.00 0.58 C ATOM 0 H VAL B 17 -4.048 -20.285 -1.318 1.00 0.54 H new ATOM 0 HA VAL B 17 -1.594 -20.470 -2.932 1.00 0.54 H new ATOM 0 HB VAL B 17 -0.627 -18.774 -1.395 1.00 0.57 H new ATOM 0 HG11 VAL B 17 -1.848 -16.818 -2.246 1.00 0.62 H new ATOM 0 HG12 VAL B 17 -1.581 -18.039 -3.513 1.00 0.62 H new ATOM 0 HG13 VAL B 17 -3.183 -17.879 -2.755 1.00 0.62 H new ATOM 0 HG21 VAL B 17 -2.111 -17.491 0.103 1.00 0.58 H new ATOM 0 HG22 VAL B 17 -3.453 -18.589 -0.298 1.00 0.58 H new ATOM 0 HG23 VAL B 17 -2.025 -19.208 0.565 1.00 0.58 H new ATOM 1519 N GLU B 18 -0.246 -21.501 -0.995 1.00 0.59 N ATOM 1520 CA GLU B 18 0.398 -22.375 -0.039 1.00 0.65 C ATOM 1521 C GLU B 18 1.054 -21.521 1.038 1.00 0.68 C ATOM 1522 O GLU B 18 1.470 -20.398 0.762 1.00 0.70 O ATOM 1523 CB GLU B 18 1.446 -23.236 -0.749 1.00 0.73 C ATOM 1524 CG GLU B 18 0.919 -23.918 -2.000 1.00 1.05 C ATOM 1525 CD GLU B 18 2.028 -24.462 -2.870 1.00 1.91 C ATOM 1526 OE1 GLU B 18 2.741 -25.386 -2.422 1.00 2.32 O ATOM 1527 OE2 GLU B 18 2.198 -23.969 -4.004 1.00 2.71 O ATOM 0 H GLU B 18 0.379 -21.122 -1.706 1.00 0.59 H new ATOM 0 HA GLU B 18 -0.337 -23.036 0.419 1.00 0.65 H new ATOM 0 HB2 GLU B 18 2.298 -22.611 -1.016 1.00 0.73 H new ATOM 0 HB3 GLU B 18 1.812 -23.995 -0.057 1.00 0.73 H new ATOM 0 HG2 GLU B 18 0.253 -24.732 -1.714 1.00 1.05 H new ATOM 0 HG3 GLU B 18 0.325 -23.208 -2.575 1.00 1.05 H new ATOM 1534 N PRO B 19 1.143 -22.017 2.278 1.00 0.79 N ATOM 1535 CA PRO B 19 1.761 -21.264 3.379 1.00 0.90 C ATOM 1536 C PRO B 19 3.215 -20.891 3.082 1.00 0.88 C ATOM 1537 O PRO B 19 3.717 -19.863 3.545 1.00 0.99 O ATOM 1538 CB PRO B 19 1.683 -22.232 4.564 1.00 1.03 C ATOM 1539 CG PRO B 19 0.589 -23.182 4.214 1.00 1.09 C ATOM 1540 CD PRO B 19 0.634 -23.327 2.721 1.00 0.88 C ATOM 0 HA PRO B 19 1.256 -20.315 3.558 1.00 0.90 H new ATOM 0 HB2 PRO B 19 2.628 -22.755 4.710 1.00 1.03 H new ATOM 0 HB3 PRO B 19 1.465 -21.703 5.492 1.00 1.03 H new ATOM 0 HG2 PRO B 19 0.735 -24.144 4.705 1.00 1.09 H new ATOM 0 HG3 PRO B 19 -0.379 -22.801 4.541 1.00 1.09 H new ATOM 0 HD2 PRO B 19 1.291 -24.141 2.414 1.00 0.88 H new ATOM 0 HD3 PRO B 19 -0.351 -23.539 2.306 1.00 0.88 H new ATOM 1548 N SER B 20 3.885 -21.727 2.304 1.00 0.82 N ATOM 1549 CA SER B 20 5.273 -21.492 1.942 1.00 0.88 C ATOM 1550 C SER B 20 5.409 -20.748 0.614 1.00 0.86 C ATOM 1551 O SER B 20 6.517 -20.610 0.094 1.00 0.90 O ATOM 1552 CB SER B 20 5.998 -22.828 1.853 1.00 0.92 C ATOM 1553 OG SER B 20 5.454 -23.761 2.772 1.00 0.87 O ATOM 0 H SER B 20 3.486 -22.579 1.909 1.00 0.82 H new ATOM 0 HA SER B 20 5.717 -20.863 2.714 1.00 0.88 H new ATOM 0 HB2 SER B 20 5.920 -23.222 0.840 1.00 0.92 H new ATOM 0 HB3 SER B 20 7.059 -22.685 2.059 1.00 0.92 H new ATOM 0 HG SER B 20 5.934 -24.612 2.696 1.00 0.87 H new ATOM 1559 N ASP B 21 4.299 -20.270 0.061 1.00 0.81 N ATOM 1560 CA ASP B 21 4.335 -19.546 -1.210 1.00 0.80 C ATOM 1561 C ASP B 21 5.019 -18.191 -1.038 1.00 0.82 C ATOM 1562 O ASP B 21 5.224 -17.724 0.088 1.00 0.83 O ATOM 1563 CB ASP B 21 2.915 -19.358 -1.758 1.00 0.75 C ATOM 1564 CG ASP B 21 2.884 -19.145 -3.261 1.00 0.91 C ATOM 1565 OD1 ASP B 21 3.872 -19.502 -3.937 1.00 1.10 O ATOM 1566 OD2 ASP B 21 1.865 -18.638 -3.774 1.00 1.08 O ATOM 0 H ASP B 21 3.369 -20.368 0.467 1.00 0.81 H new ATOM 0 HA ASP B 21 4.910 -20.135 -1.924 1.00 0.80 H new ATOM 0 HB2 ASP B 21 2.316 -20.234 -1.508 1.00 0.75 H new ATOM 0 HB3 ASP B 21 2.451 -18.503 -1.266 1.00 0.75 H new ATOM 1571 N THR B 22 5.355 -17.555 -2.150 1.00 0.85 N ATOM 1572 CA THR B 22 6.021 -16.267 -2.116 1.00 0.89 C ATOM 1573 C THR B 22 5.047 -15.149 -2.471 1.00 0.79 C ATOM 1574 O THR B 22 4.097 -15.360 -3.225 1.00 0.73 O ATOM 1575 CB THR B 22 7.216 -16.235 -3.085 1.00 1.01 C ATOM 1576 OG1 THR B 22 6.884 -16.925 -4.295 1.00 1.11 O ATOM 1577 CG2 THR B 22 8.447 -16.870 -2.454 1.00 1.20 C ATOM 0 H THR B 22 5.176 -17.913 -3.088 1.00 0.85 H new ATOM 0 HA THR B 22 6.389 -16.114 -1.102 1.00 0.89 H new ATOM 0 HB THR B 22 7.442 -15.193 -3.311 1.00 1.01 H new ATOM 0 HG1 THR B 22 7.334 -16.494 -5.051 1.00 1.11 H new ATOM 0 HG21 THR B 22 9.277 -16.834 -3.160 1.00 1.20 H new ATOM 0 HG22 THR B 22 8.716 -16.323 -1.550 1.00 1.20 H new ATOM 0 HG23 THR B 22 8.231 -17.908 -2.200 1.00 1.20 H new ATOM 1585 N ILE B 23 5.294 -13.963 -1.926 1.00 0.80 N ATOM 1586 CA ILE B 23 4.444 -12.800 -2.170 1.00 0.73 C ATOM 1587 C ILE B 23 4.313 -12.515 -3.666 1.00 0.72 C ATOM 1588 O ILE B 23 3.239 -12.155 -4.147 1.00 0.66 O ATOM 1589 CB ILE B 23 5.001 -11.544 -1.454 1.00 0.78 C ATOM 1590 CG1 ILE B 23 5.155 -11.802 0.051 1.00 0.87 C ATOM 1591 CG2 ILE B 23 4.104 -10.336 -1.699 1.00 0.70 C ATOM 1592 CD1 ILE B 23 3.903 -12.338 0.715 1.00 0.80 C ATOM 0 H ILE B 23 6.083 -13.780 -1.306 1.00 0.80 H new ATOM 0 HA ILE B 23 3.458 -13.032 -1.767 1.00 0.73 H new ATOM 0 HB ILE B 23 5.985 -11.328 -1.869 1.00 0.78 H new ATOM 0 HG12 ILE B 23 5.968 -12.511 0.206 1.00 0.87 H new ATOM 0 HG13 ILE B 23 5.444 -10.872 0.541 1.00 0.87 H new ATOM 0 HG21 ILE B 23 4.516 -9.467 -1.186 1.00 0.70 H new ATOM 0 HG22 ILE B 23 4.050 -10.134 -2.769 1.00 0.70 H new ATOM 0 HG23 ILE B 23 3.104 -10.542 -1.317 1.00 0.70 H new ATOM 0 HD11 ILE B 23 4.093 -12.494 1.777 1.00 0.80 H new ATOM 0 HD12 ILE B 23 3.091 -11.621 0.593 1.00 0.80 H new ATOM 0 HD13 ILE B 23 3.623 -13.285 0.253 1.00 0.80 H new ATOM 1604 N GLU B 24 5.401 -12.704 -4.398 1.00 0.80 N ATOM 1605 CA GLU B 24 5.405 -12.459 -5.831 1.00 0.84 C ATOM 1606 C GLU B 24 4.545 -13.490 -6.568 1.00 0.80 C ATOM 1607 O GLU B 24 3.866 -13.159 -7.540 1.00 0.80 O ATOM 1608 CB GLU B 24 6.849 -12.449 -6.358 1.00 0.98 C ATOM 1609 CG GLU B 24 7.111 -13.403 -7.515 1.00 1.20 C ATOM 1610 CD GLU B 24 8.033 -14.541 -7.133 1.00 2.26 C ATOM 1611 OE1 GLU B 24 7.717 -15.279 -6.176 1.00 3.05 O ATOM 1612 OE2 GLU B 24 9.082 -14.700 -7.790 1.00 2.73 O ATOM 0 H GLU B 24 6.293 -13.027 -4.022 1.00 0.80 H new ATOM 0 HA GLU B 24 4.965 -11.480 -6.021 1.00 0.84 H new ATOM 0 HB2 GLU B 24 7.098 -11.437 -6.676 1.00 0.98 H new ATOM 0 HB3 GLU B 24 7.522 -12.700 -5.538 1.00 0.98 H new ATOM 0 HG2 GLU B 24 6.163 -13.811 -7.867 1.00 1.20 H new ATOM 0 HG3 GLU B 24 7.548 -12.849 -8.346 1.00 1.20 H new ATOM 1619 N ASN B 25 4.549 -14.728 -6.081 1.00 0.80 N ATOM 1620 CA ASN B 25 3.775 -15.791 -6.712 1.00 0.79 C ATOM 1621 C ASN B 25 2.284 -15.605 -6.446 1.00 0.71 C ATOM 1622 O ASN B 25 1.441 -16.098 -7.198 1.00 0.72 O ATOM 1623 CB ASN B 25 4.229 -17.165 -6.229 1.00 0.80 C ATOM 1624 CG ASN B 25 3.765 -18.274 -7.150 1.00 0.84 C ATOM 1625 OD1 ASN B 25 3.635 -18.082 -8.358 1.00 1.06 O ATOM 1626 ND2 ASN B 25 3.499 -19.437 -6.586 1.00 1.12 N ATOM 0 H ASN B 25 5.076 -15.018 -5.257 1.00 0.80 H new ATOM 0 HA ASN B 25 3.948 -15.733 -7.787 1.00 0.79 H new ATOM 0 HB2 ASN B 25 5.317 -17.183 -6.159 1.00 0.80 H new ATOM 0 HB3 ASN B 25 3.842 -17.342 -5.225 1.00 0.80 H new ATOM 0 HD21 ASN B 25 3.173 -20.217 -7.156 1.00 1.12 H new ATOM 0 HD22 ASN B 25 3.620 -19.556 -5.580 1.00 1.12 H new ATOM 1633 N VAL B 26 1.956 -14.908 -5.363 1.00 0.67 N ATOM 1634 CA VAL B 26 0.564 -14.630 -5.041 1.00 0.60 C ATOM 1635 C VAL B 26 0.021 -13.638 -6.062 1.00 0.58 C ATOM 1636 O VAL B 26 -1.129 -13.730 -6.498 1.00 0.58 O ATOM 1637 CB VAL B 26 0.398 -14.056 -3.617 1.00 0.58 C ATOM 1638 CG1 VAL B 26 -1.066 -13.773 -3.307 1.00 0.53 C ATOM 1639 CG2 VAL B 26 0.985 -15.010 -2.588 1.00 0.62 C ATOM 0 H VAL B 26 2.631 -14.528 -4.699 1.00 0.67 H new ATOM 0 HA VAL B 26 0.009 -15.567 -5.076 1.00 0.60 H new ATOM 0 HB VAL B 26 0.941 -13.112 -3.568 1.00 0.58 H new ATOM 0 HG11 VAL B 26 -1.153 -13.370 -2.298 1.00 0.53 H new ATOM 0 HG12 VAL B 26 -1.456 -13.049 -4.022 1.00 0.53 H new ATOM 0 HG13 VAL B 26 -1.638 -14.698 -3.379 1.00 0.53 H new ATOM 0 HG21 VAL B 26 0.860 -14.590 -1.590 1.00 0.62 H new ATOM 0 HG22 VAL B 26 0.470 -15.969 -2.646 1.00 0.62 H new ATOM 0 HG23 VAL B 26 2.046 -15.155 -2.790 1.00 0.62 H new ATOM 1649 N LYS B 27 0.890 -12.718 -6.469 1.00 0.60 N ATOM 1650 CA LYS B 27 0.546 -11.704 -7.455 1.00 0.60 C ATOM 1651 C LYS B 27 0.286 -12.355 -8.809 1.00 0.62 C ATOM 1652 O LYS B 27 -0.545 -11.890 -9.593 1.00 0.61 O ATOM 1653 CB LYS B 27 1.679 -10.689 -7.597 1.00 0.64 C ATOM 1654 CG LYS B 27 1.986 -9.914 -6.329 1.00 0.59 C ATOM 1655 CD LYS B 27 3.149 -8.964 -6.543 1.00 0.66 C ATOM 1656 CE LYS B 27 3.312 -8.007 -5.378 1.00 0.96 C ATOM 1657 NZ LYS B 27 4.232 -6.890 -5.708 1.00 0.99 N ATOM 0 H LYS B 27 1.848 -12.656 -6.125 1.00 0.60 H new ATOM 0 HA LYS B 27 -0.355 -11.192 -7.116 1.00 0.60 H new ATOM 0 HB2 LYS B 27 2.581 -11.211 -7.917 1.00 0.64 H new ATOM 0 HB3 LYS B 27 1.422 -9.983 -8.387 1.00 0.64 H new ATOM 0 HG2 LYS B 27 1.105 -9.352 -6.019 1.00 0.59 H new ATOM 0 HG3 LYS B 27 2.222 -10.608 -5.522 1.00 0.59 H new ATOM 0 HD2 LYS B 27 4.067 -9.536 -6.675 1.00 0.66 H new ATOM 0 HD3 LYS B 27 2.992 -8.397 -7.461 1.00 0.66 H new ATOM 0 HE2 LYS B 27 2.338 -7.605 -5.098 1.00 0.96 H new ATOM 0 HE3 LYS B 27 3.694 -8.549 -4.513 1.00 0.96 H new ATOM 0 HZ1 LYS B 27 4.090 -6.112 -5.032 1.00 0.99 H new ATOM 0 HZ2 LYS B 27 5.216 -7.222 -5.652 1.00 0.99 H new ATOM 0 HZ3 LYS B 27 4.036 -6.552 -6.672 1.00 0.99 H new ATOM 1671 N ALA B 28 0.990 -13.453 -9.062 1.00 0.67 N ATOM 1672 CA ALA B 28 0.858 -14.180 -10.316 1.00 0.73 C ATOM 1673 C ALA B 28 -0.519 -14.818 -10.413 1.00 0.71 C ATOM 1674 O ALA B 28 -1.051 -15.021 -11.506 1.00 0.74 O ATOM 1675 CB ALA B 28 1.946 -15.240 -10.425 1.00 0.81 C ATOM 0 H ALA B 28 1.661 -13.860 -8.410 1.00 0.67 H new ATOM 0 HA ALA B 28 0.972 -13.479 -11.143 1.00 0.73 H new ATOM 0 HB1 ALA B 28 1.837 -15.777 -11.367 1.00 0.81 H new ATOM 0 HB2 ALA B 28 2.925 -14.762 -10.391 1.00 0.81 H new ATOM 0 HB3 ALA B 28 1.856 -15.941 -9.595 1.00 0.81 H new ATOM 1681 N LYS B 29 -1.100 -15.108 -9.259 1.00 0.68 N ATOM 1682 CA LYS B 29 -2.419 -15.712 -9.200 1.00 0.70 C ATOM 1683 C LYS B 29 -3.480 -14.664 -9.507 1.00 0.70 C ATOM 1684 O LYS B 29 -4.408 -14.921 -10.271 1.00 0.76 O ATOM 1685 CB LYS B 29 -2.648 -16.350 -7.831 1.00 0.69 C ATOM 1686 CG LYS B 29 -1.677 -17.483 -7.539 1.00 0.74 C ATOM 1687 CD LYS B 29 -1.795 -17.971 -6.107 1.00 0.77 C ATOM 1688 CE LYS B 29 -0.916 -19.187 -5.864 1.00 0.84 C ATOM 1689 NZ LYS B 29 0.530 -18.870 -6.000 1.00 1.26 N ATOM 0 H LYS B 29 -0.676 -14.933 -8.348 1.00 0.68 H new ATOM 0 HA LYS B 29 -2.490 -16.500 -9.950 1.00 0.70 H new ATOM 0 HB2 LYS B 29 -2.551 -15.587 -7.059 1.00 0.69 H new ATOM 0 HB3 LYS B 29 -3.668 -16.729 -7.778 1.00 0.69 H new ATOM 0 HG2 LYS B 29 -1.868 -18.311 -8.222 1.00 0.74 H new ATOM 0 HG3 LYS B 29 -0.658 -17.145 -7.725 1.00 0.74 H new ATOM 0 HD2 LYS B 29 -1.510 -17.171 -5.423 1.00 0.77 H new ATOM 0 HD3 LYS B 29 -2.834 -18.221 -5.890 1.00 0.77 H new ATOM 0 HE2 LYS B 29 -1.108 -19.578 -4.865 1.00 0.84 H new ATOM 0 HE3 LYS B 29 -1.182 -19.973 -6.571 1.00 0.84 H new ATOM 0 HZ1 LYS B 29 0.940 -19.441 -6.767 1.00 1.26 H new ATOM 0 HZ2 LYS B 29 0.645 -17.860 -6.221 1.00 1.26 H new ATOM 0 HZ3 LYS B 29 1.018 -19.087 -5.108 1.00 1.26 H new ATOM 1703 N ILE B 30 -3.345 -13.479 -8.912 1.00 0.65 N ATOM 1704 CA ILE B 30 -4.276 -12.385 -9.176 1.00 0.67 C ATOM 1705 C ILE B 30 -4.217 -11.996 -10.653 1.00 0.70 C ATOM 1706 O ILE B 30 -5.220 -11.610 -11.254 1.00 0.72 O ATOM 1707 CB ILE B 30 -3.957 -11.152 -8.297 1.00 0.63 C ATOM 1708 CG1 ILE B 30 -4.140 -11.498 -6.818 1.00 0.69 C ATOM 1709 CG2 ILE B 30 -4.835 -9.966 -8.684 1.00 0.67 C ATOM 1710 CD1 ILE B 30 -3.691 -10.408 -5.869 1.00 0.67 C ATOM 0 H ILE B 30 -2.604 -13.254 -8.248 1.00 0.65 H new ATOM 0 HA ILE B 30 -5.280 -12.729 -8.928 1.00 0.67 H new ATOM 0 HB ILE B 30 -2.918 -10.869 -8.464 1.00 0.63 H new ATOM 0 HG12 ILE B 30 -5.192 -11.715 -6.634 1.00 0.69 H new ATOM 0 HG13 ILE B 30 -3.584 -12.409 -6.597 1.00 0.69 H new ATOM 0 HG21 ILE B 30 -4.592 -9.112 -8.052 1.00 0.67 H new ATOM 0 HG22 ILE B 30 -4.658 -9.707 -9.728 1.00 0.67 H new ATOM 0 HG23 ILE B 30 -5.884 -10.230 -8.549 1.00 0.67 H new ATOM 0 HD11 ILE B 30 -3.854 -10.731 -4.841 1.00 0.67 H new ATOM 0 HD12 ILE B 30 -2.631 -10.206 -6.022 1.00 0.67 H new ATOM 0 HD13 ILE B 30 -4.264 -9.501 -6.059 1.00 0.67 H new ATOM 1722 N GLN B 31 -3.038 -12.152 -11.240 1.00 0.74 N ATOM 1723 CA GLN B 31 -2.828 -11.834 -12.646 1.00 0.80 C ATOM 1724 C GLN B 31 -3.532 -12.860 -13.530 1.00 0.88 C ATOM 1725 O GLN B 31 -3.967 -12.554 -14.639 1.00 0.90 O ATOM 1726 CB GLN B 31 -1.329 -11.810 -12.953 1.00 0.83 C ATOM 1727 CG GLN B 31 -0.997 -11.466 -14.395 1.00 0.92 C ATOM 1728 CD GLN B 31 0.484 -11.589 -14.690 1.00 0.95 C ATOM 1729 OE1 GLN B 31 1.185 -12.396 -14.080 1.00 1.10 O ATOM 1730 NE2 GLN B 31 0.971 -10.788 -15.621 1.00 1.26 N ATOM 0 H GLN B 31 -2.207 -12.499 -10.760 1.00 0.74 H new ATOM 0 HA GLN B 31 -3.249 -10.850 -12.854 1.00 0.80 H new ATOM 0 HB2 GLN B 31 -0.846 -11.085 -12.297 1.00 0.83 H new ATOM 0 HB3 GLN B 31 -0.905 -12.786 -12.717 1.00 0.83 H new ATOM 0 HG2 GLN B 31 -1.554 -12.126 -15.061 1.00 0.92 H new ATOM 0 HG3 GLN B 31 -1.324 -10.448 -14.608 1.00 0.92 H new ATOM 0 HE21 GLN B 31 0.355 -10.133 -16.103 1.00 1.26 H new ATOM 0 HE22 GLN B 31 1.963 -10.825 -15.858 1.00 1.26 H new ATOM 1739 N ASP B 32 -3.666 -14.070 -13.007 1.00 0.95 N ATOM 1740 CA ASP B 32 -4.312 -15.157 -13.733 1.00 1.04 C ATOM 1741 C ASP B 32 -5.830 -15.021 -13.691 1.00 1.07 C ATOM 1742 O ASP B 32 -6.543 -15.655 -14.468 1.00 1.20 O ATOM 1743 CB ASP B 32 -3.898 -16.501 -13.140 1.00 1.03 C ATOM 1744 CG ASP B 32 -3.542 -17.514 -14.207 1.00 1.52 C ATOM 1745 OD1 ASP B 32 -4.463 -18.096 -14.817 1.00 1.80 O ATOM 1746 OD2 ASP B 32 -2.335 -17.738 -14.433 1.00 2.04 O ATOM 0 H ASP B 32 -3.334 -14.326 -12.077 1.00 0.95 H new ATOM 0 HA ASP B 32 -3.992 -15.105 -14.774 1.00 1.04 H new ATOM 0 HB2 ASP B 32 -3.043 -16.356 -12.480 1.00 1.03 H new ATOM 0 HB3 ASP B 32 -4.711 -16.892 -12.528 1.00 1.03 H new ATOM 1751 N LYS B 33 -6.323 -14.203 -12.772 1.00 0.98 N ATOM 1752 CA LYS B 33 -7.758 -13.987 -12.639 1.00 1.04 C ATOM 1753 C LYS B 33 -8.142 -12.569 -13.058 1.00 1.03 C ATOM 1754 O LYS B 33 -8.708 -12.359 -14.129 1.00 1.08 O ATOM 1755 CB LYS B 33 -8.212 -14.244 -11.198 1.00 0.98 C ATOM 1756 CG LYS B 33 -8.189 -15.712 -10.800 1.00 1.28 C ATOM 1757 CD LYS B 33 -8.979 -15.951 -9.522 1.00 1.27 C ATOM 1758 CE LYS B 33 -8.976 -17.420 -9.134 1.00 1.92 C ATOM 1759 NZ LYS B 33 -9.918 -17.712 -8.020 1.00 2.27 N ATOM 0 H LYS B 33 -5.753 -13.679 -12.109 1.00 0.98 H new ATOM 0 HA LYS B 33 -8.261 -14.692 -13.301 1.00 1.04 H new ATOM 0 HB2 LYS B 33 -7.570 -13.683 -10.519 1.00 0.98 H new ATOM 0 HB3 LYS B 33 -9.224 -13.859 -11.071 1.00 0.98 H new ATOM 0 HG2 LYS B 33 -8.606 -16.316 -11.606 1.00 1.28 H new ATOM 0 HG3 LYS B 33 -7.158 -16.037 -10.659 1.00 1.28 H new ATOM 0 HD2 LYS B 33 -8.552 -15.359 -8.713 1.00 1.27 H new ATOM 0 HD3 LYS B 33 -10.006 -15.611 -9.658 1.00 1.27 H new ATOM 0 HE2 LYS B 33 -9.245 -18.023 -10.001 1.00 1.92 H new ATOM 0 HE3 LYS B 33 -7.968 -17.714 -8.841 1.00 1.92 H new ATOM 0 HZ1 LYS B 33 -9.970 -18.740 -7.870 1.00 2.27 H new ATOM 0 HZ2 LYS B 33 -9.581 -17.251 -7.151 1.00 2.27 H new ATOM 0 HZ3 LYS B 33 -10.863 -17.349 -8.260 1.00 2.27 H new ATOM 1773 N GLU B 34 -7.810 -11.601 -12.210 1.00 0.99 N ATOM 1774 CA GLU B 34 -8.121 -10.197 -12.464 1.00 0.98 C ATOM 1775 C GLU B 34 -7.297 -9.625 -13.618 1.00 0.99 C ATOM 1776 O GLU B 34 -7.612 -8.558 -14.140 1.00 0.99 O ATOM 1777 CB GLU B 34 -7.868 -9.373 -11.204 1.00 0.91 C ATOM 1778 CG GLU B 34 -8.573 -9.904 -9.966 1.00 0.92 C ATOM 1779 CD GLU B 34 -10.046 -9.556 -9.936 1.00 1.10 C ATOM 1780 OE1 GLU B 34 -10.384 -8.402 -9.604 1.00 1.30 O ATOM 1781 OE2 GLU B 34 -10.879 -10.437 -10.241 1.00 1.20 O ATOM 0 H GLU B 34 -7.320 -11.766 -11.331 1.00 0.99 H new ATOM 0 HA GLU B 34 -9.173 -10.142 -12.744 1.00 0.98 H new ATOM 0 HB2 GLU B 34 -6.795 -9.340 -11.013 1.00 0.91 H new ATOM 0 HB3 GLU B 34 -8.191 -8.347 -11.382 1.00 0.91 H new ATOM 0 HG2 GLU B 34 -8.459 -10.987 -9.925 1.00 0.92 H new ATOM 0 HG3 GLU B 34 -8.090 -9.499 -9.077 1.00 0.92 H new ATOM 1788 N GLY B 35 -6.241 -10.331 -14.006 1.00 1.00 N ATOM 1789 CA GLY B 35 -5.391 -9.868 -15.092 1.00 1.02 C ATOM 1790 C GLY B 35 -4.511 -8.689 -14.707 1.00 0.97 C ATOM 1791 O GLY B 35 -3.827 -8.115 -15.558 1.00 1.00 O ATOM 0 H GLY B 35 -5.956 -11.217 -13.589 1.00 1.00 H new ATOM 0 HA2 GLY B 35 -4.759 -10.691 -15.425 1.00 1.02 H new ATOM 0 HA3 GLY B 35 -6.017 -9.584 -15.938 1.00 1.02 H new ATOM 1795 N ILE B 36 -4.524 -8.328 -13.431 1.00 0.89 N ATOM 1796 CA ILE B 36 -3.729 -7.209 -12.941 1.00 0.84 C ATOM 1797 C ILE B 36 -2.248 -7.574 -12.915 1.00 0.83 C ATOM 1798 O ILE B 36 -1.881 -8.624 -12.394 1.00 0.80 O ATOM 1799 CB ILE B 36 -4.171 -6.785 -11.519 1.00 0.79 C ATOM 1800 CG1 ILE B 36 -5.673 -6.498 -11.485 1.00 0.82 C ATOM 1801 CG2 ILE B 36 -3.391 -5.562 -11.059 1.00 0.74 C ATOM 1802 CD1 ILE B 36 -6.212 -6.247 -10.090 1.00 0.81 C ATOM 0 H ILE B 36 -5.078 -8.796 -12.714 1.00 0.89 H new ATOM 0 HA ILE B 36 -3.888 -6.374 -13.623 1.00 0.84 H new ATOM 0 HB ILE B 36 -3.960 -7.609 -10.837 1.00 0.79 H new ATOM 0 HG12 ILE B 36 -5.882 -5.629 -12.108 1.00 0.82 H new ATOM 0 HG13 ILE B 36 -6.206 -7.341 -11.925 1.00 0.82 H new ATOM 0 HG21 ILE B 36 -3.715 -5.279 -10.058 1.00 0.74 H new ATOM 0 HG22 ILE B 36 -2.326 -5.794 -11.043 1.00 0.74 H new ATOM 0 HG23 ILE B 36 -3.572 -4.735 -11.746 1.00 0.74 H new ATOM 0 HD11 ILE B 36 -7.283 -6.051 -10.144 1.00 0.81 H new ATOM 0 HD12 ILE B 36 -6.035 -7.124 -9.468 1.00 0.81 H new ATOM 0 HD13 ILE B 36 -5.707 -5.385 -9.654 1.00 0.81 H new ATOM 1814 N PRO B 37 -1.378 -6.732 -13.495 1.00 0.87 N ATOM 1815 CA PRO B 37 0.066 -6.980 -13.504 1.00 0.88 C ATOM 1816 C PRO B 37 0.632 -7.011 -12.084 1.00 0.79 C ATOM 1817 O PRO B 37 0.318 -6.140 -11.275 1.00 0.71 O ATOM 1818 CB PRO B 37 0.641 -5.793 -14.284 1.00 0.96 C ATOM 1819 CG PRO B 37 -0.513 -5.217 -15.032 1.00 1.01 C ATOM 1820 CD PRO B 37 -1.727 -5.484 -14.191 1.00 0.93 C ATOM 0 HA PRO B 37 0.316 -7.943 -13.948 1.00 0.88 H new ATOM 0 HB2 PRO B 37 1.081 -5.056 -13.611 1.00 0.96 H new ATOM 0 HB3 PRO B 37 1.430 -6.114 -14.964 1.00 0.96 H new ATOM 0 HG2 PRO B 37 -0.378 -4.148 -15.194 1.00 1.01 H new ATOM 0 HG3 PRO B 37 -0.610 -5.678 -16.015 1.00 1.01 H new ATOM 0 HD2 PRO B 37 -1.920 -4.671 -13.491 1.00 0.93 H new ATOM 0 HD3 PRO B 37 -2.623 -5.599 -14.801 1.00 0.93 H new ATOM 1828 N PRO B 38 1.458 -8.023 -11.763 1.00 0.82 N ATOM 1829 CA PRO B 38 2.071 -8.182 -10.431 1.00 0.76 C ATOM 1830 C PRO B 38 2.774 -6.923 -9.921 1.00 0.72 C ATOM 1831 O PRO B 38 2.755 -6.635 -8.722 1.00 0.67 O ATOM 1832 CB PRO B 38 3.084 -9.305 -10.645 1.00 0.86 C ATOM 1833 CG PRO B 38 2.508 -10.110 -11.753 1.00 0.95 C ATOM 1834 CD PRO B 38 1.841 -9.122 -12.668 1.00 0.93 C ATOM 0 HA PRO B 38 1.316 -8.391 -9.673 1.00 0.76 H new ATOM 0 HB2 PRO B 38 4.066 -8.911 -10.908 1.00 0.86 H new ATOM 0 HB3 PRO B 38 3.212 -9.903 -9.743 1.00 0.86 H new ATOM 0 HG2 PRO B 38 3.285 -10.667 -12.277 1.00 0.95 H new ATOM 0 HG3 PRO B 38 1.792 -10.840 -11.376 1.00 0.95 H new ATOM 0 HD2 PRO B 38 2.517 -8.780 -13.452 1.00 0.93 H new ATOM 0 HD3 PRO B 38 0.972 -9.556 -13.163 1.00 0.93 H new ATOM 1842 N ASP B 39 3.384 -6.171 -10.830 1.00 0.79 N ATOM 1843 CA ASP B 39 4.089 -4.943 -10.463 1.00 0.82 C ATOM 1844 C ASP B 39 3.109 -3.872 -9.993 1.00 0.72 C ATOM 1845 O ASP B 39 3.455 -2.989 -9.205 1.00 0.76 O ATOM 1846 CB ASP B 39 4.896 -4.418 -11.653 1.00 0.97 C ATOM 1847 CG ASP B 39 5.662 -3.149 -11.325 1.00 1.25 C ATOM 1848 OD1 ASP B 39 6.593 -3.211 -10.494 1.00 1.92 O ATOM 1849 OD2 ASP B 39 5.345 -2.085 -11.907 1.00 1.76 O ATOM 0 H ASP B 39 3.406 -6.388 -11.826 1.00 0.79 H new ATOM 0 HA ASP B 39 4.768 -5.177 -9.643 1.00 0.82 H new ATOM 0 HB2 ASP B 39 5.597 -5.187 -11.980 1.00 0.97 H new ATOM 0 HB3 ASP B 39 4.222 -4.226 -12.488 1.00 0.97 H new ATOM 1854 N GLN B 40 1.868 -3.997 -10.442 1.00 0.64 N ATOM 1855 CA GLN B 40 0.823 -3.038 -10.107 1.00 0.59 C ATOM 1856 C GLN B 40 0.054 -3.486 -8.872 1.00 0.52 C ATOM 1857 O GLN B 40 -0.848 -2.790 -8.403 1.00 0.54 O ATOM 1858 CB GLN B 40 -0.139 -2.868 -11.288 1.00 0.63 C ATOM 1859 CG GLN B 40 0.312 -1.830 -12.308 1.00 0.74 C ATOM 1860 CD GLN B 40 1.767 -1.990 -12.704 1.00 1.26 C ATOM 1861 OE1 GLN B 40 2.091 -2.738 -13.623 1.00 1.81 O ATOM 1862 NE2 GLN B 40 2.650 -1.287 -12.015 1.00 1.91 N ATOM 0 H GLN B 40 1.558 -4.760 -11.044 1.00 0.64 H new ATOM 0 HA GLN B 40 1.296 -2.080 -9.892 1.00 0.59 H new ATOM 0 HB2 GLN B 40 -0.256 -3.829 -11.790 1.00 0.63 H new ATOM 0 HB3 GLN B 40 -1.120 -2.586 -10.907 1.00 0.63 H new ATOM 0 HG2 GLN B 40 -0.313 -1.906 -13.198 1.00 0.74 H new ATOM 0 HG3 GLN B 40 0.160 -0.832 -11.896 1.00 0.74 H new ATOM 0 HE21 GLN B 40 2.338 -0.677 -11.259 1.00 1.91 H new ATOM 0 HE22 GLN B 40 3.643 -1.354 -12.240 1.00 1.91 H new ATOM 1871 N GLN B 41 0.428 -4.640 -8.338 1.00 0.46 N ATOM 1872 CA GLN B 41 -0.236 -5.189 -7.167 1.00 0.42 C ATOM 1873 C GLN B 41 0.560 -4.937 -5.894 1.00 0.46 C ATOM 1874 O GLN B 41 1.729 -5.307 -5.792 1.00 0.69 O ATOM 1875 CB GLN B 41 -0.424 -6.698 -7.311 1.00 0.45 C ATOM 1876 CG GLN B 41 -1.185 -7.133 -8.548 1.00 0.52 C ATOM 1877 CD GLN B 41 -1.255 -8.642 -8.639 1.00 0.59 C ATOM 1878 OE1 GLN B 41 -1.279 -9.327 -7.624 1.00 0.96 O ATOM 1879 NE2 GLN B 41 -1.279 -9.175 -9.846 1.00 0.74 N ATOM 0 H GLN B 41 1.190 -5.214 -8.699 1.00 0.46 H new ATOM 0 HA GLN B 41 -1.201 -4.688 -7.095 1.00 0.42 H new ATOM 0 HB2 GLN B 41 0.557 -7.172 -7.321 1.00 0.45 H new ATOM 0 HB3 GLN B 41 -0.948 -7.069 -6.431 1.00 0.45 H new ATOM 0 HG2 GLN B 41 -2.193 -6.719 -8.523 1.00 0.52 H new ATOM 0 HG3 GLN B 41 -0.698 -6.734 -9.438 1.00 0.52 H new ATOM 0 HE21 GLN B 41 -1.258 -8.574 -10.670 1.00 0.74 H new ATOM 0 HE22 GLN B 41 -1.319 -10.188 -9.955 1.00 0.74 H new ATOM 1888 N ARG B 42 -0.060 -4.266 -4.943 1.00 0.36 N ATOM 1889 CA ARG B 42 0.563 -4.033 -3.654 1.00 0.39 C ATOM 1890 C ARG B 42 -0.223 -4.772 -2.585 1.00 0.37 C ATOM 1891 O ARG B 42 -1.292 -4.329 -2.170 1.00 0.43 O ATOM 1892 CB ARG B 42 0.639 -2.539 -3.333 1.00 0.50 C ATOM 1893 CG ARG B 42 1.802 -1.835 -4.007 1.00 0.95 C ATOM 1894 CD ARG B 42 3.130 -2.488 -3.660 1.00 1.32 C ATOM 1895 NE ARG B 42 4.264 -1.773 -4.238 1.00 1.97 N ATOM 1896 CZ ARG B 42 4.660 -1.901 -5.504 1.00 2.64 C ATOM 1897 NH1 ARG B 42 3.975 -2.666 -6.351 1.00 3.02 N ATOM 1898 NH2 ARG B 42 5.732 -1.249 -5.932 1.00 3.22 N ATOM 0 H ARG B 42 -0.996 -3.872 -5.039 1.00 0.36 H new ATOM 0 HA ARG B 42 1.586 -4.408 -3.683 1.00 0.39 H new ATOM 0 HB2 ARG B 42 -0.292 -2.062 -3.639 1.00 0.50 H new ATOM 0 HB3 ARG B 42 0.723 -2.411 -2.254 1.00 0.50 H new ATOM 0 HG2 ARG B 42 1.660 -1.850 -5.088 1.00 0.95 H new ATOM 0 HG3 ARG B 42 1.820 -0.789 -3.703 1.00 0.95 H new ATOM 0 HD2 ARG B 42 3.241 -2.527 -2.576 1.00 1.32 H new ATOM 0 HD3 ARG B 42 3.131 -3.518 -4.018 1.00 1.32 H new ATOM 0 HE ARG B 42 4.785 -1.136 -3.636 1.00 1.97 H new ATOM 0 HH11 ARG B 42 3.141 -3.159 -6.033 1.00 3.02 H new ATOM 0 HH12 ARG B 42 4.284 -2.759 -7.319 1.00 3.02 H new ATOM 0 HH21 ARG B 42 6.253 -0.650 -5.292 1.00 3.22 H new ATOM 0 HH22 ARG B 42 6.035 -1.347 -6.901 1.00 3.22 H new ATOM 1912 N LEU B 43 0.301 -5.914 -2.171 1.00 0.38 N ATOM 1913 CA LEU B 43 -0.355 -6.740 -1.168 1.00 0.41 C ATOM 1914 C LEU B 43 -0.092 -6.215 0.236 1.00 0.41 C ATOM 1915 O LEU B 43 1.026 -5.814 0.566 1.00 0.45 O ATOM 1916 CB LEU B 43 0.118 -8.190 -1.286 1.00 0.46 C ATOM 1917 CG LEU B 43 -0.302 -8.909 -2.569 1.00 0.64 C ATOM 1918 CD1 LEU B 43 0.407 -10.249 -2.686 1.00 1.33 C ATOM 1919 CD2 LEU B 43 -1.812 -9.097 -2.601 1.00 0.85 C ATOM 0 H LEU B 43 1.183 -6.292 -2.516 1.00 0.38 H new ATOM 0 HA LEU B 43 -1.429 -6.699 -1.348 1.00 0.41 H new ATOM 0 HB2 LEU B 43 1.206 -8.207 -1.218 1.00 0.46 H new ATOM 0 HB3 LEU B 43 -0.264 -8.751 -0.433 1.00 0.46 H new ATOM 0 HG LEU B 43 -0.013 -8.294 -3.421 1.00 0.64 H new ATOM 0 HD11 LEU B 43 0.096 -10.746 -3.605 1.00 1.33 H new ATOM 0 HD12 LEU B 43 1.485 -10.090 -2.707 1.00 1.33 H new ATOM 0 HD13 LEU B 43 0.149 -10.873 -1.830 1.00 1.33 H new ATOM 0 HD21 LEU B 43 -2.095 -9.610 -3.520 1.00 0.85 H new ATOM 0 HD22 LEU B 43 -2.123 -9.692 -1.742 1.00 0.85 H new ATOM 0 HD23 LEU B 43 -2.301 -8.123 -2.563 1.00 0.85 H new ATOM 1931 N ILE B 44 -1.137 -6.212 1.046 1.00 0.39 N ATOM 1932 CA ILE B 44 -1.062 -5.748 2.421 1.00 0.43 C ATOM 1933 C ILE B 44 -1.749 -6.750 3.344 1.00 0.45 C ATOM 1934 O ILE B 44 -2.787 -7.309 2.996 1.00 0.47 O ATOM 1935 CB ILE B 44 -1.725 -4.355 2.560 1.00 0.47 C ATOM 1936 CG1 ILE B 44 -0.902 -3.306 1.813 1.00 0.64 C ATOM 1937 CG2 ILE B 44 -1.882 -3.955 4.021 1.00 0.52 C ATOM 1938 CD1 ILE B 44 -1.746 -2.290 1.082 1.00 1.03 C ATOM 0 H ILE B 44 -2.064 -6.532 0.768 1.00 0.39 H new ATOM 0 HA ILE B 44 -0.013 -5.661 2.705 1.00 0.43 H new ATOM 0 HB ILE B 44 -2.721 -4.412 2.121 1.00 0.47 H new ATOM 0 HG12 ILE B 44 -0.257 -2.788 2.523 1.00 0.64 H new ATOM 0 HG13 ILE B 44 -0.250 -3.808 1.098 1.00 0.64 H new ATOM 0 HG21 ILE B 44 -2.350 -2.973 4.081 1.00 0.52 H new ATOM 0 HG22 ILE B 44 -2.507 -4.687 4.533 1.00 0.52 H new ATOM 0 HG23 ILE B 44 -0.901 -3.919 4.496 1.00 0.52 H new ATOM 0 HD11 ILE B 44 -1.098 -1.576 0.574 1.00 1.03 H new ATOM 0 HD12 ILE B 44 -2.372 -2.797 0.348 1.00 1.03 H new ATOM 0 HD13 ILE B 44 -2.379 -1.762 1.795 1.00 1.03 H new ATOM 1950 N PHE B 45 -1.163 -6.974 4.510 1.00 0.48 N ATOM 1951 CA PHE B 45 -1.710 -7.908 5.485 1.00 0.52 C ATOM 1952 C PHE B 45 -1.345 -7.462 6.893 1.00 0.58 C ATOM 1953 O PHE B 45 -0.265 -6.919 7.107 1.00 0.57 O ATOM 1954 CB PHE B 45 -1.176 -9.321 5.228 1.00 0.64 C ATOM 1955 CG PHE B 45 -1.712 -10.349 6.182 1.00 0.72 C ATOM 1956 CD1 PHE B 45 -3.055 -10.685 6.173 1.00 0.92 C ATOM 1957 CD2 PHE B 45 -0.873 -10.975 7.089 1.00 1.19 C ATOM 1958 CE1 PHE B 45 -3.551 -11.626 7.050 1.00 0.99 C ATOM 1959 CE2 PHE B 45 -1.365 -11.919 7.970 1.00 1.31 C ATOM 1960 CZ PHE B 45 -2.707 -12.244 7.950 1.00 0.97 C ATOM 0 H PHE B 45 -0.301 -6.517 4.807 1.00 0.48 H new ATOM 0 HA PHE B 45 -2.795 -7.922 5.385 1.00 0.52 H new ATOM 0 HB2 PHE B 45 -1.428 -9.616 4.210 1.00 0.64 H new ATOM 0 HB3 PHE B 45 -0.088 -9.307 5.295 1.00 0.64 H new ATOM 0 HD1 PHE B 45 -3.721 -10.205 5.472 1.00 0.92 H new ATOM 0 HD2 PHE B 45 0.177 -10.723 7.108 1.00 1.19 H new ATOM 0 HE1 PHE B 45 -4.601 -11.880 7.033 1.00 0.99 H new ATOM 0 HE2 PHE B 45 -0.702 -12.401 8.673 1.00 1.31 H new ATOM 0 HZ PHE B 45 -3.095 -12.981 8.638 1.00 0.97 H new ATOM 1970 N ALA B 46 -2.257 -7.677 7.838 1.00 0.75 N ATOM 1971 CA ALA B 46 -2.042 -7.308 9.239 1.00 0.94 C ATOM 1972 C ALA B 46 -1.732 -5.819 9.402 1.00 0.87 C ATOM 1973 O ALA B 46 -1.113 -5.407 10.386 1.00 0.92 O ATOM 1974 CB ALA B 46 -0.926 -8.154 9.845 1.00 1.07 C ATOM 0 H ALA B 46 -3.163 -8.110 7.658 1.00 0.75 H new ATOM 0 HA ALA B 46 -2.971 -7.505 9.774 1.00 0.94 H new ATOM 0 HB1 ALA B 46 -0.778 -7.868 10.886 1.00 1.07 H new ATOM 0 HB2 ALA B 46 -1.199 -9.208 9.793 1.00 1.07 H new ATOM 0 HB3 ALA B 46 -0.003 -7.991 9.289 1.00 1.07 H new ATOM 1980 N GLY B 47 -2.185 -5.010 8.451 1.00 0.83 N ATOM 1981 CA GLY B 47 -1.943 -3.581 8.519 1.00 0.87 C ATOM 1982 C GLY B 47 -0.585 -3.165 7.979 1.00 0.74 C ATOM 1983 O GLY B 47 -0.214 -1.994 8.071 1.00 0.85 O ATOM 0 H GLY B 47 -2.715 -5.317 7.635 1.00 0.83 H new ATOM 0 HA2 GLY B 47 -2.721 -3.063 7.959 1.00 0.87 H new ATOM 0 HA3 GLY B 47 -2.027 -3.256 9.556 1.00 0.87 H new ATOM 1987 N LYS B 48 0.158 -4.112 7.421 1.00 0.58 N ATOM 1988 CA LYS B 48 1.475 -3.819 6.869 1.00 0.54 C ATOM 1989 C LYS B 48 1.571 -4.316 5.430 1.00 0.51 C ATOM 1990 O LYS B 48 0.870 -5.247 5.040 1.00 0.55 O ATOM 1991 CB LYS B 48 2.578 -4.450 7.734 1.00 0.56 C ATOM 1992 CG LYS B 48 2.450 -5.957 7.913 1.00 1.38 C ATOM 1993 CD LYS B 48 3.416 -6.488 8.964 1.00 1.44 C ATOM 1994 CE LYS B 48 3.114 -5.920 10.344 1.00 2.31 C ATOM 1995 NZ LYS B 48 3.931 -6.568 11.403 1.00 2.94 N ATOM 0 H LYS B 48 -0.128 -5.088 7.339 1.00 0.58 H new ATOM 0 HA LYS B 48 1.617 -2.738 6.871 1.00 0.54 H new ATOM 0 HB2 LYS B 48 3.546 -4.230 7.284 1.00 0.56 H new ATOM 0 HB3 LYS B 48 2.568 -3.977 8.716 1.00 0.56 H new ATOM 0 HG2 LYS B 48 1.428 -6.203 8.202 1.00 1.38 H new ATOM 0 HG3 LYS B 48 2.640 -6.453 6.961 1.00 1.38 H new ATOM 0 HD2 LYS B 48 3.356 -7.576 8.997 1.00 1.44 H new ATOM 0 HD3 LYS B 48 4.437 -6.234 8.681 1.00 1.44 H new ATOM 0 HE2 LYS B 48 3.305 -4.847 10.344 1.00 2.31 H new ATOM 0 HE3 LYS B 48 2.056 -6.055 10.568 1.00 2.31 H new ATOM 0 HZ1 LYS B 48 3.695 -6.153 12.327 1.00 2.94 H new ATOM 0 HZ2 LYS B 48 3.730 -7.588 11.421 1.00 2.94 H new ATOM 0 HZ3 LYS B 48 4.941 -6.417 11.204 1.00 2.94 H new ATOM 2006 N GLN B 49 2.422 -3.682 4.638 1.00 0.54 N ATOM 2007 CA GLN B 49 2.590 -4.072 3.246 1.00 0.54 C ATOM 2008 C GLN B 49 3.581 -5.222 3.146 1.00 0.54 C ATOM 2009 O GLN B 49 4.515 -5.319 3.943 1.00 0.66 O ATOM 2010 CB GLN B 49 3.048 -2.879 2.397 1.00 0.61 C ATOM 2011 CG GLN B 49 2.932 -3.112 0.898 1.00 0.91 C ATOM 2012 CD GLN B 49 2.969 -1.825 0.096 1.00 1.34 C ATOM 2013 OE1 GLN B 49 4.032 -1.363 -0.315 1.00 1.56 O ATOM 2014 NE2 GLN B 49 1.803 -1.244 -0.140 1.00 2.24 N ATOM 0 H GLN B 49 3.005 -2.899 4.933 1.00 0.54 H new ATOM 0 HA GLN B 49 1.628 -4.406 2.857 1.00 0.54 H new ATOM 0 HB2 GLN B 49 2.456 -2.005 2.666 1.00 0.61 H new ATOM 0 HB3 GLN B 49 4.085 -2.649 2.640 1.00 0.61 H new ATOM 0 HG2 GLN B 49 3.745 -3.761 0.572 1.00 0.91 H new ATOM 0 HG3 GLN B 49 2.001 -3.638 0.688 1.00 0.91 H new ATOM 0 HE21 GLN B 49 0.944 -1.660 0.219 1.00 2.24 H new ATOM 0 HE22 GLN B 49 1.764 -0.380 -0.681 1.00 2.24 H new ATOM 2023 N LEU B 50 3.375 -6.085 2.164 1.00 0.60 N ATOM 2024 CA LEU B 50 4.231 -7.244 1.973 1.00 0.66 C ATOM 2025 C LEU B 50 5.336 -6.946 0.965 1.00 0.68 C ATOM 2026 O LEU B 50 5.063 -6.582 -0.185 1.00 0.66 O ATOM 2027 CB LEU B 50 3.401 -8.443 1.498 1.00 0.70 C ATOM 2028 CG LEU B 50 2.053 -8.635 2.202 1.00 1.06 C ATOM 2029 CD1 LEU B 50 1.335 -9.851 1.644 1.00 1.76 C ATOM 2030 CD2 LEU B 50 2.240 -8.776 3.704 1.00 1.23 C ATOM 0 H LEU B 50 2.619 -6.004 1.484 1.00 0.60 H new ATOM 0 HA LEU B 50 4.694 -7.485 2.930 1.00 0.66 H new ATOM 0 HB2 LEU B 50 3.220 -8.336 0.428 1.00 0.70 H new ATOM 0 HB3 LEU B 50 3.993 -9.348 1.632 1.00 0.70 H new ATOM 0 HG LEU B 50 1.443 -7.751 2.016 1.00 1.06 H new ATOM 0 HD11 LEU B 50 0.379 -9.975 2.153 1.00 1.76 H new ATOM 0 HD12 LEU B 50 1.162 -9.713 0.577 1.00 1.76 H new ATOM 0 HD13 LEU B 50 1.947 -10.739 1.801 1.00 1.76 H new ATOM 0 HD21 LEU B 50 1.269 -8.911 4.180 1.00 1.23 H new ATOM 0 HD22 LEU B 50 2.870 -9.641 3.913 1.00 1.23 H new ATOM 0 HD23 LEU B 50 2.715 -7.877 4.097 1.00 1.23 H new ATOM 2042 N GLU B 51 6.580 -7.076 1.411 1.00 0.75 N ATOM 2043 CA GLU B 51 7.740 -6.838 0.564 1.00 0.83 C ATOM 2044 C GLU B 51 7.818 -7.877 -0.552 1.00 0.76 C ATOM 2045 O GLU B 51 7.374 -9.020 -0.393 1.00 0.70 O ATOM 2046 CB GLU B 51 9.017 -6.873 1.415 1.00 1.00 C ATOM 2047 CG GLU B 51 10.279 -6.464 0.670 1.00 1.33 C ATOM 2048 CD GLU B 51 10.166 -5.092 0.041 1.00 1.68 C ATOM 2049 OE1 GLU B 51 10.159 -4.083 0.780 1.00 2.14 O ATOM 2050 OE2 GLU B 51 10.072 -5.016 -1.198 1.00 2.36 O ATOM 0 H GLU B 51 6.811 -7.348 2.366 1.00 0.75 H new ATOM 0 HA GLU B 51 7.642 -5.855 0.104 1.00 0.83 H new ATOM 0 HB2 GLU B 51 8.886 -6.213 2.273 1.00 1.00 H new ATOM 0 HB3 GLU B 51 9.151 -7.882 1.806 1.00 1.00 H new ATOM 0 HG2 GLU B 51 11.123 -6.475 1.360 1.00 1.33 H new ATOM 0 HG3 GLU B 51 10.492 -7.199 -0.106 1.00 1.33 H new ATOM 2057 N ASP B 52 8.399 -7.479 -1.673 1.00 0.84 N ATOM 2058 CA ASP B 52 8.530 -8.357 -2.822 1.00 0.88 C ATOM 2059 C ASP B 52 9.669 -9.344 -2.615 1.00 0.92 C ATOM 2060 O ASP B 52 10.808 -8.949 -2.355 1.00 1.42 O ATOM 2061 CB ASP B 52 8.761 -7.539 -4.097 1.00 1.02 C ATOM 2062 CG ASP B 52 7.491 -6.874 -4.593 1.00 1.11 C ATOM 2063 OD1 ASP B 52 7.168 -5.755 -4.129 1.00 1.32 O ATOM 2064 OD2 ASP B 52 6.803 -7.463 -5.452 1.00 1.52 O ATOM 0 H ASP B 52 8.789 -6.547 -1.810 1.00 0.84 H new ATOM 0 HA ASP B 52 7.602 -8.918 -2.931 1.00 0.88 H new ATOM 0 HB2 ASP B 52 9.516 -6.777 -3.905 1.00 1.02 H new ATOM 0 HB3 ASP B 52 9.156 -8.190 -4.877 1.00 1.02 H new ATOM 2069 N GLY B 53 9.351 -10.629 -2.704 1.00 0.79 N ATOM 2070 CA GLY B 53 10.358 -11.658 -2.535 1.00 0.88 C ATOM 2071 C GLY B 53 10.211 -12.424 -1.237 1.00 0.84 C ATOM 2072 O GLY B 53 10.884 -13.432 -1.025 1.00 0.93 O ATOM 0 H GLY B 53 8.411 -10.978 -2.891 1.00 0.79 H new ATOM 0 HA2 GLY B 53 10.300 -12.356 -3.370 1.00 0.88 H new ATOM 0 HA3 GLY B 53 11.347 -11.200 -2.570 1.00 0.88 H new ATOM 2076 N ARG B 54 9.316 -11.965 -0.372 1.00 0.76 N ATOM 2077 CA ARG B 54 9.102 -12.622 0.911 1.00 0.79 C ATOM 2078 C ARG B 54 8.098 -13.761 0.778 1.00 0.72 C ATOM 2079 O ARG B 54 7.513 -13.964 -0.288 1.00 0.69 O ATOM 2080 CB ARG B 54 8.622 -11.614 1.958 1.00 0.83 C ATOM 2081 CG ARG B 54 9.737 -10.769 2.559 1.00 1.00 C ATOM 2082 CD ARG B 54 10.817 -11.637 3.193 1.00 1.22 C ATOM 2083 NE ARG B 54 11.824 -12.065 2.219 1.00 2.01 N ATOM 2084 CZ ARG B 54 12.242 -13.324 2.069 1.00 2.69 C ATOM 2085 NH1 ARG B 54 11.710 -14.308 2.786 1.00 2.90 N ATOM 2086 NH2 ARG B 54 13.190 -13.600 1.181 1.00 3.65 N ATOM 0 H ARG B 54 8.730 -11.146 -0.533 1.00 0.76 H new ATOM 0 HA ARG B 54 10.054 -13.040 1.238 1.00 0.79 H new ATOM 0 HB2 ARG B 54 7.885 -10.953 1.501 1.00 0.83 H new ATOM 0 HB3 ARG B 54 8.115 -12.151 2.759 1.00 0.83 H new ATOM 0 HG2 ARG B 54 10.180 -10.144 1.783 1.00 1.00 H new ATOM 0 HG3 ARG B 54 9.321 -10.097 3.310 1.00 1.00 H new ATOM 0 HD2 ARG B 54 11.303 -11.082 3.995 1.00 1.22 H new ATOM 0 HD3 ARG B 54 10.356 -12.515 3.646 1.00 1.22 H new ATOM 0 HE ARG B 54 12.234 -11.353 1.614 1.00 2.01 H new ATOM 0 HH11 ARG B 54 10.973 -14.106 3.461 1.00 2.90 H new ATOM 0 HH12 ARG B 54 12.039 -15.265 2.661 1.00 2.90 H new ATOM 0 HH21 ARG B 54 13.595 -12.852 0.618 1.00 3.65 H new ATOM 0 HH22 ARG B 54 13.513 -14.560 1.062 1.00 3.65 H new ATOM 2100 N THR B 55 7.898 -14.501 1.858 1.00 0.72 N ATOM 2101 CA THR B 55 6.962 -15.612 1.854 1.00 0.68 C ATOM 2102 C THR B 55 5.792 -15.325 2.790 1.00 0.66 C ATOM 2103 O THR B 55 5.888 -14.467 3.669 1.00 0.69 O ATOM 2104 CB THR B 55 7.644 -16.934 2.270 1.00 0.75 C ATOM 2105 OG1 THR B 55 8.130 -16.843 3.615 1.00 0.90 O ATOM 2106 CG2 THR B 55 8.799 -17.268 1.340 1.00 0.76 C ATOM 0 H THR B 55 8.372 -14.351 2.748 1.00 0.72 H new ATOM 0 HA THR B 55 6.595 -15.724 0.834 1.00 0.68 H new ATOM 0 HB THR B 55 6.899 -17.727 2.205 1.00 0.75 H new ATOM 0 HG1 THR B 55 8.558 -17.688 3.866 1.00 0.90 H new ATOM 0 HG21 THR B 55 9.261 -18.203 1.656 1.00 0.76 H new ATOM 0 HG22 THR B 55 8.427 -17.373 0.321 1.00 0.76 H new ATOM 0 HG23 THR B 55 9.538 -16.468 1.376 1.00 0.76 H new ATOM 2114 N LEU B 56 4.688 -16.033 2.590 1.00 0.63 N ATOM 2115 CA LEU B 56 3.501 -15.853 3.423 1.00 0.63 C ATOM 2116 C LEU B 56 3.803 -16.136 4.892 1.00 0.70 C ATOM 2117 O LEU B 56 3.273 -15.468 5.782 1.00 0.71 O ATOM 2118 CB LEU B 56 2.365 -16.758 2.940 1.00 0.62 C ATOM 2119 CG LEU B 56 1.541 -16.205 1.773 1.00 0.58 C ATOM 2120 CD1 LEU B 56 2.304 -16.329 0.465 1.00 1.15 C ATOM 2121 CD2 LEU B 56 0.205 -16.921 1.679 1.00 1.26 C ATOM 0 H LEU B 56 4.587 -16.737 1.859 1.00 0.63 H new ATOM 0 HA LEU B 56 3.191 -14.812 3.334 1.00 0.63 H new ATOM 0 HB2 LEU B 56 2.788 -17.718 2.642 1.00 0.62 H new ATOM 0 HB3 LEU B 56 1.695 -16.951 3.778 1.00 0.62 H new ATOM 0 HG LEU B 56 1.355 -15.147 1.959 1.00 0.58 H new ATOM 0 HD11 LEU B 56 1.698 -15.930 -0.349 1.00 1.15 H new ATOM 0 HD12 LEU B 56 3.236 -15.768 0.533 1.00 1.15 H new ATOM 0 HD13 LEU B 56 2.526 -17.378 0.271 1.00 1.15 H new ATOM 0 HD21 LEU B 56 -0.367 -16.515 0.845 1.00 1.26 H new ATOM 0 HD22 LEU B 56 0.373 -17.986 1.520 1.00 1.26 H new ATOM 0 HD23 LEU B 56 -0.351 -16.776 2.605 1.00 1.26 H new ATOM 2133 N SER B 57 4.657 -17.118 5.139 1.00 0.76 N ATOM 2134 CA SER B 57 5.031 -17.488 6.497 1.00 0.85 C ATOM 2135 C SER B 57 5.784 -16.357 7.208 1.00 0.90 C ATOM 2136 O SER B 57 5.743 -16.256 8.433 1.00 0.98 O ATOM 2137 CB SER B 57 5.881 -18.757 6.470 1.00 0.95 C ATOM 2138 OG SER B 57 5.158 -19.842 5.901 1.00 0.98 O ATOM 0 H SER B 57 5.106 -17.676 4.413 1.00 0.76 H new ATOM 0 HA SER B 57 4.116 -17.674 7.060 1.00 0.85 H new ATOM 0 HB2 SER B 57 6.789 -18.579 5.894 1.00 0.95 H new ATOM 0 HB3 SER B 57 6.191 -19.013 7.483 1.00 0.95 H new ATOM 0 HG SER B 57 4.838 -19.590 5.009 1.00 0.98 H new ATOM 2144 N ASP B 58 6.440 -15.492 6.439 1.00 0.87 N ATOM 2145 CA ASP B 58 7.202 -14.384 7.017 1.00 0.93 C ATOM 2146 C ASP B 58 6.279 -13.382 7.690 1.00 0.91 C ATOM 2147 O ASP B 58 6.641 -12.759 8.688 1.00 0.95 O ATOM 2148 CB ASP B 58 8.027 -13.668 5.945 1.00 0.97 C ATOM 2149 CG ASP B 58 9.105 -14.549 5.354 1.00 1.14 C ATOM 2150 OD1 ASP B 58 9.683 -15.368 6.096 1.00 1.16 O ATOM 2151 OD2 ASP B 58 9.371 -14.434 4.138 1.00 1.61 O ATOM 0 H ASP B 58 6.461 -15.534 5.420 1.00 0.87 H new ATOM 0 HA ASP B 58 7.875 -14.807 7.763 1.00 0.93 H new ATOM 0 HB2 ASP B 58 7.364 -13.328 5.149 1.00 0.97 H new ATOM 0 HB3 ASP B 58 8.486 -12.780 6.379 1.00 0.97 H new ATOM 2156 N TYR B 59 5.080 -13.245 7.146 1.00 0.86 N ATOM 2157 CA TYR B 59 4.101 -12.310 7.679 1.00 0.87 C ATOM 2158 C TYR B 59 3.032 -13.039 8.478 1.00 0.88 C ATOM 2159 O TYR B 59 2.127 -12.413 9.026 1.00 0.91 O ATOM 2160 CB TYR B 59 3.462 -11.512 6.544 1.00 0.81 C ATOM 2161 CG TYR B 59 4.442 -10.616 5.826 1.00 0.78 C ATOM 2162 CD1 TYR B 59 4.700 -9.328 6.282 1.00 0.84 C ATOM 2163 CD2 TYR B 59 5.110 -11.057 4.692 1.00 0.78 C ATOM 2164 CE1 TYR B 59 5.599 -8.509 5.629 1.00 0.87 C ATOM 2165 CE2 TYR B 59 6.010 -10.242 4.034 1.00 0.80 C ATOM 2166 CZ TYR B 59 6.250 -8.969 4.506 1.00 0.83 C ATOM 2167 OH TYR B 59 7.150 -8.159 3.856 1.00 0.90 O ATOM 0 H TYR B 59 4.760 -13.771 6.333 1.00 0.86 H new ATOM 0 HA TYR B 59 4.616 -11.622 8.349 1.00 0.87 H new ATOM 0 HB2 TYR B 59 3.018 -12.203 5.827 1.00 0.81 H new ATOM 0 HB3 TYR B 59 2.651 -10.905 6.946 1.00 0.81 H new ATOM 0 HD1 TYR B 59 4.189 -8.963 7.161 1.00 0.84 H new ATOM 0 HD2 TYR B 59 4.923 -12.053 4.318 1.00 0.78 H new ATOM 0 HE1 TYR B 59 5.791 -7.512 5.997 1.00 0.87 H new ATOM 0 HE2 TYR B 59 6.523 -10.600 3.154 1.00 0.80 H new ATOM 0 HH TYR B 59 8.061 -8.407 4.117 1.00 0.90 H new ATOM 2177 N ASN B 60 3.141 -14.366 8.520 1.00 0.89 N ATOM 2178 CA ASN B 60 2.205 -15.217 9.257 1.00 0.92 C ATOM 2179 C ASN B 60 0.831 -15.232 8.593 1.00 0.86 C ATOM 2180 O ASN B 60 -0.203 -15.146 9.257 1.00 0.89 O ATOM 2181 CB ASN B 60 2.090 -14.782 10.723 1.00 1.00 C ATOM 2182 CG ASN B 60 1.388 -15.816 11.588 1.00 1.48 C ATOM 2183 OD1 ASN B 60 1.420 -17.014 11.303 1.00 2.05 O ATOM 2184 ND2 ASN B 60 0.735 -15.358 12.644 1.00 1.91 N ATOM 0 H ASN B 60 3.881 -14.883 8.044 1.00 0.89 H new ATOM 0 HA ASN B 60 2.604 -16.231 9.236 1.00 0.92 H new ATOM 0 HB2 ASN B 60 3.087 -14.597 11.122 1.00 1.00 H new ATOM 0 HB3 ASN B 60 1.545 -13.839 10.776 1.00 1.00 H new ATOM 0 HD21 ASN B 60 0.235 -16.004 13.254 1.00 1.91 H new ATOM 0 HD22 ASN B 60 0.732 -14.359 12.847 1.00 1.91 H new ATOM 2191 N ILE B 61 0.826 -15.327 7.274 1.00 0.80 N ATOM 2192 CA ILE B 61 -0.418 -15.386 6.527 1.00 0.74 C ATOM 2193 C ILE B 61 -0.918 -16.824 6.512 1.00 0.74 C ATOM 2194 O ILE B 61 -0.407 -17.660 5.770 1.00 0.73 O ATOM 2195 CB ILE B 61 -0.249 -14.882 5.079 1.00 0.68 C ATOM 2196 CG1 ILE B 61 0.406 -13.499 5.072 1.00 0.70 C ATOM 2197 CG2 ILE B 61 -1.600 -14.836 4.376 1.00 0.66 C ATOM 2198 CD1 ILE B 61 0.794 -13.012 3.692 1.00 0.65 C ATOM 0 H ILE B 61 1.668 -15.365 6.700 1.00 0.80 H new ATOM 0 HA ILE B 61 -1.139 -14.733 7.018 1.00 0.74 H new ATOM 0 HB ILE B 61 0.398 -15.574 4.540 1.00 0.68 H new ATOM 0 HG12 ILE B 61 -0.280 -12.780 5.521 1.00 0.70 H new ATOM 0 HG13 ILE B 61 1.296 -13.526 5.701 1.00 0.70 H new ATOM 0 HG21 ILE B 61 -1.467 -14.479 3.355 1.00 0.66 H new ATOM 0 HG22 ILE B 61 -2.034 -15.836 4.357 1.00 0.66 H new ATOM 0 HG23 ILE B 61 -2.267 -14.161 4.913 1.00 0.66 H new ATOM 0 HD11 ILE B 61 1.252 -12.026 3.770 1.00 0.65 H new ATOM 0 HD12 ILE B 61 1.505 -13.708 3.247 1.00 0.65 H new ATOM 0 HD13 ILE B 61 -0.095 -12.951 3.064 1.00 0.65 H new ATOM 2210 N GLN B 62 -1.888 -17.110 7.363 1.00 0.80 N ATOM 2211 CA GLN B 62 -2.439 -18.452 7.468 1.00 0.81 C ATOM 2212 C GLN B 62 -3.678 -18.608 6.585 1.00 0.75 C ATOM 2213 O GLN B 62 -3.966 -17.748 5.750 1.00 0.70 O ATOM 2214 CB GLN B 62 -2.764 -18.767 8.932 1.00 0.91 C ATOM 2215 CG GLN B 62 -1.633 -18.403 9.884 1.00 1.02 C ATOM 2216 CD GLN B 62 -1.860 -18.896 11.298 1.00 1.22 C ATOM 2217 OE1 GLN B 62 -2.477 -19.940 11.519 1.00 1.83 O ATOM 2218 NE2 GLN B 62 -1.352 -18.151 12.265 1.00 1.51 N ATOM 0 H GLN B 62 -2.312 -16.429 7.993 1.00 0.80 H new ATOM 0 HA GLN B 62 -1.694 -19.164 7.114 1.00 0.81 H new ATOM 0 HB2 GLN B 62 -3.665 -18.226 9.223 1.00 0.91 H new ATOM 0 HB3 GLN B 62 -2.985 -19.830 9.029 1.00 0.91 H new ATOM 0 HG2 GLN B 62 -0.700 -18.821 9.506 1.00 1.02 H new ATOM 0 HG3 GLN B 62 -1.514 -17.320 9.899 1.00 1.02 H new ATOM 0 HE21 GLN B 62 -0.848 -17.294 12.037 1.00 1.51 H new ATOM 0 HE22 GLN B 62 -1.464 -18.433 13.239 1.00 1.51 H new ATOM 2227 N LYS B 63 -4.398 -19.707 6.756 1.00 0.78 N ATOM 2228 CA LYS B 63 -5.596 -19.970 5.966 1.00 0.77 C ATOM 2229 C LYS B 63 -6.750 -19.044 6.349 1.00 0.77 C ATOM 2230 O LYS B 63 -6.908 -18.680 7.516 1.00 0.82 O ATOM 2231 CB LYS B 63 -6.021 -21.434 6.132 1.00 0.81 C ATOM 2232 CG LYS B 63 -6.247 -21.855 7.581 1.00 0.91 C ATOM 2233 CD LYS B 63 -5.609 -23.204 7.885 1.00 1.12 C ATOM 2234 CE LYS B 63 -4.089 -23.119 7.869 1.00 1.66 C ATOM 2235 NZ LYS B 63 -3.445 -24.417 8.199 1.00 2.28 N ATOM 0 H LYS B 63 -4.174 -20.434 7.436 1.00 0.78 H new ATOM 0 HA LYS B 63 -5.351 -19.775 4.922 1.00 0.77 H new ATOM 0 HB2 LYS B 63 -6.939 -21.601 5.569 1.00 0.81 H new ATOM 0 HB3 LYS B 63 -5.257 -22.075 5.693 1.00 0.81 H new ATOM 0 HG2 LYS B 63 -5.833 -21.099 8.248 1.00 0.91 H new ATOM 0 HG3 LYS B 63 -7.317 -21.906 7.782 1.00 0.91 H new ATOM 0 HD2 LYS B 63 -5.945 -23.555 8.861 1.00 1.12 H new ATOM 0 HD3 LYS B 63 -5.941 -23.938 7.151 1.00 1.12 H new ATOM 0 HE2 LYS B 63 -3.757 -22.792 6.884 1.00 1.66 H new ATOM 0 HE3 LYS B 63 -3.763 -22.363 8.583 1.00 1.66 H new ATOM 0 HZ1 LYS B 63 -2.411 -24.308 8.175 1.00 2.28 H new ATOM 0 HZ2 LYS B 63 -3.739 -24.719 9.150 1.00 2.28 H new ATOM 0 HZ3 LYS B 63 -3.733 -25.134 7.503 1.00 2.28 H new ATOM 2249 N GLU B 64 -7.526 -18.648 5.339 1.00 0.75 N ATOM 2250 CA GLU B 64 -8.695 -17.780 5.512 1.00 0.79 C ATOM 2251 C GLU B 64 -8.289 -16.392 5.999 1.00 0.78 C ATOM 2252 O GLU B 64 -9.033 -15.726 6.721 1.00 0.90 O ATOM 2253 CB GLU B 64 -9.717 -18.406 6.473 1.00 0.88 C ATOM 2254 CG GLU B 64 -10.096 -19.842 6.131 1.00 1.05 C ATOM 2255 CD GLU B 64 -10.350 -20.070 4.650 1.00 1.32 C ATOM 2256 OE1 GLU B 64 -11.131 -19.306 4.044 1.00 2.17 O ATOM 2257 OE2 GLU B 64 -9.783 -21.038 4.095 1.00 1.43 O ATOM 0 H GLU B 64 -7.361 -18.922 4.370 1.00 0.75 H new ATOM 0 HA GLU B 64 -9.166 -17.674 4.535 1.00 0.79 H new ATOM 0 HB2 GLU B 64 -9.312 -18.380 7.484 1.00 0.88 H new ATOM 0 HB3 GLU B 64 -10.619 -17.794 6.475 1.00 0.88 H new ATOM 0 HG2 GLU B 64 -9.298 -20.507 6.461 1.00 1.05 H new ATOM 0 HG3 GLU B 64 -10.991 -20.116 6.690 1.00 1.05 H new ATOM 2264 N SER B 65 -7.108 -15.954 5.594 1.00 0.69 N ATOM 2265 CA SER B 65 -6.615 -14.645 5.981 1.00 0.70 C ATOM 2266 C SER B 65 -7.097 -13.582 5.006 1.00 0.66 C ATOM 2267 O SER B 65 -7.158 -13.815 3.797 1.00 0.63 O ATOM 2268 CB SER B 65 -5.091 -14.650 6.040 1.00 0.68 C ATOM 2269 OG SER B 65 -4.627 -15.571 7.008 1.00 0.74 O ATOM 0 H SER B 65 -6.474 -16.486 4.998 1.00 0.69 H new ATOM 0 HA SER B 65 -7.005 -14.410 6.971 1.00 0.70 H new ATOM 0 HB2 SER B 65 -4.686 -14.909 5.062 1.00 0.68 H new ATOM 0 HB3 SER B 65 -4.729 -13.650 6.280 1.00 0.68 H new ATOM 0 HG SER B 65 -4.033 -16.223 6.581 1.00 0.74 H new ATOM 2275 N THR B 66 -7.456 -12.423 5.537 1.00 0.70 N ATOM 2276 CA THR B 66 -7.928 -11.324 4.715 1.00 0.69 C ATOM 2277 C THR B 66 -6.813 -10.315 4.453 1.00 0.65 C ATOM 2278 O THR B 66 -6.307 -9.672 5.375 1.00 0.68 O ATOM 2279 CB THR B 66 -9.118 -10.616 5.383 1.00 0.79 C ATOM 2280 OG1 THR B 66 -9.980 -11.596 5.975 1.00 0.98 O ATOM 2281 CG2 THR B 66 -9.901 -9.792 4.371 1.00 0.88 C ATOM 0 H THR B 66 -7.429 -12.221 6.536 1.00 0.70 H new ATOM 0 HA THR B 66 -8.252 -11.743 3.762 1.00 0.69 H new ATOM 0 HB THR B 66 -8.736 -9.942 6.150 1.00 0.79 H new ATOM 0 HG1 THR B 66 -10.739 -11.148 6.403 1.00 0.98 H new ATOM 0 HG21 THR B 66 -10.737 -9.302 4.870 1.00 0.88 H new ATOM 0 HG22 THR B 66 -9.248 -9.038 3.932 1.00 0.88 H new ATOM 0 HG23 THR B 66 -10.280 -10.445 3.585 1.00 0.88 H new ATOM 2289 N LEU B 67 -6.428 -10.201 3.194 1.00 0.61 N ATOM 2290 CA LEU B 67 -5.384 -9.282 2.780 1.00 0.59 C ATOM 2291 C LEU B 67 -6.001 -8.105 2.040 1.00 0.58 C ATOM 2292 O LEU B 67 -7.176 -8.140 1.668 1.00 0.61 O ATOM 2293 CB LEU B 67 -4.370 -9.987 1.868 1.00 0.59 C ATOM 2294 CG LEU B 67 -3.676 -11.219 2.463 1.00 0.75 C ATOM 2295 CD1 LEU B 67 -4.474 -12.483 2.179 1.00 1.15 C ATOM 2296 CD2 LEU B 67 -2.265 -11.347 1.912 1.00 1.31 C ATOM 0 H LEU B 67 -6.831 -10.744 2.430 1.00 0.61 H new ATOM 0 HA LEU B 67 -4.864 -8.926 3.669 1.00 0.59 H new ATOM 0 HB2 LEU B 67 -4.881 -10.288 0.954 1.00 0.59 H new ATOM 0 HB3 LEU B 67 -3.605 -9.265 1.582 1.00 0.59 H new ATOM 0 HG LEU B 67 -3.620 -11.090 3.544 1.00 0.75 H new ATOM 0 HD11 LEU B 67 -3.961 -13.342 2.611 1.00 1.15 H new ATOM 0 HD12 LEU B 67 -5.467 -12.393 2.620 1.00 1.15 H new ATOM 0 HD13 LEU B 67 -4.567 -12.620 1.102 1.00 1.15 H new ATOM 0 HD21 LEU B 67 -1.784 -12.225 2.343 1.00 1.31 H new ATOM 0 HD22 LEU B 67 -2.306 -11.451 0.828 1.00 1.31 H new ATOM 0 HD23 LEU B 67 -1.692 -10.457 2.170 1.00 1.31 H new ATOM 2308 N HIS B 68 -5.215 -7.066 1.833 1.00 0.59 N ATOM 2309 CA HIS B 68 -5.680 -5.889 1.121 1.00 0.60 C ATOM 2310 C HIS B 68 -4.860 -5.687 -0.142 1.00 0.56 C ATOM 2311 O HIS B 68 -3.658 -5.943 -0.154 1.00 0.65 O ATOM 2312 CB HIS B 68 -5.604 -4.641 2.007 1.00 0.70 C ATOM 2313 CG HIS B 68 -6.619 -4.618 3.108 1.00 1.14 C ATOM 2314 ND1 HIS B 68 -7.962 -4.858 2.909 1.00 1.91 N ATOM 2315 CD2 HIS B 68 -6.474 -4.379 4.431 1.00 1.76 C ATOM 2316 CE1 HIS B 68 -8.596 -4.768 4.064 1.00 2.20 C ATOM 2317 NE2 HIS B 68 -7.716 -4.479 5.005 1.00 2.10 N ATOM 0 H HIS B 68 -4.247 -7.012 2.149 1.00 0.59 H new ATOM 0 HA HIS B 68 -6.724 -6.046 0.849 1.00 0.60 H new ATOM 0 HB2 HIS B 68 -4.607 -4.577 2.443 1.00 0.70 H new ATOM 0 HB3 HIS B 68 -5.737 -3.756 1.384 1.00 0.70 H new ATOM 0 HD1 HIS B 68 -8.397 -5.071 2.011 1.00 1.91 H new ATOM 0 HD2 HIS B 68 -5.550 -4.151 4.942 1.00 1.76 H new ATOM 0 HE1 HIS B 68 -9.656 -4.907 4.214 1.00 2.20 H new ATOM 2326 N LEU B 69 -5.512 -5.250 -1.206 1.00 0.55 N ATOM 2327 CA LEU B 69 -4.829 -5.020 -2.470 1.00 0.51 C ATOM 2328 C LEU B 69 -4.820 -3.540 -2.817 1.00 0.52 C ATOM 2329 O LEU B 69 -5.826 -2.848 -2.656 1.00 0.70 O ATOM 2330 CB LEU B 69 -5.495 -5.808 -3.598 1.00 0.58 C ATOM 2331 CG LEU B 69 -4.843 -5.649 -4.972 1.00 0.56 C ATOM 2332 CD1 LEU B 69 -3.512 -6.386 -5.023 1.00 0.51 C ATOM 2333 CD2 LEU B 69 -5.774 -6.144 -6.067 1.00 0.71 C ATOM 0 H LEU B 69 -6.512 -5.047 -1.221 1.00 0.55 H new ATOM 0 HA LEU B 69 -3.800 -5.363 -2.359 1.00 0.51 H new ATOM 0 HB2 LEU B 69 -5.493 -6.865 -3.332 1.00 0.58 H new ATOM 0 HB3 LEU B 69 -6.538 -5.499 -3.670 1.00 0.58 H new ATOM 0 HG LEU B 69 -4.652 -4.589 -5.140 1.00 0.56 H new ATOM 0 HD11 LEU B 69 -3.064 -6.261 -6.009 1.00 0.51 H new ATOM 0 HD12 LEU B 69 -2.842 -5.980 -4.266 1.00 0.51 H new ATOM 0 HD13 LEU B 69 -3.676 -7.446 -4.831 1.00 0.51 H new ATOM 0 HD21 LEU B 69 -5.292 -6.022 -7.037 1.00 0.71 H new ATOM 0 HD22 LEU B 69 -6.000 -7.198 -5.904 1.00 0.71 H new ATOM 0 HD23 LEU B 69 -6.699 -5.567 -6.047 1.00 0.71 H new ATOM 2345 N VAL B 70 -3.680 -3.062 -3.278 1.00 0.40 N ATOM 2346 CA VAL B 70 -3.526 -1.672 -3.667 1.00 0.44 C ATOM 2347 C VAL B 70 -2.947 -1.588 -5.074 1.00 0.43 C ATOM 2348 O VAL B 70 -2.039 -2.344 -5.423 1.00 0.49 O ATOM 2349 CB VAL B 70 -2.623 -0.916 -2.666 1.00 0.47 C ATOM 2350 CG1 VAL B 70 -2.069 0.367 -3.270 1.00 1.14 C ATOM 2351 CG2 VAL B 70 -3.400 -0.614 -1.397 1.00 0.77 C ATOM 0 H VAL B 70 -2.837 -3.624 -3.393 1.00 0.40 H new ATOM 0 HA VAL B 70 -4.508 -1.199 -3.658 1.00 0.44 H new ATOM 0 HB VAL B 70 -1.775 -1.556 -2.424 1.00 0.47 H new ATOM 0 HG11 VAL B 70 -1.439 0.872 -2.537 1.00 1.14 H new ATOM 0 HG12 VAL B 70 -1.477 0.127 -4.154 1.00 1.14 H new ATOM 0 HG13 VAL B 70 -2.893 1.022 -3.552 1.00 1.14 H new ATOM 0 HG21 VAL B 70 -2.758 -0.081 -0.695 1.00 0.77 H new ATOM 0 HG22 VAL B 70 -4.265 0.004 -1.638 1.00 0.77 H new ATOM 0 HG23 VAL B 70 -3.735 -1.547 -0.945 1.00 0.77 H new ATOM 2361 N LEU B 71 -3.492 -0.687 -5.880 1.00 0.44 N ATOM 2362 CA LEU B 71 -3.037 -0.505 -7.247 1.00 0.45 C ATOM 2363 C LEU B 71 -1.857 0.456 -7.301 1.00 0.52 C ATOM 2364 O LEU B 71 -1.995 1.659 -7.049 1.00 0.65 O ATOM 2365 CB LEU B 71 -4.175 0.013 -8.125 1.00 0.52 C ATOM 2366 CG LEU B 71 -5.365 -0.940 -8.275 1.00 0.60 C ATOM 2367 CD1 LEU B 71 -6.482 -0.269 -9.053 1.00 0.99 C ATOM 2368 CD2 LEU B 71 -4.941 -2.234 -8.957 1.00 1.04 C ATOM 0 H LEU B 71 -4.255 -0.068 -5.606 1.00 0.44 H new ATOM 0 HA LEU B 71 -2.712 -1.474 -7.627 1.00 0.45 H new ATOM 0 HB2 LEU B 71 -4.534 0.955 -7.710 1.00 0.52 H new ATOM 0 HB3 LEU B 71 -3.778 0.232 -9.116 1.00 0.52 H new ATOM 0 HG LEU B 71 -5.733 -1.188 -7.279 1.00 0.60 H new ATOM 0 HD11 LEU B 71 -7.321 -0.958 -9.152 1.00 0.99 H new ATOM 0 HD12 LEU B 71 -6.808 0.626 -8.523 1.00 0.99 H new ATOM 0 HD13 LEU B 71 -6.121 0.007 -10.044 1.00 0.99 H new ATOM 0 HD21 LEU B 71 -5.803 -2.894 -9.052 1.00 1.04 H new ATOM 0 HD22 LEU B 71 -4.544 -2.010 -9.947 1.00 1.04 H new ATOM 0 HD23 LEU B 71 -4.172 -2.725 -8.360 1.00 1.04 H new ATOM 2380 N ARG B 72 -0.695 -0.084 -7.621 1.00 0.70 N ATOM 2381 CA ARG B 72 0.519 0.704 -7.719 1.00 0.85 C ATOM 2382 C ARG B 72 0.886 0.910 -9.178 1.00 1.12 C ATOM 2383 O ARG B 72 1.230 -0.039 -9.874 1.00 1.44 O ATOM 2384 CB ARG B 72 1.668 0.012 -6.984 1.00 1.05 C ATOM 2385 CG ARG B 72 3.044 0.585 -7.305 1.00 1.32 C ATOM 2386 CD ARG B 72 3.374 1.793 -6.442 1.00 1.27 C ATOM 2387 NE ARG B 72 2.514 2.942 -6.729 1.00 1.61 N ATOM 2388 CZ ARG B 72 2.947 4.063 -7.311 1.00 2.00 C ATOM 2389 NH1 ARG B 72 4.219 4.181 -7.664 1.00 2.37 N ATOM 2390 NH2 ARG B 72 2.112 5.071 -7.533 1.00 2.67 N ATOM 0 H ARG B 72 -0.567 -1.076 -7.819 1.00 0.70 H new ATOM 0 HA ARG B 72 0.343 1.674 -7.254 1.00 0.85 H new ATOM 0 HB2 ARG B 72 1.496 0.087 -5.910 1.00 1.05 H new ATOM 0 HB3 ARG B 72 1.660 -1.049 -7.235 1.00 1.05 H new ATOM 0 HG2 ARG B 72 3.801 -0.185 -7.156 1.00 1.32 H new ATOM 0 HG3 ARG B 72 3.082 0.870 -8.357 1.00 1.32 H new ATOM 0 HD2 ARG B 72 3.273 1.522 -5.391 1.00 1.27 H new ATOM 0 HD3 ARG B 72 4.415 2.075 -6.600 1.00 1.27 H new ATOM 0 HE ARG B 72 1.529 2.883 -6.470 1.00 1.61 H new ATOM 0 HH11 ARG B 72 4.869 3.415 -7.491 1.00 2.37 H new ATOM 0 HH12 ARG B 72 4.547 5.038 -8.108 1.00 2.37 H new ATOM 0 HH21 ARG B 72 1.133 4.992 -7.258 1.00 2.67 H new ATOM 0 HH22 ARG B 72 2.450 5.924 -7.978 1.00 2.67 H new