USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 LYS NZ :NH3+ -170:sc= 1.09 (180deg=-0.101) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.874 K(o=2,f=-11!) USER MOD Set 2.1: A 105 SER OG : rot -34:sc= 0.937 USER MOD Set 2.2: A 108 HIS : no HD1:sc= 0.941 K(o=1.9,f=-4.9!) USER MOD Set 3.1: A 61 ASN : amide:sc= 1.7 K(o=2.7,f=-3.4!) USER MOD Set 3.2: A 84 THR OG1 : rot 25:sc= 0.99 USER MOD Set 4.1: A 15 MET CE :methyl -122:sc= -3.39! (180deg=-3.35!) USER MOD Set 4.2: A 49 SER OG : rot -47:sc= -0.41! USER MOD Set 5.1: A 31 SER OG : rot 160:sc= 0.944 USER MOD Set 5.2: A 32 LYS NZ :NH3+ -168:sc= 0.972 (180deg=-0.423) USER MOD Set 6.1: A 28 SER OG : rot 180:sc= 0.919 USER MOD Set 6.2: A 35 GLN : amide:sc= 1.34 K(o=3,f=0.94) USER MOD Set 6.3: A 70 HIS : no HE2:sc= 0.743 K(o=3,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 83:sc= 1.15 USER MOD Single : A 7 MET CE :methyl -156:sc= -0.125 (180deg=-0.825) USER MOD Single : A 13 CYS SG : rot 150:sc= -0.126 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.099 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 27 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.294 USER MOD Single : A 44 SER OG : rot -107:sc= 1.48 USER MOD Single : A 54 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.1!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0.0458 USER MOD Single : A 65 MET CE :methyl -166:sc= -1.31 (180deg=-2.15!) USER MOD Single : A 68 LYS NZ :NH3+ 135:sc= 1.13 (180deg=0.0279) USER MOD Single : A 69 GLN : amide:sc= 0.0123 X(o=0.012,f=-0.015) USER MOD Single : A 75 SER OG : rot 180:sc= 0.208 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= -0.0239 (180deg=-0.211) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot -41:sc= -0.495 USER MOD Single : A 106 GLN : amide:sc= -3.17! C(o=-3.2!,f=-7!) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.8!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 127 SER OG : rot 2:sc= 0.476 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.517 -12.877 8.892 1.00 11.87 N ATOM 2 CA GLY A 1 -4.772 -11.925 7.786 1.00 11.28 C ATOM 3 C GLY A 1 -5.368 -12.610 6.573 1.00 10.17 C ATOM 4 O GLY A 1 -4.820 -12.524 5.475 1.00 9.93 O ATOM 0 H1 GLY A 1 -4.110 -12.367 9.702 1.00 11.87 H new ATOM 0 H2 GLY A 1 -5.411 -13.324 9.179 1.00 11.87 H new ATOM 0 H3 GLY A 1 -3.851 -13.609 8.573 1.00 11.87 H new ATOM 0 HA2 GLY A 1 -5.449 -11.143 8.130 1.00 11.28 H new ATOM 0 HA3 GLY A 1 -3.838 -11.438 7.505 1.00 11.28 H new ATOM 10 N ILE A 2 -6.482 -13.300 6.770 1.00 9.64 N ATOM 11 CA ILE A 2 -7.151 -13.998 5.684 1.00 8.69 C ATOM 12 C ILE A 2 -8.384 -13.223 5.241 1.00 7.70 C ATOM 13 O ILE A 2 -9.167 -12.759 6.070 1.00 7.79 O ATOM 14 CB ILE A 2 -7.564 -15.427 6.106 1.00 9.07 C ATOM 15 CG1 ILE A 2 -6.339 -16.216 6.580 1.00 9.41 C ATOM 16 CG2 ILE A 2 -8.252 -16.154 4.957 1.00 9.20 C ATOM 17 CD1 ILE A 2 -5.260 -16.361 5.526 1.00 9.86 C ATOM 0 H ILE A 2 -6.942 -13.391 7.676 1.00 9.64 H new ATOM 0 HA ILE A 2 -6.448 -14.072 4.854 1.00 8.69 H new ATOM 0 HB ILE A 2 -8.272 -15.349 6.931 1.00 9.07 H new ATOM 0 HG12 ILE A 2 -5.916 -15.721 7.454 1.00 9.41 H new ATOM 0 HG13 ILE A 2 -6.658 -17.208 6.899 1.00 9.41 H new ATOM 0 HG21 ILE A 2 -8.533 -17.157 5.278 1.00 9.20 H new ATOM 0 HG22 ILE A 2 -9.145 -15.604 4.661 1.00 9.20 H new ATOM 0 HG23 ILE A 2 -7.570 -16.222 4.109 1.00 9.20 H new ATOM 0 HD11 ILE A 2 -4.426 -16.931 5.935 1.00 9.86 H new ATOM 0 HD12 ILE A 2 -5.666 -16.883 4.660 1.00 9.86 H new ATOM 0 HD13 ILE A 2 -4.911 -15.373 5.224 1.00 9.86 H new ATOM 29 N ASP A 3 -8.541 -13.075 3.933 1.00 6.96 N ATOM 30 CA ASP A 3 -9.670 -12.345 3.366 1.00 6.18 C ATOM 31 C ASP A 3 -10.955 -13.161 3.480 1.00 5.44 C ATOM 32 O ASP A 3 -10.968 -14.361 3.212 1.00 5.15 O ATOM 33 CB ASP A 3 -9.403 -11.985 1.899 1.00 6.00 C ATOM 34 CG ASP A 3 -9.256 -13.204 1.010 1.00 6.08 C ATOM 35 OD1 ASP A 3 -8.172 -13.828 1.020 1.00 6.03 O ATOM 36 OD2 ASP A 3 -10.225 -13.553 0.303 1.00 6.51 O ATOM 0 H ASP A 3 -7.896 -13.453 3.239 1.00 6.96 H new ATOM 0 HA ASP A 3 -9.792 -11.423 3.934 1.00 6.18 H new ATOM 0 HB2 ASP A 3 -10.220 -11.367 1.527 1.00 6.00 H new ATOM 0 HB3 ASP A 3 -8.495 -11.385 1.837 1.00 6.00 H new ATOM 41 N PRO A 4 -12.052 -12.517 3.900 1.00 5.55 N ATOM 42 CA PRO A 4 -13.346 -13.168 4.054 1.00 5.42 C ATOM 43 C PRO A 4 -14.226 -13.038 2.810 1.00 4.78 C ATOM 44 O PRO A 4 -15.400 -13.410 2.828 1.00 4.92 O ATOM 45 CB PRO A 4 -13.950 -12.384 5.213 1.00 6.21 C ATOM 46 CG PRO A 4 -13.438 -10.992 5.027 1.00 6.65 C ATOM 47 CD PRO A 4 -12.115 -11.100 4.302 1.00 6.29 C ATOM 0 HA PRO A 4 -13.260 -14.242 4.217 1.00 5.42 H new ATOM 0 HB2 PRO A 4 -15.039 -12.413 5.188 1.00 6.21 H new ATOM 0 HB3 PRO A 4 -13.642 -12.795 6.174 1.00 6.21 H new ATOM 0 HG2 PRO A 4 -14.145 -10.395 4.452 1.00 6.65 H new ATOM 0 HG3 PRO A 4 -13.311 -10.496 5.989 1.00 6.65 H new ATOM 0 HD2 PRO A 4 -12.076 -10.437 3.438 1.00 6.29 H new ATOM 0 HD3 PRO A 4 -11.280 -10.830 4.949 1.00 6.29 H new ATOM 55 N PHE A 5 -13.656 -12.499 1.739 1.00 4.52 N ATOM 56 CA PHE A 5 -14.405 -12.246 0.520 1.00 4.35 C ATOM 57 C PHE A 5 -13.465 -12.213 -0.682 1.00 3.69 C ATOM 58 O PHE A 5 -13.618 -12.987 -1.627 1.00 3.93 O ATOM 59 CB PHE A 5 -15.164 -10.922 0.651 1.00 5.29 C ATOM 60 CG PHE A 5 -15.964 -10.550 -0.563 1.00 6.13 C ATOM 61 CD1 PHE A 5 -17.087 -11.279 -0.908 1.00 6.53 C ATOM 62 CD2 PHE A 5 -15.592 -9.477 -1.353 1.00 6.78 C ATOM 63 CE1 PHE A 5 -17.830 -10.944 -2.023 1.00 7.42 C ATOM 64 CE2 PHE A 5 -16.330 -9.135 -2.471 1.00 7.72 C ATOM 65 CZ PHE A 5 -17.439 -9.854 -2.809 1.00 7.99 C ATOM 0 H PHE A 5 -12.674 -12.229 1.693 1.00 4.52 H new ATOM 0 HA PHE A 5 -15.124 -13.051 0.365 1.00 4.35 H new ATOM 0 HB2 PHE A 5 -15.833 -10.983 1.509 1.00 5.29 H new ATOM 0 HB3 PHE A 5 -14.450 -10.126 0.860 1.00 5.29 H new ATOM 0 HD1 PHE A 5 -17.386 -12.119 -0.299 1.00 6.53 H new ATOM 0 HD2 PHE A 5 -14.716 -8.901 -1.094 1.00 6.78 H new ATOM 0 HE1 PHE A 5 -18.706 -11.519 -2.286 1.00 7.42 H new ATOM 0 HE2 PHE A 5 -16.027 -8.295 -3.079 1.00 7.72 H new ATOM 0 HZ PHE A 5 -18.014 -9.583 -3.682 1.00 7.99 H new ATOM 75 N THR A 6 -12.500 -11.306 -0.642 1.00 3.31 N ATOM 76 CA THR A 6 -11.509 -11.182 -1.696 1.00 3.02 C ATOM 77 C THR A 6 -10.210 -10.630 -1.112 1.00 2.13 C ATOM 78 O THR A 6 -10.243 -9.815 -0.188 1.00 2.37 O ATOM 79 CB THR A 6 -11.999 -10.239 -2.809 1.00 3.65 C ATOM 80 OG1 THR A 6 -13.322 -10.606 -3.223 1.00 4.26 O ATOM 81 CG2 THR A 6 -11.071 -10.288 -4.008 1.00 4.04 C ATOM 0 H THR A 6 -12.384 -10.638 0.120 1.00 3.31 H new ATOM 0 HA THR A 6 -11.342 -12.170 -2.124 1.00 3.02 H new ATOM 0 HB THR A 6 -12.008 -9.225 -2.409 1.00 3.65 H new ATOM 0 HG1 THR A 6 -13.978 -10.213 -2.610 1.00 4.26 H new ATOM 0 HG21 THR A 6 -11.439 -9.613 -4.781 1.00 4.04 H new ATOM 0 HG22 THR A 6 -10.069 -9.982 -3.706 1.00 4.04 H new ATOM 0 HG23 THR A 6 -11.037 -11.304 -4.400 1.00 4.04 H new ATOM 89 N MET A 7 -9.078 -11.078 -1.650 1.00 1.53 N ATOM 90 CA MET A 7 -7.759 -10.668 -1.159 1.00 1.05 C ATOM 91 C MET A 7 -7.412 -9.242 -1.596 1.00 0.83 C ATOM 92 O MET A 7 -6.379 -8.999 -2.219 1.00 1.39 O ATOM 93 CB MET A 7 -6.682 -11.647 -1.649 1.00 1.50 C ATOM 94 CG MET A 7 -6.666 -11.843 -3.162 1.00 2.32 C ATOM 95 SD MET A 7 -5.259 -12.819 -3.730 1.00 3.29 S ATOM 96 CE MET A 7 -3.901 -11.740 -3.278 1.00 3.84 C ATOM 0 H MET A 7 -9.046 -11.731 -2.433 1.00 1.53 H new ATOM 0 HA MET A 7 -7.792 -10.684 -0.070 1.00 1.05 H new ATOM 0 HB2 MET A 7 -5.704 -11.286 -1.329 1.00 1.50 H new ATOM 0 HB3 MET A 7 -6.838 -12.613 -1.169 1.00 1.50 H new ATOM 0 HG2 MET A 7 -7.590 -12.334 -3.469 1.00 2.32 H new ATOM 0 HG3 MET A 7 -6.646 -10.868 -3.649 1.00 2.32 H new ATOM 0 HE1 MET A 7 -3.037 -11.959 -3.906 1.00 3.84 H new ATOM 0 HE2 MET A 7 -4.199 -10.701 -3.421 1.00 3.84 H new ATOM 0 HE3 MET A 7 -3.640 -11.902 -2.232 1.00 3.84 H new ATOM 106 N LEU A 8 -8.274 -8.302 -1.252 1.00 0.80 N ATOM 107 CA LEU A 8 -8.071 -6.910 -1.618 1.00 0.56 C ATOM 108 C LEU A 8 -7.713 -6.082 -0.394 1.00 0.48 C ATOM 109 O LEU A 8 -8.413 -5.137 -0.036 1.00 0.47 O ATOM 110 CB LEU A 8 -9.321 -6.346 -2.299 1.00 0.47 C ATOM 111 CG LEU A 8 -9.722 -7.057 -3.591 1.00 0.56 C ATOM 112 CD1 LEU A 8 -10.909 -6.366 -4.237 1.00 0.61 C ATOM 113 CD2 LEU A 8 -8.548 -7.113 -4.553 1.00 0.72 C ATOM 0 H LEU A 8 -9.125 -8.477 -0.718 1.00 0.80 H new ATOM 0 HA LEU A 8 -7.241 -6.858 -2.323 1.00 0.56 H new ATOM 0 HB2 LEU A 8 -10.154 -6.398 -1.598 1.00 0.47 H new ATOM 0 HB3 LEU A 8 -9.154 -5.291 -2.518 1.00 0.47 H new ATOM 0 HG LEU A 8 -10.015 -8.078 -3.344 1.00 0.56 H new ATOM 0 HD11 LEU A 8 -11.178 -6.888 -5.155 1.00 0.61 H new ATOM 0 HD12 LEU A 8 -11.756 -6.379 -3.550 1.00 0.61 H new ATOM 0 HD13 LEU A 8 -10.647 -5.334 -4.470 1.00 0.61 H new ATOM 0 HD21 LEU A 8 -8.851 -7.623 -5.468 1.00 0.72 H new ATOM 0 HD22 LEU A 8 -8.225 -6.100 -4.792 1.00 0.72 H new ATOM 0 HD23 LEU A 8 -7.724 -7.657 -4.091 1.00 0.72 H new ATOM 125 N ARG A 9 -6.616 -6.446 0.246 1.00 0.52 N ATOM 126 CA ARG A 9 -6.132 -5.720 1.406 1.00 0.51 C ATOM 127 C ARG A 9 -4.677 -5.327 1.187 1.00 0.43 C ATOM 128 O ARG A 9 -3.981 -5.948 0.382 1.00 0.47 O ATOM 129 CB ARG A 9 -6.264 -6.567 2.677 1.00 0.69 C ATOM 130 CG ARG A 9 -5.340 -7.771 2.713 1.00 1.15 C ATOM 131 CD ARG A 9 -5.261 -8.359 4.108 1.00 1.21 C ATOM 132 NE ARG A 9 -4.287 -9.445 4.190 1.00 1.84 N ATOM 133 CZ ARG A 9 -3.161 -9.385 4.904 1.00 2.23 C ATOM 134 NH1 ARG A 9 -2.829 -8.263 5.531 1.00 2.21 N ATOM 135 NH2 ARG A 9 -2.352 -10.435 4.974 1.00 3.09 N ATOM 0 H ARG A 9 -6.041 -7.245 -0.020 1.00 0.52 H new ATOM 0 HA ARG A 9 -6.737 -4.823 1.535 1.00 0.51 H new ATOM 0 HB2 ARG A 9 -6.059 -5.938 3.544 1.00 0.69 H new ATOM 0 HB3 ARG A 9 -7.295 -6.910 2.768 1.00 0.69 H new ATOM 0 HG2 ARG A 9 -5.698 -8.529 2.016 1.00 1.15 H new ATOM 0 HG3 ARG A 9 -4.344 -7.478 2.382 1.00 1.15 H new ATOM 0 HD2 ARG A 9 -4.991 -7.576 4.817 1.00 1.21 H new ATOM 0 HD3 ARG A 9 -6.243 -8.730 4.401 1.00 1.21 H new ATOM 0 HE ARG A 9 -4.479 -10.301 3.670 1.00 1.84 H new ATOM 0 HH11 ARG A 9 -3.435 -7.445 5.468 1.00 2.21 H new ATOM 0 HH12 ARG A 9 -1.968 -8.219 6.076 1.00 2.21 H new ATOM 0 HH21 ARG A 9 -2.589 -11.295 4.480 1.00 3.09 H new ATOM 0 HH22 ARG A 9 -1.493 -10.381 5.522 1.00 3.09 H new ATOM 149 N PRO A 10 -4.201 -4.288 1.886 1.00 0.36 N ATOM 150 CA PRO A 10 -2.804 -3.863 1.802 1.00 0.30 C ATOM 151 C PRO A 10 -1.866 -4.869 2.460 1.00 0.28 C ATOM 152 O PRO A 10 -2.310 -5.844 3.067 1.00 0.38 O ATOM 153 CB PRO A 10 -2.785 -2.535 2.563 1.00 0.29 C ATOM 154 CG PRO A 10 -3.943 -2.610 3.495 1.00 0.47 C ATOM 155 CD PRO A 10 -4.983 -3.447 2.807 1.00 0.40 C ATOM 0 HA PRO A 10 -2.462 -3.776 0.771 1.00 0.30 H new ATOM 0 HB2 PRO A 10 -1.849 -2.404 3.106 1.00 0.29 H new ATOM 0 HB3 PRO A 10 -2.880 -1.689 1.883 1.00 0.29 H new ATOM 0 HG2 PRO A 10 -3.650 -3.057 4.445 1.00 0.47 H new ATOM 0 HG3 PRO A 10 -4.329 -1.615 3.717 1.00 0.47 H new ATOM 0 HD2 PRO A 10 -5.547 -4.050 3.519 1.00 0.40 H new ATOM 0 HD3 PRO A 10 -5.704 -2.829 2.271 1.00 0.40 H new ATOM 163 N ARG A 11 -0.573 -4.627 2.341 1.00 0.29 N ATOM 164 CA ARG A 11 0.425 -5.494 2.949 1.00 0.34 C ATOM 165 C ARG A 11 1.455 -4.660 3.707 1.00 0.27 C ATOM 166 O ARG A 11 1.992 -3.687 3.172 1.00 0.27 O ATOM 167 CB ARG A 11 1.101 -6.346 1.865 1.00 0.49 C ATOM 168 CG ARG A 11 1.565 -5.533 0.664 1.00 0.63 C ATOM 169 CD ARG A 11 2.165 -6.401 -0.433 1.00 1.00 C ATOM 170 NE ARG A 11 1.218 -7.392 -0.944 1.00 1.22 N ATOM 171 CZ ARG A 11 0.722 -7.385 -2.182 1.00 1.59 C ATOM 172 NH1 ARG A 11 0.992 -6.386 -3.019 1.00 1.95 N ATOM 173 NH2 ARG A 11 -0.064 -8.377 -2.583 1.00 2.37 N ATOM 0 H ARG A 11 -0.187 -3.835 1.827 1.00 0.29 H new ATOM 0 HA ARG A 11 -0.062 -6.160 3.661 1.00 0.34 H new ATOM 0 HB2 ARG A 11 1.958 -6.862 2.299 1.00 0.49 H new ATOM 0 HB3 ARG A 11 0.404 -7.114 1.528 1.00 0.49 H new ATOM 0 HG2 ARG A 11 0.721 -4.975 0.260 1.00 0.63 H new ATOM 0 HG3 ARG A 11 2.305 -4.801 0.989 1.00 0.63 H new ATOM 0 HD2 ARG A 11 2.499 -5.765 -1.253 1.00 1.00 H new ATOM 0 HD3 ARG A 11 3.047 -6.912 -0.046 1.00 1.00 H new ATOM 0 HE ARG A 11 0.918 -8.136 -0.313 1.00 1.22 H new ATOM 0 HH11 ARG A 11 1.585 -5.613 -2.716 1.00 1.95 H new ATOM 0 HH12 ARG A 11 0.606 -6.393 -3.963 1.00 1.95 H new ATOM 0 HH21 ARG A 11 -0.287 -9.141 -1.945 1.00 2.37 H new ATOM 0 HH22 ARG A 11 -0.445 -8.375 -3.529 1.00 2.37 H new ATOM 187 N LEU A 12 1.725 -5.038 4.951 1.00 0.29 N ATOM 188 CA LEU A 12 2.663 -4.299 5.787 1.00 0.26 C ATOM 189 C LEU A 12 4.051 -4.908 5.682 1.00 0.25 C ATOM 190 O LEU A 12 4.260 -6.067 6.041 1.00 0.32 O ATOM 191 CB LEU A 12 2.210 -4.314 7.250 1.00 0.34 C ATOM 192 CG LEU A 12 2.210 -2.955 7.967 1.00 0.60 C ATOM 193 CD1 LEU A 12 1.901 -3.136 9.444 1.00 1.32 C ATOM 194 CD2 LEU A 12 3.540 -2.234 7.796 1.00 1.28 C ATOM 0 H LEU A 12 1.308 -5.852 5.403 1.00 0.29 H new ATOM 0 HA LEU A 12 2.692 -3.268 5.436 1.00 0.26 H new ATOM 0 HB2 LEU A 12 1.202 -4.726 7.294 1.00 0.34 H new ATOM 0 HB3 LEU A 12 2.857 -4.995 7.803 1.00 0.34 H new ATOM 0 HG LEU A 12 1.433 -2.341 7.512 1.00 0.60 H new ATOM 0 HD11 LEU A 12 1.905 -2.164 9.938 1.00 1.32 H new ATOM 0 HD12 LEU A 12 0.920 -3.597 9.557 1.00 1.32 H new ATOM 0 HD13 LEU A 12 2.657 -3.777 9.898 1.00 1.32 H new ATOM 0 HD21 LEU A 12 3.504 -1.277 8.316 1.00 1.28 H new ATOM 0 HD22 LEU A 12 4.341 -2.844 8.214 1.00 1.28 H new ATOM 0 HD23 LEU A 12 3.728 -2.064 6.736 1.00 1.28 H new ATOM 206 N CYS A 13 4.994 -4.127 5.195 1.00 0.23 N ATOM 207 CA CYS A 13 6.357 -4.595 5.036 1.00 0.25 C ATOM 208 C CYS A 13 7.269 -3.926 6.059 1.00 0.22 C ATOM 209 O CYS A 13 7.421 -2.709 6.061 1.00 0.24 O ATOM 210 CB CYS A 13 6.840 -4.283 3.620 1.00 0.29 C ATOM 211 SG CYS A 13 5.647 -4.710 2.333 1.00 0.40 S ATOM 0 H CYS A 13 4.841 -3.162 4.901 1.00 0.23 H new ATOM 0 HA CYS A 13 6.386 -5.672 5.199 1.00 0.25 H new ATOM 0 HB2 CYS A 13 7.070 -3.220 3.551 1.00 0.29 H new ATOM 0 HB3 CYS A 13 7.769 -4.823 3.435 1.00 0.29 H new ATOM 0 HG CYS A 13 5.790 -3.903 1.324 1.00 0.40 H new ATOM 217 N THR A 14 7.864 -4.718 6.937 1.00 0.23 N ATOM 218 CA THR A 14 8.825 -4.195 7.892 1.00 0.24 C ATOM 219 C THR A 14 10.205 -4.681 7.491 1.00 0.22 C ATOM 220 O THR A 14 10.466 -5.882 7.482 1.00 0.25 O ATOM 221 CB THR A 14 8.511 -4.667 9.322 1.00 0.31 C ATOM 222 OG1 THR A 14 7.140 -4.374 9.639 1.00 0.35 O ATOM 223 CG2 THR A 14 9.430 -3.990 10.335 1.00 0.35 C ATOM 0 H THR A 14 7.698 -5.722 7.007 1.00 0.23 H new ATOM 0 HA THR A 14 8.777 -3.106 7.884 1.00 0.24 H new ATOM 0 HB THR A 14 8.677 -5.743 9.373 1.00 0.31 H new ATOM 0 HG1 THR A 14 6.943 -4.677 10.550 1.00 0.35 H new ATOM 0 HG21 THR A 14 9.187 -4.341 11.338 1.00 0.35 H new ATOM 0 HG22 THR A 14 10.467 -4.235 10.106 1.00 0.35 H new ATOM 0 HG23 THR A 14 9.293 -2.910 10.286 1.00 0.35 H new ATOM 231 N MET A 15 11.087 -3.759 7.166 1.00 0.20 N ATOM 232 CA MET A 15 12.367 -4.127 6.593 1.00 0.19 C ATOM 233 C MET A 15 13.508 -3.425 7.305 1.00 0.21 C ATOM 234 O MET A 15 13.377 -2.281 7.729 1.00 0.21 O ATOM 235 CB MET A 15 12.383 -3.799 5.097 1.00 0.21 C ATOM 236 CG MET A 15 12.063 -2.345 4.793 1.00 0.24 C ATOM 237 SD MET A 15 12.036 -1.983 3.028 1.00 0.88 S ATOM 238 CE MET A 15 10.519 -2.801 2.543 1.00 0.28 C ATOM 0 H MET A 15 10.944 -2.756 7.287 1.00 0.20 H new ATOM 0 HA MET A 15 12.506 -5.200 6.722 1.00 0.19 H new ATOM 0 HB2 MET A 15 13.365 -4.039 4.691 1.00 0.21 H new ATOM 0 HB3 MET A 15 11.662 -4.436 4.585 1.00 0.21 H new ATOM 0 HG2 MET A 15 11.094 -2.094 5.224 1.00 0.24 H new ATOM 0 HG3 MET A 15 12.802 -1.707 5.278 1.00 0.24 H new ATOM 0 HE1 MET A 15 10.735 -3.541 1.773 1.00 0.28 H new ATOM 0 HE2 MET A 15 10.080 -3.296 3.409 1.00 0.28 H new ATOM 0 HE3 MET A 15 9.817 -2.064 2.152 1.00 0.28 H new ATOM 248 N LYS A 16 14.621 -4.125 7.428 1.00 0.29 N ATOM 249 CA LYS A 16 15.801 -3.617 8.108 1.00 0.37 C ATOM 250 C LYS A 16 16.966 -3.555 7.135 1.00 0.40 C ATOM 251 O LYS A 16 17.066 -4.368 6.220 1.00 0.48 O ATOM 252 CB LYS A 16 16.122 -4.519 9.301 1.00 0.50 C ATOM 253 CG LYS A 16 17.425 -4.192 10.013 1.00 0.90 C ATOM 254 CD LYS A 16 18.148 -5.453 10.458 1.00 1.09 C ATOM 255 CE LYS A 16 17.280 -6.336 11.343 1.00 1.96 C ATOM 256 NZ LYS A 16 16.976 -5.699 12.649 1.00 2.58 N ATOM 0 H LYS A 16 14.733 -5.068 7.057 1.00 0.29 H new ATOM 0 HA LYS A 16 15.616 -2.608 8.477 1.00 0.37 H new ATOM 0 HB2 LYS A 16 15.305 -4.453 10.019 1.00 0.50 H new ATOM 0 HB3 LYS A 16 16.161 -5.553 8.957 1.00 0.50 H new ATOM 0 HG2 LYS A 16 18.070 -3.617 9.348 1.00 0.90 H new ATOM 0 HG3 LYS A 16 17.220 -3.564 10.880 1.00 0.90 H new ATOM 0 HD2 LYS A 16 18.461 -6.018 9.580 1.00 1.09 H new ATOM 0 HD3 LYS A 16 19.053 -5.178 10.999 1.00 1.09 H new ATOM 0 HE2 LYS A 16 16.348 -6.561 10.825 1.00 1.96 H new ATOM 0 HE3 LYS A 16 17.787 -7.286 11.514 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 16.383 -6.337 13.217 1.00 2.58 H new ATOM 0 HZ2 LYS A 16 17.863 -5.507 13.157 1.00 2.58 H new ATOM 0 HZ3 LYS A 16 16.469 -4.805 12.490 1.00 2.58 H new ATOM 270 N LYS A 17 17.810 -2.555 7.325 1.00 0.41 N ATOM 271 CA LYS A 17 18.938 -2.301 6.452 1.00 0.50 C ATOM 272 C LYS A 17 19.852 -3.503 6.334 1.00 0.60 C ATOM 273 O LYS A 17 20.419 -3.978 7.317 1.00 0.67 O ATOM 274 CB LYS A 17 19.720 -1.095 6.945 1.00 0.51 C ATOM 275 CG LYS A 17 19.131 0.224 6.494 1.00 0.52 C ATOM 276 CD LYS A 17 19.876 1.398 7.109 1.00 0.53 C ATOM 277 CE LYS A 17 19.259 2.734 6.730 1.00 0.62 C ATOM 278 NZ LYS A 17 20.056 3.871 7.259 1.00 0.92 N ATOM 0 H LYS A 17 17.729 -1.893 8.096 1.00 0.41 H new ATOM 0 HA LYS A 17 18.541 -2.096 5.458 1.00 0.50 H new ATOM 0 HB2 LYS A 17 19.757 -1.115 8.034 1.00 0.51 H new ATOM 0 HB3 LYS A 17 20.748 -1.167 6.589 1.00 0.51 H new ATOM 0 HG2 LYS A 17 19.174 0.292 5.407 1.00 0.52 H new ATOM 0 HG3 LYS A 17 18.079 0.270 6.775 1.00 0.52 H new ATOM 0 HD2 LYS A 17 19.878 1.296 8.194 1.00 0.53 H new ATOM 0 HD3 LYS A 17 20.916 1.376 6.785 1.00 0.53 H new ATOM 0 HE2 LYS A 17 19.191 2.810 5.645 1.00 0.62 H new ATOM 0 HE3 LYS A 17 18.242 2.789 7.118 1.00 0.62 H new ATOM 0 HZ1 LYS A 17 19.608 4.768 6.983 1.00 0.92 H new ATOM 0 HZ2 LYS A 17 20.100 3.811 8.296 1.00 0.92 H new ATOM 0 HZ3 LYS A 17 21.019 3.831 6.869 1.00 0.92 H new ATOM 292 N GLY A 18 19.979 -3.976 5.113 1.00 0.68 N ATOM 293 CA GLY A 18 20.834 -5.109 4.835 1.00 0.85 C ATOM 294 C GLY A 18 22.042 -4.727 3.999 1.00 1.05 C ATOM 295 O GLY A 18 22.926 -4.017 4.477 1.00 1.28 O ATOM 0 H GLY A 18 19.501 -3.593 4.297 1.00 0.68 H new ATOM 0 HA2 GLY A 18 21.169 -5.548 5.775 1.00 0.85 H new ATOM 0 HA3 GLY A 18 20.261 -5.875 4.312 1.00 0.85 H new ATOM 299 N PRO A 19 22.091 -5.185 2.736 1.00 1.24 N ATOM 300 CA PRO A 19 23.217 -4.924 1.827 1.00 1.57 C ATOM 301 C PRO A 19 23.479 -3.431 1.627 1.00 1.57 C ATOM 302 O PRO A 19 24.440 -2.881 2.165 1.00 2.23 O ATOM 303 CB PRO A 19 22.780 -5.574 0.509 1.00 1.91 C ATOM 304 CG PRO A 19 21.748 -6.575 0.895 1.00 1.86 C ATOM 305 CD PRO A 19 21.053 -6.009 2.100 1.00 1.40 C ATOM 0 HA PRO A 19 24.151 -5.322 2.223 1.00 1.57 H new ATOM 0 HB2 PRO A 19 22.373 -4.834 -0.180 1.00 1.91 H new ATOM 0 HB3 PRO A 19 23.622 -6.049 0.006 1.00 1.91 H new ATOM 0 HG2 PRO A 19 21.043 -6.742 0.081 1.00 1.86 H new ATOM 0 HG3 PRO A 19 22.205 -7.538 1.124 1.00 1.86 H new ATOM 0 HD2 PRO A 19 20.183 -5.414 1.820 1.00 1.40 H new ATOM 0 HD3 PRO A 19 20.700 -6.796 2.767 1.00 1.40 H new ATOM 313 N SER A 20 22.618 -2.777 0.860 1.00 1.40 N ATOM 314 CA SER A 20 22.748 -1.350 0.613 1.00 1.65 C ATOM 315 C SER A 20 21.407 -0.652 0.800 1.00 1.43 C ATOM 316 O SER A 20 20.673 -0.433 -0.164 1.00 1.93 O ATOM 317 CB SER A 20 23.277 -1.100 -0.800 1.00 2.14 C ATOM 318 OG SER A 20 24.533 -1.730 -0.997 1.00 2.87 O ATOM 0 H SER A 20 21.821 -3.214 0.398 1.00 1.40 H new ATOM 0 HA SER A 20 23.458 -0.941 1.332 1.00 1.65 H new ATOM 0 HB2 SER A 20 22.561 -1.475 -1.531 1.00 2.14 H new ATOM 0 HB3 SER A 20 23.374 -0.028 -0.970 1.00 2.14 H new ATOM 0 HG SER A 20 24.847 -1.555 -1.909 1.00 2.87 H new ATOM 324 N GLY A 21 21.090 -0.321 2.047 1.00 1.04 N ATOM 325 CA GLY A 21 19.836 0.343 2.348 1.00 0.94 C ATOM 326 C GLY A 21 18.631 -0.479 1.939 1.00 0.97 C ATOM 327 O GLY A 21 17.939 -0.137 0.980 1.00 1.93 O ATOM 0 H GLY A 21 21.682 -0.502 2.858 1.00 1.04 H new ATOM 0 HA2 GLY A 21 19.785 0.549 3.417 1.00 0.94 H new ATOM 0 HA3 GLY A 21 19.806 1.305 1.836 1.00 0.94 H new ATOM 331 N TYR A 22 18.391 -1.562 2.680 1.00 0.74 N ATOM 332 CA TYR A 22 17.275 -2.478 2.420 1.00 0.70 C ATOM 333 C TYR A 22 17.479 -3.220 1.099 1.00 0.89 C ATOM 334 O TYR A 22 18.058 -4.304 1.084 1.00 1.82 O ATOM 335 CB TYR A 22 15.933 -1.729 2.429 1.00 0.64 C ATOM 336 CG TYR A 22 15.763 -0.836 3.636 1.00 0.50 C ATOM 337 CD1 TYR A 22 15.623 -1.374 4.910 1.00 0.47 C ATOM 338 CD2 TYR A 22 15.724 0.541 3.500 1.00 0.55 C ATOM 339 CE1 TYR A 22 15.446 -0.561 6.011 1.00 0.46 C ATOM 340 CE2 TYR A 22 15.550 1.361 4.596 1.00 0.54 C ATOM 341 CZ TYR A 22 15.486 0.802 5.862 1.00 0.46 C ATOM 342 OH TYR A 22 15.239 1.623 6.942 1.00 0.59 O ATOM 0 H TYR A 22 18.965 -1.831 3.479 1.00 0.74 H new ATOM 0 HA TYR A 22 17.250 -3.216 3.222 1.00 0.70 H new ATOM 0 HB2 TYR A 22 15.853 -1.126 1.524 1.00 0.64 H new ATOM 0 HB3 TYR A 22 15.119 -2.453 2.402 1.00 0.64 H new ATOM 0 HD1 TYR A 22 15.653 -2.446 5.040 1.00 0.47 H new ATOM 0 HD2 TYR A 22 15.832 0.981 2.520 1.00 0.55 H new ATOM 0 HE1 TYR A 22 15.277 -0.996 6.985 1.00 0.46 H new ATOM 0 HE2 TYR A 22 15.464 2.430 4.468 1.00 0.54 H new ATOM 0 HH TYR A 22 15.308 2.560 6.663 1.00 0.59 H new ATOM 352 N GLY A 23 17.037 -2.630 -0.002 1.00 0.43 N ATOM 353 CA GLY A 23 17.189 -3.269 -1.294 1.00 0.42 C ATOM 354 C GLY A 23 15.925 -3.210 -2.126 1.00 0.39 C ATOM 355 O GLY A 23 15.260 -4.223 -2.339 1.00 0.39 O ATOM 0 H GLY A 23 16.576 -1.720 -0.024 1.00 0.43 H new ATOM 0 HA2 GLY A 23 18.001 -2.788 -1.839 1.00 0.42 H new ATOM 0 HA3 GLY A 23 17.475 -4.311 -1.148 1.00 0.42 H new ATOM 359 N PHE A 24 15.587 -2.022 -2.593 1.00 0.37 N ATOM 360 CA PHE A 24 14.446 -1.841 -3.477 1.00 0.36 C ATOM 361 C PHE A 24 14.630 -0.566 -4.277 1.00 0.38 C ATOM 362 O PHE A 24 15.298 0.363 -3.824 1.00 0.40 O ATOM 363 CB PHE A 24 13.126 -1.797 -2.688 1.00 0.34 C ATOM 364 CG PHE A 24 13.027 -0.665 -1.703 1.00 0.32 C ATOM 365 CD1 PHE A 24 13.581 -0.779 -0.439 1.00 0.33 C ATOM 366 CD2 PHE A 24 12.384 0.515 -2.045 1.00 0.34 C ATOM 367 CE1 PHE A 24 13.496 0.257 0.467 1.00 0.35 C ATOM 368 CE2 PHE A 24 12.296 1.557 -1.143 1.00 0.36 C ATOM 369 CZ PHE A 24 12.835 1.427 0.115 1.00 0.36 C ATOM 0 H PHE A 24 16.089 -1.162 -2.374 1.00 0.37 H new ATOM 0 HA PHE A 24 14.391 -2.693 -4.155 1.00 0.36 H new ATOM 0 HB2 PHE A 24 12.298 -1.722 -3.393 1.00 0.34 H new ATOM 0 HB3 PHE A 24 13.005 -2.739 -2.153 1.00 0.34 H new ATOM 0 HD1 PHE A 24 14.086 -1.691 -0.159 1.00 0.33 H new ATOM 0 HD2 PHE A 24 11.947 0.620 -3.027 1.00 0.34 H new ATOM 0 HE1 PHE A 24 13.941 0.159 1.446 1.00 0.35 H new ATOM 0 HE2 PHE A 24 11.803 2.475 -1.426 1.00 0.36 H new ATOM 0 HZ PHE A 24 12.745 2.233 0.828 1.00 0.36 H new ATOM 379 N ASN A 25 14.056 -0.522 -5.464 1.00 0.43 N ATOM 380 CA ASN A 25 14.119 0.679 -6.276 1.00 0.46 C ATOM 381 C ASN A 25 12.803 1.428 -6.163 1.00 0.42 C ATOM 382 O ASN A 25 11.737 0.878 -6.454 1.00 0.39 O ATOM 383 CB ASN A 25 14.408 0.334 -7.744 1.00 0.51 C ATOM 384 CG ASN A 25 15.730 -0.392 -7.934 1.00 1.23 C ATOM 385 OD1 ASN A 25 16.674 -0.208 -7.164 1.00 2.18 O ATOM 386 ND2 ASN A 25 15.808 -1.223 -8.964 1.00 1.65 N ATOM 0 H ASN A 25 13.544 -1.297 -5.885 1.00 0.43 H new ATOM 0 HA ASN A 25 14.932 1.308 -5.913 1.00 0.46 H new ATOM 0 HB2 ASN A 25 13.600 -0.287 -8.132 1.00 0.51 H new ATOM 0 HB3 ASN A 25 14.416 1.251 -8.332 1.00 0.51 H new ATOM 0 HD21 ASN A 25 16.671 -1.736 -9.141 1.00 1.65 H new ATOM 0 HD22 ASN A 25 15.005 -1.349 -9.580 1.00 1.65 H new ATOM 393 N LEU A 26 12.882 2.681 -5.754 1.00 0.50 N ATOM 394 CA LEU A 26 11.698 3.496 -5.539 1.00 0.52 C ATOM 395 C LEU A 26 11.602 4.553 -6.626 1.00 0.55 C ATOM 396 O LEU A 26 12.623 5.036 -7.114 1.00 0.73 O ATOM 397 CB LEU A 26 11.763 4.155 -4.159 1.00 0.69 C ATOM 398 CG LEU A 26 10.482 4.858 -3.703 1.00 0.87 C ATOM 399 CD1 LEU A 26 9.356 3.850 -3.537 1.00 1.52 C ATOM 400 CD2 LEU A 26 10.722 5.613 -2.404 1.00 1.48 C ATOM 0 H LEU A 26 13.761 3.161 -5.562 1.00 0.50 H new ATOM 0 HA LEU A 26 10.811 2.864 -5.582 1.00 0.52 H new ATOM 0 HB2 LEU A 26 12.020 3.393 -3.423 1.00 0.69 H new ATOM 0 HB3 LEU A 26 12.575 4.882 -4.161 1.00 0.69 H new ATOM 0 HG LEU A 26 10.190 5.578 -4.468 1.00 0.87 H new ATOM 0 HD11 LEU A 26 8.452 4.365 -3.212 1.00 1.52 H new ATOM 0 HD12 LEU A 26 9.169 3.353 -4.489 1.00 1.52 H new ATOM 0 HD13 LEU A 26 9.639 3.108 -2.790 1.00 1.52 H new ATOM 0 HD21 LEU A 26 9.801 6.107 -2.095 1.00 1.48 H new ATOM 0 HD22 LEU A 26 11.037 4.914 -1.629 1.00 1.48 H new ATOM 0 HD23 LEU A 26 11.501 6.360 -2.556 1.00 1.48 H new ATOM 412 N HIS A 27 10.386 4.899 -7.024 1.00 0.56 N ATOM 413 CA HIS A 27 10.204 5.876 -8.086 1.00 0.67 C ATOM 414 C HIS A 27 8.868 6.596 -7.957 1.00 0.68 C ATOM 415 O HIS A 27 7.893 6.032 -7.468 1.00 0.95 O ATOM 416 CB HIS A 27 10.313 5.193 -9.457 1.00 1.23 C ATOM 417 CG HIS A 27 9.087 4.457 -9.914 1.00 0.70 C ATOM 418 ND1 HIS A 27 8.150 5.010 -10.762 1.00 0.97 N ATOM 419 CD2 HIS A 27 8.667 3.197 -9.670 1.00 0.81 C ATOM 420 CE1 HIS A 27 7.209 4.120 -11.017 1.00 1.30 C ATOM 421 NE2 HIS A 27 7.501 3.012 -10.366 1.00 1.34 N ATOM 0 H HIS A 27 9.522 4.523 -6.633 1.00 0.56 H new ATOM 0 HA HIS A 27 10.993 6.622 -7.996 1.00 0.67 H new ATOM 0 HB2 HIS A 27 10.559 5.950 -10.202 1.00 1.23 H new ATOM 0 HB3 HIS A 27 11.147 4.491 -9.428 1.00 1.23 H new ATOM 0 HD1 HIS A 27 8.180 5.959 -11.134 1.00 0.97 H new ATOM 0 HD2 HIS A 27 9.159 2.469 -9.042 1.00 0.81 H new ATOM 0 HE1 HIS A 27 6.348 4.274 -11.650 1.00 1.30 H new ATOM 430 N SER A 28 8.837 7.842 -8.397 1.00 0.75 N ATOM 431 CA SER A 28 7.603 8.604 -8.452 1.00 1.14 C ATOM 432 C SER A 28 6.999 8.478 -9.845 1.00 1.03 C ATOM 433 O SER A 28 7.649 7.968 -10.764 1.00 1.34 O ATOM 434 CB SER A 28 7.876 10.076 -8.135 1.00 1.74 C ATOM 435 OG SER A 28 8.623 10.215 -6.938 1.00 2.30 O ATOM 0 H SER A 28 9.659 8.350 -8.723 1.00 0.75 H new ATOM 0 HA SER A 28 6.904 8.213 -7.712 1.00 1.14 H new ATOM 0 HB2 SER A 28 8.420 10.533 -8.961 1.00 1.74 H new ATOM 0 HB3 SER A 28 6.931 10.611 -8.041 1.00 1.74 H new ATOM 0 HG SER A 28 8.783 11.165 -6.761 1.00 2.30 H new ATOM 441 N ASP A 29 5.763 8.917 -10.006 1.00 1.23 N ATOM 442 CA ASP A 29 5.128 8.931 -11.313 1.00 1.54 C ATOM 443 C ASP A 29 4.613 10.330 -11.614 1.00 1.63 C ATOM 444 O ASP A 29 4.208 11.061 -10.709 1.00 1.73 O ATOM 445 CB ASP A 29 3.990 7.911 -11.378 1.00 2.09 C ATOM 446 CG ASP A 29 3.445 7.748 -12.782 1.00 2.87 C ATOM 447 OD1 ASP A 29 4.098 7.067 -13.603 1.00 3.19 O ATOM 448 OD2 ASP A 29 2.370 8.308 -13.079 1.00 3.48 O ATOM 0 H ASP A 29 5.178 9.269 -9.248 1.00 1.23 H new ATOM 0 HA ASP A 29 5.866 8.653 -12.066 1.00 1.54 H new ATOM 0 HB2 ASP A 29 4.347 6.947 -11.015 1.00 2.09 H new ATOM 0 HB3 ASP A 29 3.186 8.224 -10.712 1.00 2.09 H new ATOM 453 N LYS A 30 4.650 10.710 -12.883 1.00 1.90 N ATOM 454 CA LYS A 30 4.302 12.067 -13.282 1.00 2.10 C ATOM 455 C LYS A 30 2.810 12.196 -13.571 1.00 2.35 C ATOM 456 O LYS A 30 2.336 13.257 -13.974 1.00 2.78 O ATOM 457 CB LYS A 30 5.120 12.480 -14.507 1.00 2.29 C ATOM 458 CG LYS A 30 6.623 12.453 -14.269 1.00 2.65 C ATOM 459 CD LYS A 30 7.396 12.877 -15.508 1.00 3.12 C ATOM 460 CE LYS A 30 7.073 14.308 -15.904 1.00 3.99 C ATOM 461 NZ LYS A 30 7.794 14.719 -17.135 1.00 4.54 N ATOM 0 H LYS A 30 4.917 10.098 -13.654 1.00 1.90 H new ATOM 0 HA LYS A 30 4.539 12.734 -12.453 1.00 2.10 H new ATOM 0 HB2 LYS A 30 4.879 11.815 -15.336 1.00 2.29 H new ATOM 0 HB3 LYS A 30 4.826 13.485 -14.809 1.00 2.29 H new ATOM 0 HG2 LYS A 30 6.872 13.116 -13.440 1.00 2.65 H new ATOM 0 HG3 LYS A 30 6.927 11.448 -13.976 1.00 2.65 H new ATOM 0 HD2 LYS A 30 8.466 12.783 -15.321 1.00 3.12 H new ATOM 0 HD3 LYS A 30 7.157 12.207 -16.334 1.00 3.12 H new ATOM 0 HE2 LYS A 30 5.999 14.407 -16.062 1.00 3.99 H new ATOM 0 HE3 LYS A 30 7.338 14.979 -15.087 1.00 3.99 H new ATOM 0 HZ1 LYS A 30 7.546 15.701 -17.371 1.00 4.54 H new ATOM 0 HZ2 LYS A 30 8.819 14.649 -16.976 1.00 4.54 H new ATOM 0 HZ3 LYS A 30 7.522 14.095 -17.921 1.00 4.54 H new ATOM 475 N SER A 31 2.078 11.113 -13.370 1.00 2.29 N ATOM 476 CA SER A 31 0.637 11.125 -13.539 1.00 2.61 C ATOM 477 C SER A 31 -0.042 10.658 -12.256 1.00 2.43 C ATOM 478 O SER A 31 -0.990 11.280 -11.777 1.00 2.50 O ATOM 479 CB SER A 31 0.238 10.233 -14.721 1.00 2.93 C ATOM 480 OG SER A 31 -1.174 10.187 -14.892 1.00 3.49 O ATOM 0 H SER A 31 2.462 10.211 -13.088 1.00 2.29 H new ATOM 0 HA SER A 31 0.310 12.143 -13.752 1.00 2.61 H new ATOM 0 HB2 SER A 31 0.703 10.608 -15.633 1.00 2.93 H new ATOM 0 HB3 SER A 31 0.618 9.224 -14.560 1.00 2.93 H new ATOM 0 HG SER A 31 -1.384 9.895 -15.804 1.00 3.49 H new ATOM 486 N LYS A 32 0.456 9.567 -11.695 1.00 2.27 N ATOM 487 CA LYS A 32 -0.101 9.016 -10.471 1.00 2.14 C ATOM 488 C LYS A 32 0.742 9.441 -9.275 1.00 1.84 C ATOM 489 O LYS A 32 1.959 9.265 -9.274 1.00 1.68 O ATOM 490 CB LYS A 32 -0.164 7.488 -10.552 1.00 2.21 C ATOM 491 CG LYS A 32 -0.808 6.960 -11.825 1.00 2.25 C ATOM 492 CD LYS A 32 -2.206 7.519 -12.026 1.00 2.41 C ATOM 493 CE LYS A 32 -2.793 7.075 -13.357 1.00 2.93 C ATOM 494 NZ LYS A 32 -1.963 7.520 -14.506 1.00 3.00 N ATOM 0 H LYS A 32 1.248 9.045 -12.070 1.00 2.27 H new ATOM 0 HA LYS A 32 -1.113 9.400 -10.346 1.00 2.14 H new ATOM 0 HB2 LYS A 32 0.847 7.089 -10.477 1.00 2.21 H new ATOM 0 HB3 LYS A 32 -0.720 7.112 -9.693 1.00 2.21 H new ATOM 0 HG2 LYS A 32 -0.186 7.220 -12.682 1.00 2.25 H new ATOM 0 HG3 LYS A 32 -0.854 5.872 -11.784 1.00 2.25 H new ATOM 0 HD2 LYS A 32 -2.852 7.189 -11.213 1.00 2.41 H new ATOM 0 HD3 LYS A 32 -2.174 8.608 -11.985 1.00 2.41 H new ATOM 0 HE2 LYS A 32 -2.879 5.989 -13.371 1.00 2.93 H new ATOM 0 HE3 LYS A 32 -3.801 7.476 -13.461 1.00 2.93 H new ATOM 0 HZ1 LYS A 32 -2.491 7.380 -15.391 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 -1.732 8.528 -14.397 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 -1.084 6.964 -14.535 1.00 3.00 H new ATOM 508 N PRO A 33 0.111 10.030 -8.252 1.00 1.87 N ATOM 509 CA PRO A 33 0.811 10.475 -7.044 1.00 1.71 C ATOM 510 C PRO A 33 1.208 9.307 -6.146 1.00 1.40 C ATOM 511 O PRO A 33 0.604 8.231 -6.202 1.00 1.40 O ATOM 512 CB PRO A 33 -0.220 11.362 -6.349 1.00 1.97 C ATOM 513 CG PRO A 33 -1.535 10.815 -6.782 1.00 2.24 C ATOM 514 CD PRO A 33 -1.335 10.310 -8.187 1.00 2.19 C ATOM 0 HA PRO A 33 1.746 10.986 -7.274 1.00 1.71 H new ATOM 0 HB2 PRO A 33 -0.111 11.323 -5.265 1.00 1.97 H new ATOM 0 HB3 PRO A 33 -0.108 12.406 -6.643 1.00 1.97 H new ATOM 0 HG2 PRO A 33 -1.859 10.011 -6.121 1.00 2.24 H new ATOM 0 HG3 PRO A 33 -2.307 11.584 -6.750 1.00 2.24 H new ATOM 0 HD2 PRO A 33 -1.926 9.414 -8.379 1.00 2.19 H new ATOM 0 HD3 PRO A 33 -1.633 11.053 -8.926 1.00 2.19 H new ATOM 522 N GLY A 34 2.215 9.519 -5.320 1.00 1.29 N ATOM 523 CA GLY A 34 2.678 8.478 -4.438 1.00 1.05 C ATOM 524 C GLY A 34 4.001 7.909 -4.895 1.00 0.85 C ATOM 525 O GLY A 34 4.453 8.173 -6.009 1.00 0.88 O ATOM 0 H GLY A 34 2.723 10.400 -5.245 1.00 1.29 H new ATOM 0 HA2 GLY A 34 2.782 8.875 -3.428 1.00 1.05 H new ATOM 0 HA3 GLY A 34 1.935 7.682 -4.393 1.00 1.05 H new ATOM 529 N GLN A 35 4.631 7.142 -4.029 1.00 0.74 N ATOM 530 CA GLN A 35 5.897 6.507 -4.355 1.00 0.59 C ATOM 531 C GLN A 35 5.667 5.062 -4.765 1.00 0.52 C ATOM 532 O GLN A 35 5.016 4.304 -4.045 1.00 0.58 O ATOM 533 CB GLN A 35 6.841 6.582 -3.157 1.00 0.58 C ATOM 534 CG GLN A 35 7.225 8.004 -2.786 1.00 0.82 C ATOM 535 CD GLN A 35 7.951 8.720 -3.905 1.00 0.75 C ATOM 536 OE1 GLN A 35 9.177 8.687 -3.987 1.00 1.50 O ATOM 537 NE2 GLN A 35 7.202 9.372 -4.778 1.00 0.78 N ATOM 0 H GLN A 35 4.288 6.941 -3.090 1.00 0.74 H new ATOM 0 HA GLN A 35 6.355 7.034 -5.192 1.00 0.59 H new ATOM 0 HB2 GLN A 35 6.367 6.105 -2.299 1.00 0.58 H new ATOM 0 HB3 GLN A 35 7.745 6.015 -3.379 1.00 0.58 H new ATOM 0 HG2 GLN A 35 6.326 8.563 -2.524 1.00 0.82 H new ATOM 0 HG3 GLN A 35 7.859 7.986 -1.899 1.00 0.82 H new ATOM 0 HE21 GLN A 35 6.187 9.376 -4.676 1.00 0.78 H new ATOM 0 HE22 GLN A 35 7.639 9.871 -5.553 1.00 0.78 H new ATOM 546 N PHE A 36 6.202 4.680 -5.917 1.00 0.47 N ATOM 547 CA PHE A 36 5.955 3.357 -6.460 1.00 0.43 C ATOM 548 C PHE A 36 7.212 2.509 -6.390 1.00 0.39 C ATOM 549 O PHE A 36 8.318 2.997 -6.632 1.00 0.45 O ATOM 550 CB PHE A 36 5.490 3.444 -7.918 1.00 0.48 C ATOM 551 CG PHE A 36 4.166 4.118 -8.117 1.00 0.58 C ATOM 552 CD1 PHE A 36 4.070 5.500 -8.132 1.00 0.70 C ATOM 553 CD2 PHE A 36 3.019 3.367 -8.308 1.00 0.68 C ATOM 554 CE1 PHE A 36 2.854 6.119 -8.330 1.00 0.83 C ATOM 555 CE2 PHE A 36 1.798 3.981 -8.506 1.00 0.81 C ATOM 556 CZ PHE A 36 1.715 5.358 -8.517 1.00 0.87 C ATOM 0 H PHE A 36 6.808 5.268 -6.490 1.00 0.47 H new ATOM 0 HA PHE A 36 5.171 2.895 -5.861 1.00 0.43 H new ATOM 0 HB2 PHE A 36 6.245 3.980 -8.494 1.00 0.48 H new ATOM 0 HB3 PHE A 36 5.433 2.435 -8.327 1.00 0.48 H new ATOM 0 HD1 PHE A 36 4.957 6.099 -7.987 1.00 0.70 H new ATOM 0 HD2 PHE A 36 3.080 2.289 -8.302 1.00 0.68 H new ATOM 0 HE1 PHE A 36 2.791 7.197 -8.339 1.00 0.83 H new ATOM 0 HE2 PHE A 36 0.910 3.384 -8.652 1.00 0.81 H new ATOM 0 HZ PHE A 36 0.761 5.841 -8.672 1.00 0.87 H new ATOM 566 N ILE A 37 7.038 1.244 -6.062 1.00 0.36 N ATOM 567 CA ILE A 37 8.141 0.301 -6.054 1.00 0.33 C ATOM 568 C ILE A 37 8.390 -0.175 -7.475 1.00 0.33 C ATOM 569 O ILE A 37 7.604 -0.946 -8.022 1.00 0.38 O ATOM 570 CB ILE A 37 7.828 -0.921 -5.161 1.00 0.34 C ATOM 571 CG1 ILE A 37 7.372 -0.469 -3.771 1.00 0.39 C ATOM 572 CG2 ILE A 37 9.042 -1.838 -5.057 1.00 0.33 C ATOM 573 CD1 ILE A 37 8.413 0.326 -3.010 1.00 0.38 C ATOM 0 H ILE A 37 6.139 0.843 -5.796 1.00 0.36 H new ATOM 0 HA ILE A 37 9.022 0.802 -5.653 1.00 0.33 H new ATOM 0 HB ILE A 37 7.016 -1.483 -5.623 1.00 0.34 H new ATOM 0 HG12 ILE A 37 6.471 0.136 -3.874 1.00 0.39 H new ATOM 0 HG13 ILE A 37 7.101 -1.347 -3.185 1.00 0.39 H new ATOM 0 HG21 ILE A 37 8.800 -2.692 -4.424 1.00 0.33 H new ATOM 0 HG22 ILE A 37 9.318 -2.190 -6.051 1.00 0.33 H new ATOM 0 HG23 ILE A 37 9.877 -1.289 -4.622 1.00 0.33 H new ATOM 0 HD11 ILE A 37 8.014 0.609 -2.036 1.00 0.38 H new ATOM 0 HD12 ILE A 37 9.307 -0.282 -2.873 1.00 0.38 H new ATOM 0 HD13 ILE A 37 8.668 1.224 -3.573 1.00 0.38 H new ATOM 585 N ARG A 38 9.463 0.309 -8.088 1.00 0.34 N ATOM 586 CA ARG A 38 9.808 -0.120 -9.433 1.00 0.41 C ATOM 587 C ARG A 38 10.163 -1.595 -9.435 1.00 0.40 C ATOM 588 O ARG A 38 9.583 -2.387 -10.172 1.00 0.49 O ATOM 589 CB ARG A 38 10.972 0.691 -9.994 1.00 0.50 C ATOM 590 CG ARG A 38 11.352 0.258 -11.397 1.00 0.67 C ATOM 591 CD ARG A 38 12.555 1.013 -11.923 1.00 1.24 C ATOM 592 NE ARG A 38 12.998 0.469 -13.201 1.00 1.56 N ATOM 593 CZ ARG A 38 13.924 1.030 -13.976 1.00 2.17 C ATOM 594 NH1 ARG A 38 14.513 2.164 -13.609 1.00 2.83 N ATOM 595 NH2 ARG A 38 14.255 0.456 -15.121 1.00 2.62 N ATOM 0 H ARG A 38 10.102 0.991 -7.679 1.00 0.34 H new ATOM 0 HA ARG A 38 8.939 0.046 -10.070 1.00 0.41 H new ATOM 0 HB2 ARG A 38 10.705 1.748 -10.002 1.00 0.50 H new ATOM 0 HB3 ARG A 38 11.835 0.585 -9.337 1.00 0.50 H new ATOM 0 HG2 ARG A 38 11.566 -0.811 -11.400 1.00 0.67 H new ATOM 0 HG3 ARG A 38 10.506 0.415 -12.066 1.00 0.67 H new ATOM 0 HD2 ARG A 38 12.304 2.067 -12.040 1.00 1.24 H new ATOM 0 HD3 ARG A 38 13.368 0.958 -11.199 1.00 1.24 H new ATOM 0 HE ARG A 38 12.570 -0.399 -13.523 1.00 1.56 H new ATOM 0 HH11 ARG A 38 14.256 2.610 -12.728 1.00 2.83 H new ATOM 0 HH12 ARG A 38 15.222 2.588 -14.208 1.00 2.83 H new ATOM 0 HH21 ARG A 38 13.801 -0.412 -15.406 1.00 2.62 H new ATOM 0 HH22 ARG A 38 14.964 0.881 -15.719 1.00 2.62 H new ATOM 609 N SER A 39 11.120 -1.958 -8.601 1.00 0.36 N ATOM 610 CA SER A 39 11.561 -3.334 -8.490 1.00 0.40 C ATOM 611 C SER A 39 12.229 -3.545 -7.141 1.00 0.32 C ATOM 612 O SER A 39 12.985 -2.690 -6.681 1.00 0.37 O ATOM 613 CB SER A 39 12.544 -3.678 -9.618 1.00 0.54 C ATOM 614 OG SER A 39 11.985 -3.403 -10.893 1.00 1.26 O ATOM 0 H SER A 39 11.611 -1.310 -7.985 1.00 0.36 H new ATOM 0 HA SER A 39 10.694 -3.990 -8.575 1.00 0.40 H new ATOM 0 HB2 SER A 39 13.462 -3.105 -9.490 1.00 0.54 H new ATOM 0 HB3 SER A 39 12.815 -4.732 -9.558 1.00 0.54 H new ATOM 0 HG SER A 39 12.634 -3.630 -11.591 1.00 1.26 H new ATOM 620 N VAL A 40 11.937 -4.661 -6.503 1.00 0.36 N ATOM 621 CA VAL A 40 12.586 -4.995 -5.250 1.00 0.30 C ATOM 622 C VAL A 40 13.792 -5.886 -5.533 1.00 0.31 C ATOM 623 O VAL A 40 13.714 -6.818 -6.337 1.00 0.37 O ATOM 624 CB VAL A 40 11.609 -5.681 -4.261 1.00 0.33 C ATOM 625 CG1 VAL A 40 11.004 -6.943 -4.859 1.00 0.37 C ATOM 626 CG2 VAL A 40 12.304 -5.990 -2.943 1.00 0.32 C ATOM 0 H VAL A 40 11.258 -5.349 -6.829 1.00 0.36 H new ATOM 0 HA VAL A 40 12.919 -4.073 -4.773 1.00 0.30 H new ATOM 0 HB VAL A 40 10.794 -4.984 -4.066 1.00 0.33 H new ATOM 0 HG11 VAL A 40 10.324 -7.398 -4.138 1.00 0.37 H new ATOM 0 HG12 VAL A 40 10.455 -6.689 -5.765 1.00 0.37 H new ATOM 0 HG13 VAL A 40 11.799 -7.648 -5.102 1.00 0.37 H new ATOM 0 HG21 VAL A 40 11.600 -6.471 -2.264 1.00 0.32 H new ATOM 0 HG22 VAL A 40 13.147 -6.657 -3.124 1.00 0.32 H new ATOM 0 HG23 VAL A 40 12.664 -5.064 -2.496 1.00 0.32 H new ATOM 636 N ASP A 41 14.916 -5.562 -4.904 1.00 0.35 N ATOM 637 CA ASP A 41 16.163 -6.277 -5.134 1.00 0.45 C ATOM 638 C ASP A 41 16.010 -7.729 -4.707 1.00 0.48 C ATOM 639 O ASP A 41 15.533 -8.007 -3.609 1.00 0.51 O ATOM 640 CB ASP A 41 17.302 -5.609 -4.364 1.00 0.54 C ATOM 641 CG ASP A 41 18.661 -6.145 -4.751 1.00 1.27 C ATOM 642 OD1 ASP A 41 19.153 -5.808 -5.845 1.00 1.32 O ATOM 643 OD2 ASP A 41 19.231 -6.938 -3.971 1.00 2.28 O ATOM 0 H ASP A 41 14.988 -4.803 -4.226 1.00 0.35 H new ATOM 0 HA ASP A 41 16.402 -6.247 -6.197 1.00 0.45 H new ATOM 0 HB2 ASP A 41 17.275 -4.534 -4.544 1.00 0.54 H new ATOM 0 HB3 ASP A 41 17.148 -5.757 -3.295 1.00 0.54 H new ATOM 648 N PRO A 42 16.372 -8.667 -5.589 1.00 0.58 N ATOM 649 CA PRO A 42 16.208 -10.100 -5.334 1.00 0.69 C ATOM 650 C PRO A 42 16.884 -10.558 -4.051 1.00 0.69 C ATOM 651 O PRO A 42 18.078 -10.330 -3.844 1.00 1.17 O ATOM 652 CB PRO A 42 16.859 -10.762 -6.552 1.00 0.84 C ATOM 653 CG PRO A 42 16.807 -9.726 -7.620 1.00 0.93 C ATOM 654 CD PRO A 42 16.958 -8.407 -6.916 1.00 0.69 C ATOM 0 HA PRO A 42 15.159 -10.362 -5.200 1.00 0.69 H new ATOM 0 HB2 PRO A 42 17.886 -11.060 -6.339 1.00 0.84 H new ATOM 0 HB3 PRO A 42 16.321 -11.663 -6.848 1.00 0.84 H new ATOM 0 HG2 PRO A 42 17.604 -9.874 -8.348 1.00 0.93 H new ATOM 0 HG3 PRO A 42 15.864 -9.773 -8.165 1.00 0.93 H new ATOM 0 HD2 PRO A 42 18.003 -8.106 -6.843 1.00 0.69 H new ATOM 0 HD3 PRO A 42 16.432 -7.608 -7.439 1.00 0.69 H new ATOM 662 N ASP A 43 16.091 -11.196 -3.197 1.00 0.75 N ATOM 663 CA ASP A 43 16.560 -11.741 -1.926 1.00 0.87 C ATOM 664 C ASP A 43 17.058 -10.626 -1.010 1.00 0.70 C ATOM 665 O ASP A 43 18.104 -10.732 -0.374 1.00 0.86 O ATOM 666 CB ASP A 43 17.648 -12.800 -2.153 1.00 1.14 C ATOM 667 CG ASP A 43 17.938 -13.608 -0.907 1.00 1.69 C ATOM 668 OD1 ASP A 43 17.062 -14.394 -0.489 1.00 1.92 O ATOM 669 OD2 ASP A 43 19.043 -13.469 -0.341 1.00 2.40 O ATOM 0 H ASP A 43 15.097 -11.351 -3.368 1.00 0.75 H new ATOM 0 HA ASP A 43 15.719 -12.229 -1.433 1.00 0.87 H new ATOM 0 HB2 ASP A 43 17.336 -13.471 -2.953 1.00 1.14 H new ATOM 0 HB3 ASP A 43 18.563 -12.311 -2.486 1.00 1.14 H new ATOM 674 N SER A 44 16.306 -9.543 -0.959 1.00 0.57 N ATOM 675 CA SER A 44 16.638 -8.433 -0.079 1.00 0.48 C ATOM 676 C SER A 44 15.749 -8.444 1.158 1.00 0.40 C ATOM 677 O SER A 44 14.731 -9.144 1.187 1.00 0.39 O ATOM 678 CB SER A 44 16.466 -7.109 -0.818 1.00 0.47 C ATOM 679 OG SER A 44 15.126 -6.950 -1.252 1.00 0.46 O ATOM 0 H SER A 44 15.462 -9.406 -1.515 1.00 0.57 H new ATOM 0 HA SER A 44 17.677 -8.543 0.232 1.00 0.48 H new ATOM 0 HB2 SER A 44 16.742 -6.282 -0.163 1.00 0.47 H new ATOM 0 HB3 SER A 44 17.138 -7.075 -1.675 1.00 0.47 H new ATOM 0 HG SER A 44 15.081 -7.067 -2.224 1.00 0.46 H new ATOM 685 N PRO A 45 16.115 -7.683 2.202 1.00 0.43 N ATOM 686 CA PRO A 45 15.250 -7.498 3.361 1.00 0.45 C ATOM 687 C PRO A 45 13.886 -6.952 2.949 1.00 0.38 C ATOM 688 O PRO A 45 12.857 -7.300 3.528 1.00 0.39 O ATOM 689 CB PRO A 45 15.994 -6.475 4.222 1.00 0.57 C ATOM 690 CG PRO A 45 17.417 -6.538 3.777 1.00 0.65 C ATOM 691 CD PRO A 45 17.403 -6.985 2.343 1.00 0.52 C ATOM 0 HA PRO A 45 15.057 -8.435 3.884 1.00 0.45 H new ATOM 0 HB2 PRO A 45 15.584 -5.474 4.085 1.00 0.57 H new ATOM 0 HB3 PRO A 45 15.903 -6.714 5.282 1.00 0.57 H new ATOM 0 HG2 PRO A 45 17.896 -5.564 3.874 1.00 0.65 H new ATOM 0 HG3 PRO A 45 17.985 -7.235 4.394 1.00 0.65 H new ATOM 0 HD2 PRO A 45 17.476 -6.139 1.660 1.00 0.52 H new ATOM 0 HD3 PRO A 45 18.242 -7.645 2.122 1.00 0.52 H new ATOM 699 N ALA A 46 13.891 -6.112 1.919 1.00 0.35 N ATOM 700 CA ALA A 46 12.667 -5.538 1.387 1.00 0.33 C ATOM 701 C ALA A 46 11.775 -6.634 0.823 1.00 0.30 C ATOM 702 O ALA A 46 10.578 -6.688 1.106 1.00 0.31 O ATOM 703 CB ALA A 46 12.992 -4.506 0.320 1.00 0.36 C ATOM 0 H ALA A 46 14.738 -5.814 1.435 1.00 0.35 H new ATOM 0 HA ALA A 46 12.130 -5.040 2.194 1.00 0.33 H new ATOM 0 HB1 ALA A 46 12.067 -4.083 -0.071 1.00 0.36 H new ATOM 0 HB2 ALA A 46 13.599 -3.712 0.755 1.00 0.36 H new ATOM 0 HB3 ALA A 46 13.544 -4.982 -0.490 1.00 0.36 H new ATOM 709 N GLU A 47 12.375 -7.525 0.048 1.00 0.31 N ATOM 710 CA GLU A 47 11.654 -8.657 -0.515 1.00 0.33 C ATOM 711 C GLU A 47 11.099 -9.537 0.605 1.00 0.34 C ATOM 712 O GLU A 47 9.948 -9.978 0.557 1.00 0.40 O ATOM 713 CB GLU A 47 12.585 -9.470 -1.417 1.00 0.40 C ATOM 714 CG GLU A 47 11.921 -10.667 -2.072 1.00 0.53 C ATOM 715 CD GLU A 47 12.922 -11.576 -2.750 1.00 1.12 C ATOM 716 OE1 GLU A 47 13.376 -11.247 -3.862 1.00 1.51 O ATOM 717 OE2 GLU A 47 13.265 -12.627 -2.168 1.00 2.01 O ATOM 0 H GLU A 47 13.362 -7.486 -0.206 1.00 0.31 H new ATOM 0 HA GLU A 47 10.820 -8.287 -1.111 1.00 0.33 H new ATOM 0 HB2 GLU A 47 12.982 -8.817 -2.195 1.00 0.40 H new ATOM 0 HB3 GLU A 47 13.434 -9.816 -0.827 1.00 0.40 H new ATOM 0 HG2 GLU A 47 11.371 -11.232 -1.319 1.00 0.53 H new ATOM 0 HG3 GLU A 47 11.193 -10.320 -2.805 1.00 0.53 H new ATOM 724 N ALA A 48 11.919 -9.758 1.628 1.00 0.34 N ATOM 725 CA ALA A 48 11.545 -10.600 2.759 1.00 0.38 C ATOM 726 C ALA A 48 10.441 -9.967 3.606 1.00 0.37 C ATOM 727 O ALA A 48 9.644 -10.673 4.224 1.00 0.47 O ATOM 728 CB ALA A 48 12.764 -10.884 3.617 1.00 0.44 C ATOM 0 H ALA A 48 12.856 -9.361 1.696 1.00 0.34 H new ATOM 0 HA ALA A 48 11.153 -11.535 2.359 1.00 0.38 H new ATOM 0 HB1 ALA A 48 12.477 -11.513 4.460 1.00 0.44 H new ATOM 0 HB2 ALA A 48 13.517 -11.398 3.020 1.00 0.44 H new ATOM 0 HB3 ALA A 48 13.174 -9.945 3.988 1.00 0.44 H new ATOM 734 N SER A 49 10.400 -8.638 3.646 1.00 0.31 N ATOM 735 CA SER A 49 9.392 -7.930 4.421 1.00 0.32 C ATOM 736 C SER A 49 8.015 -8.069 3.769 1.00 0.35 C ATOM 737 O SER A 49 6.985 -7.890 4.422 1.00 0.40 O ATOM 738 CB SER A 49 9.785 -6.455 4.571 1.00 0.32 C ATOM 739 OG SER A 49 9.694 -5.756 3.345 1.00 0.31 O ATOM 0 H SER A 49 11.054 -8.032 3.150 1.00 0.31 H new ATOM 0 HA SER A 49 9.336 -8.374 5.415 1.00 0.32 H new ATOM 0 HB2 SER A 49 9.137 -5.980 5.308 1.00 0.32 H new ATOM 0 HB3 SER A 49 10.804 -6.388 4.952 1.00 0.32 H new ATOM 0 HG SER A 49 10.121 -6.281 2.636 1.00 0.31 H new ATOM 745 N GLY A 50 8.005 -8.406 2.482 1.00 0.36 N ATOM 746 CA GLY A 50 6.754 -8.599 1.775 1.00 0.43 C ATOM 747 C GLY A 50 6.529 -7.569 0.689 1.00 0.43 C ATOM 748 O GLY A 50 5.443 -7.494 0.113 1.00 0.62 O ATOM 0 H GLY A 50 8.842 -8.549 1.917 1.00 0.36 H new ATOM 0 HA2 GLY A 50 6.742 -9.595 1.333 1.00 0.43 H new ATOM 0 HA3 GLY A 50 5.929 -8.556 2.487 1.00 0.43 H new ATOM 752 N LEU A 51 7.557 -6.780 0.398 1.00 0.41 N ATOM 753 CA LEU A 51 7.454 -5.735 -0.611 1.00 0.40 C ATOM 754 C LEU A 51 7.335 -6.342 -2.005 1.00 0.48 C ATOM 755 O LEU A 51 8.164 -7.156 -2.414 1.00 0.65 O ATOM 756 CB LEU A 51 8.671 -4.810 -0.543 1.00 0.38 C ATOM 757 CG LEU A 51 8.565 -3.534 -1.376 1.00 0.35 C ATOM 758 CD1 LEU A 51 7.445 -2.650 -0.855 1.00 0.38 C ATOM 759 CD2 LEU A 51 9.888 -2.789 -1.361 1.00 0.37 C ATOM 0 H LEU A 51 8.471 -6.845 0.847 1.00 0.41 H new ATOM 0 HA LEU A 51 6.555 -5.152 -0.409 1.00 0.40 H new ATOM 0 HB2 LEU A 51 8.839 -4.533 0.498 1.00 0.38 H new ATOM 0 HB3 LEU A 51 9.549 -5.367 -0.870 1.00 0.38 H new ATOM 0 HG LEU A 51 8.332 -3.806 -2.405 1.00 0.35 H new ATOM 0 HD11 LEU A 51 7.384 -1.746 -1.460 1.00 0.38 H new ATOM 0 HD12 LEU A 51 6.499 -3.189 -0.912 1.00 0.38 H new ATOM 0 HD13 LEU A 51 7.647 -2.380 0.182 1.00 0.38 H new ATOM 0 HD21 LEU A 51 9.801 -1.881 -1.958 1.00 0.37 H new ATOM 0 HD22 LEU A 51 10.146 -2.526 -0.335 1.00 0.37 H new ATOM 0 HD23 LEU A 51 10.668 -3.425 -1.779 1.00 0.37 H new ATOM 771 N ARG A 52 6.289 -5.953 -2.715 1.00 0.53 N ATOM 772 CA ARG A 52 6.057 -6.427 -4.071 1.00 0.65 C ATOM 773 C ARG A 52 6.425 -5.339 -5.071 1.00 0.55 C ATOM 774 O ARG A 52 6.317 -4.147 -4.776 1.00 0.61 O ATOM 775 CB ARG A 52 4.587 -6.837 -4.242 1.00 0.86 C ATOM 776 CG ARG A 52 4.210 -7.224 -5.667 1.00 1.23 C ATOM 777 CD ARG A 52 2.739 -7.600 -5.784 1.00 2.05 C ATOM 778 NE ARG A 52 2.437 -8.871 -5.121 1.00 2.59 N ATOM 779 CZ ARG A 52 1.343 -9.595 -5.355 1.00 3.57 C ATOM 780 NH1 ARG A 52 0.384 -9.136 -6.155 1.00 4.13 N ATOM 781 NH2 ARG A 52 1.195 -10.768 -4.754 1.00 4.38 N ATOM 0 H ARG A 52 5.581 -5.304 -2.372 1.00 0.53 H new ATOM 0 HA ARG A 52 6.684 -7.299 -4.256 1.00 0.65 H new ATOM 0 HB2 ARG A 52 4.376 -7.678 -3.581 1.00 0.86 H new ATOM 0 HB3 ARG A 52 3.951 -6.012 -3.921 1.00 0.86 H new ATOM 0 HG2 ARG A 52 4.427 -6.393 -6.338 1.00 1.23 H new ATOM 0 HG3 ARG A 52 4.826 -8.063 -5.990 1.00 1.23 H new ATOM 0 HD2 ARG A 52 2.128 -6.810 -5.347 1.00 2.05 H new ATOM 0 HD3 ARG A 52 2.466 -7.668 -6.837 1.00 2.05 H new ATOM 0 HE ARG A 52 3.106 -9.224 -4.437 1.00 2.59 H new ATOM 0 HH11 ARG A 52 0.482 -8.222 -6.596 1.00 4.13 H new ATOM 0 HH12 ARG A 52 -0.449 -9.699 -6.327 1.00 4.13 H new ATOM 0 HH21 ARG A 52 1.916 -11.110 -4.118 1.00 4.38 H new ATOM 0 HH22 ARG A 52 0.361 -11.328 -4.928 1.00 4.38 H new ATOM 795 N ALA A 53 6.899 -5.752 -6.238 1.00 0.53 N ATOM 796 CA ALA A 53 7.186 -4.817 -7.313 1.00 0.54 C ATOM 797 C ALA A 53 5.888 -4.342 -7.954 1.00 0.61 C ATOM 798 O ALA A 53 4.940 -5.115 -8.068 1.00 1.44 O ATOM 799 CB ALA A 53 8.095 -5.456 -8.352 1.00 0.68 C ATOM 0 H ALA A 53 7.092 -6.728 -6.463 1.00 0.53 H new ATOM 0 HA ALA A 53 7.705 -3.954 -6.895 1.00 0.54 H new ATOM 0 HB1 ALA A 53 8.298 -4.740 -9.148 1.00 0.68 H new ATOM 0 HB2 ALA A 53 9.033 -5.751 -7.882 1.00 0.68 H new ATOM 0 HB3 ALA A 53 7.606 -6.336 -8.771 1.00 0.68 H new ATOM 805 N GLN A 54 5.870 -3.069 -8.361 1.00 0.65 N ATOM 806 CA GLN A 54 4.692 -2.416 -8.954 1.00 0.74 C ATOM 807 C GLN A 54 3.686 -2.002 -7.879 1.00 0.59 C ATOM 808 O GLN A 54 2.598 -1.516 -8.193 1.00 0.67 O ATOM 809 CB GLN A 54 4.008 -3.294 -10.014 1.00 0.99 C ATOM 810 CG GLN A 54 4.884 -3.621 -11.219 1.00 1.46 C ATOM 811 CD GLN A 54 5.209 -2.408 -12.076 1.00 2.34 C ATOM 812 OE1 GLN A 54 5.323 -1.282 -11.587 1.00 2.99 O ATOM 813 NE2 GLN A 54 5.349 -2.626 -13.377 1.00 3.06 N ATOM 0 H GLN A 54 6.680 -2.454 -8.288 1.00 0.65 H new ATOM 0 HA GLN A 54 5.056 -1.519 -9.455 1.00 0.74 H new ATOM 0 HB2 GLN A 54 3.691 -4.226 -9.547 1.00 0.99 H new ATOM 0 HB3 GLN A 54 3.107 -2.788 -10.361 1.00 0.99 H new ATOM 0 HG2 GLN A 54 5.814 -4.071 -10.871 1.00 1.46 H new ATOM 0 HG3 GLN A 54 4.380 -4.366 -11.834 1.00 1.46 H new ATOM 0 HE21 GLN A 54 5.248 -3.570 -13.750 1.00 3.06 H new ATOM 0 HE22 GLN A 54 5.557 -1.849 -14.005 1.00 3.06 H new ATOM 822 N ASP A 55 4.067 -2.173 -6.620 1.00 0.47 N ATOM 823 CA ASP A 55 3.242 -1.752 -5.498 1.00 0.45 C ATOM 824 C ASP A 55 3.497 -0.282 -5.197 1.00 0.39 C ATOM 825 O ASP A 55 4.595 0.225 -5.437 1.00 0.48 O ATOM 826 CB ASP A 55 3.561 -2.597 -4.258 1.00 0.50 C ATOM 827 CG ASP A 55 2.637 -3.790 -4.078 1.00 0.67 C ATOM 828 OD1 ASP A 55 2.348 -4.478 -5.085 1.00 1.02 O ATOM 829 OD2 ASP A 55 2.172 -4.031 -2.948 1.00 1.01 O ATOM 0 H ASP A 55 4.951 -2.605 -6.350 1.00 0.47 H new ATOM 0 HA ASP A 55 2.193 -1.892 -5.759 1.00 0.45 H new ATOM 0 HB2 ASP A 55 4.589 -2.952 -4.326 1.00 0.50 H new ATOM 0 HB3 ASP A 55 3.500 -1.964 -3.372 1.00 0.50 H new ATOM 834 N ARG A 56 2.492 0.411 -4.689 1.00 0.38 N ATOM 835 CA ARG A 56 2.666 1.808 -4.314 1.00 0.42 C ATOM 836 C ARG A 56 2.581 1.962 -2.806 1.00 0.39 C ATOM 837 O ARG A 56 1.720 1.365 -2.158 1.00 0.39 O ATOM 838 CB ARG A 56 1.618 2.702 -4.970 1.00 0.56 C ATOM 839 CG ARG A 56 1.911 4.189 -4.790 1.00 0.78 C ATOM 840 CD ARG A 56 0.698 5.046 -5.089 1.00 0.79 C ATOM 841 NE ARG A 56 -0.367 4.822 -4.117 1.00 0.89 N ATOM 842 CZ ARG A 56 -1.585 4.396 -4.438 1.00 0.91 C ATOM 843 NH1 ARG A 56 -1.925 4.243 -5.711 1.00 1.51 N ATOM 844 NH2 ARG A 56 -2.476 4.146 -3.489 1.00 1.57 N ATOM 0 H ARG A 56 1.557 0.037 -4.527 1.00 0.38 H new ATOM 0 HA ARG A 56 3.651 2.118 -4.663 1.00 0.42 H new ATOM 0 HB2 ARG A 56 1.567 2.473 -6.034 1.00 0.56 H new ATOM 0 HB3 ARG A 56 0.639 2.476 -4.548 1.00 0.56 H new ATOM 0 HG2 ARG A 56 2.241 4.372 -3.768 1.00 0.78 H new ATOM 0 HG3 ARG A 56 2.731 4.479 -5.447 1.00 0.78 H new ATOM 0 HD2 ARG A 56 0.984 6.098 -5.082 1.00 0.79 H new ATOM 0 HD3 ARG A 56 0.331 4.822 -6.091 1.00 0.79 H new ATOM 0 HE ARG A 56 -0.165 5.003 -3.134 1.00 0.89 H new ATOM 0 HH11 ARG A 56 -1.251 4.452 -6.448 1.00 1.51 H new ATOM 0 HH12 ARG A 56 -2.860 3.916 -5.953 1.00 1.51 H new ATOM 0 HH21 ARG A 56 -2.228 4.280 -2.509 1.00 1.57 H new ATOM 0 HH22 ARG A 56 -3.409 3.819 -3.739 1.00 1.57 H new ATOM 858 N ILE A 57 3.473 2.771 -2.254 1.00 0.40 N ATOM 859 CA ILE A 57 3.499 3.026 -0.823 1.00 0.38 C ATOM 860 C ILE A 57 2.360 3.947 -0.423 1.00 0.38 C ATOM 861 O ILE A 57 2.158 5.004 -1.025 1.00 0.49 O ATOM 862 CB ILE A 57 4.844 3.653 -0.395 1.00 0.46 C ATOM 863 CG1 ILE A 57 6.010 2.742 -0.792 1.00 0.53 C ATOM 864 CG2 ILE A 57 4.859 3.915 1.103 1.00 0.45 C ATOM 865 CD1 ILE A 57 7.370 3.314 -0.456 1.00 0.68 C ATOM 0 H ILE A 57 4.193 3.265 -2.781 1.00 0.40 H new ATOM 0 HA ILE A 57 3.381 2.069 -0.315 1.00 0.38 H new ATOM 0 HB ILE A 57 4.959 4.606 -0.911 1.00 0.46 H new ATOM 0 HG12 ILE A 57 5.896 1.781 -0.291 1.00 0.53 H new ATOM 0 HG13 ILE A 57 5.961 2.550 -1.864 1.00 0.53 H new ATOM 0 HG21 ILE A 57 5.815 4.357 1.386 1.00 0.45 H new ATOM 0 HG22 ILE A 57 4.052 4.601 1.361 1.00 0.45 H new ATOM 0 HG23 ILE A 57 4.721 2.975 1.638 1.00 0.45 H new ATOM 0 HD11 ILE A 57 8.146 2.614 -0.766 1.00 0.68 H new ATOM 0 HD12 ILE A 57 7.506 4.261 -0.979 1.00 0.68 H new ATOM 0 HD13 ILE A 57 7.439 3.480 0.619 1.00 0.68 H new ATOM 877 N VAL A 58 1.604 3.523 0.574 1.00 0.29 N ATOM 878 CA VAL A 58 0.503 4.312 1.086 1.00 0.32 C ATOM 879 C VAL A 58 0.786 4.800 2.506 1.00 0.30 C ATOM 880 O VAL A 58 0.358 5.888 2.885 1.00 0.37 O ATOM 881 CB VAL A 58 -0.827 3.531 1.047 1.00 0.37 C ATOM 882 CG1 VAL A 58 -1.271 3.295 -0.387 1.00 0.87 C ATOM 883 CG2 VAL A 58 -0.711 2.210 1.788 1.00 0.62 C ATOM 0 H VAL A 58 1.736 2.629 1.047 1.00 0.29 H new ATOM 0 HA VAL A 58 0.404 5.179 0.433 1.00 0.32 H new ATOM 0 HB VAL A 58 -1.581 4.136 1.550 1.00 0.37 H new ATOM 0 HG11 VAL A 58 -2.211 2.743 -0.391 1.00 0.87 H new ATOM 0 HG12 VAL A 58 -1.411 4.253 -0.887 1.00 0.87 H new ATOM 0 HG13 VAL A 58 -0.510 2.719 -0.914 1.00 0.87 H new ATOM 0 HG21 VAL A 58 -1.664 1.683 1.743 1.00 0.62 H new ATOM 0 HG22 VAL A 58 0.064 1.600 1.324 1.00 0.62 H new ATOM 0 HG23 VAL A 58 -0.450 2.399 2.829 1.00 0.62 H new ATOM 893 N GLU A 59 1.510 4.002 3.288 1.00 0.24 N ATOM 894 CA GLU A 59 1.927 4.421 4.625 1.00 0.25 C ATOM 895 C GLU A 59 3.398 4.096 4.861 1.00 0.22 C ATOM 896 O GLU A 59 3.898 3.066 4.407 1.00 0.23 O ATOM 897 CB GLU A 59 1.085 3.754 5.724 1.00 0.29 C ATOM 898 CG GLU A 59 -0.388 4.135 5.717 1.00 0.40 C ATOM 899 CD GLU A 59 -1.066 3.853 7.046 1.00 0.44 C ATOM 900 OE1 GLU A 59 -1.449 2.691 7.303 1.00 0.43 O ATOM 901 OE2 GLU A 59 -1.208 4.796 7.849 1.00 0.89 O ATOM 0 H GLU A 59 1.819 3.067 3.021 1.00 0.24 H new ATOM 0 HA GLU A 59 1.775 5.499 4.677 1.00 0.25 H new ATOM 0 HB2 GLU A 59 1.167 2.672 5.619 1.00 0.29 H new ATOM 0 HB3 GLU A 59 1.508 4.013 6.694 1.00 0.29 H new ATOM 0 HG2 GLU A 59 -0.485 5.195 5.480 1.00 0.40 H new ATOM 0 HG3 GLU A 59 -0.899 3.584 4.928 1.00 0.40 H new ATOM 908 N VAL A 60 4.084 4.988 5.566 1.00 0.22 N ATOM 909 CA VAL A 60 5.467 4.765 5.968 1.00 0.21 C ATOM 910 C VAL A 60 5.594 4.906 7.478 1.00 0.22 C ATOM 911 O VAL A 60 5.275 5.954 8.037 1.00 0.27 O ATOM 912 CB VAL A 60 6.446 5.750 5.292 1.00 0.23 C ATOM 913 CG1 VAL A 60 7.869 5.515 5.780 1.00 0.54 C ATOM 914 CG2 VAL A 60 6.381 5.629 3.780 1.00 0.66 C ATOM 0 H VAL A 60 3.700 5.881 5.874 1.00 0.22 H new ATOM 0 HA VAL A 60 5.731 3.757 5.650 1.00 0.21 H new ATOM 0 HB VAL A 60 6.147 6.761 5.568 1.00 0.23 H new ATOM 0 HG11 VAL A 60 8.542 6.219 5.291 1.00 0.54 H new ATOM 0 HG12 VAL A 60 7.912 5.661 6.859 1.00 0.54 H new ATOM 0 HG13 VAL A 60 8.173 4.496 5.539 1.00 0.54 H new ATOM 0 HG21 VAL A 60 7.080 6.333 3.328 1.00 0.66 H new ATOM 0 HG22 VAL A 60 6.647 4.614 3.484 1.00 0.66 H new ATOM 0 HG23 VAL A 60 5.370 5.853 3.440 1.00 0.66 H new ATOM 924 N ASN A 61 6.034 3.833 8.129 1.00 0.25 N ATOM 925 CA ASN A 61 6.225 3.801 9.582 1.00 0.30 C ATOM 926 C ASN A 61 4.925 4.107 10.325 1.00 0.36 C ATOM 927 O ASN A 61 4.942 4.550 11.472 1.00 0.47 O ATOM 928 CB ASN A 61 7.317 4.786 10.026 1.00 0.39 C ATOM 929 CG ASN A 61 8.668 4.513 9.383 1.00 0.53 C ATOM 930 OD1 ASN A 61 8.993 3.376 9.028 1.00 1.17 O ATOM 931 ND2 ASN A 61 9.471 5.558 9.247 1.00 0.61 N ATOM 0 H ASN A 61 6.270 2.956 7.665 1.00 0.25 H new ATOM 0 HA ASN A 61 6.542 2.789 9.835 1.00 0.30 H new ATOM 0 HB2 ASN A 61 7.004 5.801 9.781 1.00 0.39 H new ATOM 0 HB3 ASN A 61 7.421 4.738 11.110 1.00 0.39 H new ATOM 0 HD21 ASN A 61 10.397 5.440 8.836 1.00 0.61 H new ATOM 0 HD22 ASN A 61 9.163 6.481 9.554 1.00 0.61 H new ATOM 938 N GLY A 62 3.802 3.853 9.668 1.00 0.37 N ATOM 939 CA GLY A 62 2.510 4.103 10.277 1.00 0.50 C ATOM 940 C GLY A 62 1.963 5.481 9.957 1.00 0.51 C ATOM 941 O GLY A 62 0.937 5.890 10.504 1.00 0.66 O ATOM 0 H GLY A 62 3.762 3.477 8.721 1.00 0.37 H new ATOM 0 HA2 GLY A 62 1.801 3.348 9.936 1.00 0.50 H new ATOM 0 HA3 GLY A 62 2.596 3.994 11.358 1.00 0.50 H new ATOM 945 N VAL A 63 2.644 6.204 9.082 1.00 0.42 N ATOM 946 CA VAL A 63 2.179 7.515 8.650 1.00 0.50 C ATOM 947 C VAL A 63 1.730 7.466 7.198 1.00 0.43 C ATOM 948 O VAL A 63 2.489 7.062 6.318 1.00 0.39 O ATOM 949 CB VAL A 63 3.278 8.589 8.805 1.00 0.61 C ATOM 950 CG1 VAL A 63 2.746 9.962 8.426 1.00 0.98 C ATOM 951 CG2 VAL A 63 3.831 8.596 10.224 1.00 1.17 C ATOM 0 H VAL A 63 3.522 5.906 8.656 1.00 0.42 H new ATOM 0 HA VAL A 63 1.338 7.786 9.288 1.00 0.50 H new ATOM 0 HB VAL A 63 4.093 8.341 8.125 1.00 0.61 H new ATOM 0 HG11 VAL A 63 3.536 10.703 8.543 1.00 0.98 H new ATOM 0 HG12 VAL A 63 2.411 9.949 7.389 1.00 0.98 H new ATOM 0 HG13 VAL A 63 1.909 10.220 9.075 1.00 0.98 H new ATOM 0 HG21 VAL A 63 4.604 9.360 10.310 1.00 1.17 H new ATOM 0 HG22 VAL A 63 3.027 8.813 10.927 1.00 1.17 H new ATOM 0 HG23 VAL A 63 4.259 7.620 10.452 1.00 1.17 H new ATOM 961 N CYS A 64 0.491 7.870 6.964 1.00 0.49 N ATOM 962 CA CYS A 64 -0.085 7.884 5.633 1.00 0.49 C ATOM 963 C CYS A 64 0.644 8.875 4.725 1.00 0.47 C ATOM 964 O CYS A 64 0.976 9.989 5.136 1.00 0.51 O ATOM 965 CB CYS A 64 -1.569 8.221 5.737 1.00 0.59 C ATOM 966 SG CYS A 64 -1.925 9.762 6.618 1.00 1.68 S ATOM 0 H CYS A 64 -0.142 8.197 7.694 1.00 0.49 H new ATOM 0 HA CYS A 64 0.029 6.898 5.183 1.00 0.49 H new ATOM 0 HB2 CYS A 64 -1.986 8.287 4.732 1.00 0.59 H new ATOM 0 HB3 CYS A 64 -2.081 7.402 6.241 1.00 0.59 H new ATOM 0 HG CYS A 64 -3.210 9.957 6.649 1.00 1.68 H new ATOM 972 N MET A 65 0.903 8.453 3.494 1.00 0.48 N ATOM 973 CA MET A 65 1.669 9.255 2.550 1.00 0.53 C ATOM 974 C MET A 65 0.879 9.495 1.266 1.00 0.61 C ATOM 975 O MET A 65 1.375 9.255 0.166 1.00 0.81 O ATOM 976 CB MET A 65 2.994 8.557 2.219 1.00 0.61 C ATOM 977 CG MET A 65 3.888 8.314 3.426 1.00 0.63 C ATOM 978 SD MET A 65 4.428 9.843 4.211 1.00 0.61 S ATOM 979 CE MET A 65 5.444 9.207 5.537 1.00 0.74 C ATOM 0 H MET A 65 0.592 7.555 3.125 1.00 0.48 H new ATOM 0 HA MET A 65 1.873 10.220 3.015 1.00 0.53 H new ATOM 0 HB2 MET A 65 2.779 7.601 1.742 1.00 0.61 H new ATOM 0 HB3 MET A 65 3.539 9.161 1.493 1.00 0.61 H new ATOM 0 HG2 MET A 65 3.351 7.707 4.154 1.00 0.63 H new ATOM 0 HG3 MET A 65 4.762 7.741 3.116 1.00 0.63 H new ATOM 0 HE1 MET A 65 5.646 10.002 6.254 1.00 0.74 H new ATOM 0 HE2 MET A 65 4.921 8.392 6.037 1.00 0.74 H new ATOM 0 HE3 MET A 65 6.385 8.839 5.129 1.00 0.74 H new ATOM 989 N GLU A 66 -0.357 9.962 1.403 1.00 0.83 N ATOM 990 CA GLU A 66 -1.183 10.248 0.237 1.00 1.01 C ATOM 991 C GLU A 66 -1.125 11.729 -0.142 1.00 1.08 C ATOM 992 O GLU A 66 -1.151 12.078 -1.325 1.00 1.86 O ATOM 993 CB GLU A 66 -2.627 9.782 0.459 1.00 1.29 C ATOM 994 CG GLU A 66 -3.124 9.892 1.893 1.00 2.19 C ATOM 995 CD GLU A 66 -3.335 11.318 2.352 1.00 3.03 C ATOM 996 OE1 GLU A 66 -4.390 11.892 2.028 1.00 3.33 O ATOM 997 OE2 GLU A 66 -2.445 11.869 3.038 1.00 3.75 O ATOM 0 H GLU A 66 -0.805 10.149 2.300 1.00 0.83 H new ATOM 0 HA GLU A 66 -0.777 9.684 -0.603 1.00 1.01 H new ATOM 0 HB2 GLU A 66 -3.285 10.367 -0.184 1.00 1.29 H new ATOM 0 HB3 GLU A 66 -2.711 8.743 0.140 1.00 1.29 H new ATOM 0 HG2 GLU A 66 -4.063 9.346 1.986 1.00 2.19 H new ATOM 0 HG3 GLU A 66 -2.407 9.408 2.556 1.00 2.19 H new ATOM 1004 N GLY A 67 -1.050 12.595 0.857 1.00 1.21 N ATOM 1005 CA GLY A 67 -0.895 14.013 0.601 1.00 1.36 C ATOM 1006 C GLY A 67 0.542 14.458 0.750 1.00 1.24 C ATOM 1007 O GLY A 67 0.886 15.598 0.441 1.00 1.47 O ATOM 0 H GLY A 67 -1.094 12.341 1.844 1.00 1.21 H new ATOM 0 HA2 GLY A 67 -1.243 14.240 -0.407 1.00 1.36 H new ATOM 0 HA3 GLY A 67 -1.523 14.577 1.290 1.00 1.36 H new ATOM 1011 N LYS A 68 1.380 13.553 1.229 1.00 0.97 N ATOM 1012 CA LYS A 68 2.793 13.839 1.410 1.00 0.87 C ATOM 1013 C LYS A 68 3.511 13.952 0.078 1.00 0.90 C ATOM 1014 O LYS A 68 3.138 13.310 -0.905 1.00 1.06 O ATOM 1015 CB LYS A 68 3.447 12.748 2.243 1.00 0.73 C ATOM 1016 CG LYS A 68 2.837 12.595 3.618 1.00 1.24 C ATOM 1017 CD LYS A 68 2.820 13.909 4.370 1.00 2.01 C ATOM 1018 CE LYS A 68 2.501 13.689 5.831 1.00 2.81 C ATOM 1019 NZ LYS A 68 3.572 12.905 6.504 1.00 3.36 N ATOM 0 H LYS A 68 1.104 12.609 1.501 1.00 0.97 H new ATOM 0 HA LYS A 68 2.872 14.795 1.927 1.00 0.87 H new ATOM 0 HB2 LYS A 68 3.369 11.800 1.712 1.00 0.73 H new ATOM 0 HB3 LYS A 68 4.509 12.969 2.347 1.00 0.73 H new ATOM 0 HG2 LYS A 68 1.820 12.215 3.525 1.00 1.24 H new ATOM 0 HG3 LYS A 68 3.402 11.857 4.187 1.00 1.24 H new ATOM 0 HD2 LYS A 68 3.789 14.400 4.275 1.00 2.01 H new ATOM 0 HD3 LYS A 68 2.080 14.576 3.928 1.00 2.01 H new ATOM 0 HE2 LYS A 68 2.384 14.651 6.329 1.00 2.81 H new ATOM 0 HE3 LYS A 68 1.550 13.164 5.923 1.00 2.81 H new ATOM 0 HZ1 LYS A 68 3.801 13.344 7.419 1.00 3.36 H new ATOM 0 HZ2 LYS A 68 3.243 11.931 6.660 1.00 3.36 H new ATOM 0 HZ3 LYS A 68 4.422 12.892 5.904 1.00 3.36 H new ATOM 1033 N GLN A 69 4.537 14.779 0.058 1.00 0.87 N ATOM 1034 CA GLN A 69 5.343 14.963 -1.137 1.00 0.93 C ATOM 1035 C GLN A 69 6.444 13.910 -1.190 1.00 0.81 C ATOM 1036 O GLN A 69 6.661 13.194 -0.208 1.00 0.74 O ATOM 1037 CB GLN A 69 5.966 16.362 -1.159 1.00 1.07 C ATOM 1038 CG GLN A 69 4.976 17.491 -0.916 1.00 1.33 C ATOM 1039 CD GLN A 69 3.808 17.478 -1.885 1.00 2.12 C ATOM 1040 OE1 GLN A 69 3.874 18.065 -2.965 1.00 2.64 O ATOM 1041 NE2 GLN A 69 2.723 16.829 -1.499 1.00 2.89 N ATOM 0 H GLN A 69 4.835 15.337 0.858 1.00 0.87 H new ATOM 0 HA GLN A 69 4.696 14.855 -2.008 1.00 0.93 H new ATOM 0 HB2 GLN A 69 6.748 16.411 -0.401 1.00 1.07 H new ATOM 0 HB3 GLN A 69 6.447 16.518 -2.125 1.00 1.07 H new ATOM 0 HG2 GLN A 69 4.596 17.420 0.103 1.00 1.33 H new ATOM 0 HG3 GLN A 69 5.496 18.446 -0.996 1.00 1.33 H new ATOM 0 HE21 GLN A 69 2.707 16.354 -0.596 1.00 2.89 H new ATOM 0 HE22 GLN A 69 1.902 16.803 -2.104 1.00 2.89 H new ATOM 1050 N HIS A 70 7.143 13.828 -2.316 1.00 0.84 N ATOM 1051 CA HIS A 70 8.222 12.852 -2.489 1.00 0.79 C ATOM 1052 C HIS A 70 9.252 12.958 -1.361 1.00 0.70 C ATOM 1053 O HIS A 70 9.684 11.946 -0.808 1.00 0.65 O ATOM 1054 CB HIS A 70 8.892 13.058 -3.862 1.00 0.88 C ATOM 1055 CG HIS A 70 10.252 12.430 -4.003 1.00 0.90 C ATOM 1056 ND1 HIS A 70 10.454 11.099 -4.294 1.00 1.42 N ATOM 1057 CD2 HIS A 70 11.488 12.975 -3.892 1.00 1.37 C ATOM 1058 CE1 HIS A 70 11.750 10.854 -4.353 1.00 1.31 C ATOM 1059 NE2 HIS A 70 12.402 11.976 -4.112 1.00 1.13 N ATOM 0 H HIS A 70 6.984 14.426 -3.127 1.00 0.84 H new ATOM 0 HA HIS A 70 7.794 11.850 -2.448 1.00 0.79 H new ATOM 0 HB2 HIS A 70 8.238 12.652 -4.634 1.00 0.88 H new ATOM 0 HB3 HIS A 70 8.980 14.128 -4.050 1.00 0.88 H new ATOM 0 HD1 HIS A 70 9.717 10.410 -4.441 1.00 1.42 H new ATOM 0 HD2 HIS A 70 11.712 14.008 -3.671 1.00 1.37 H new ATOM 0 HE1 HIS A 70 12.201 9.896 -4.563 1.00 1.31 H new ATOM 1068 N GLY A 71 9.614 14.184 -1.012 1.00 0.72 N ATOM 1069 CA GLY A 71 10.611 14.405 0.019 1.00 0.69 C ATOM 1070 C GLY A 71 10.180 13.899 1.383 1.00 0.62 C ATOM 1071 O GLY A 71 10.976 13.299 2.102 1.00 0.62 O ATOM 0 H GLY A 71 9.233 15.035 -1.426 1.00 0.72 H new ATOM 0 HA2 GLY A 71 11.538 13.910 -0.269 1.00 0.69 H new ATOM 0 HA3 GLY A 71 10.826 15.472 0.085 1.00 0.69 H new ATOM 1075 N ASP A 72 8.914 14.119 1.729 1.00 0.61 N ATOM 1076 CA ASP A 72 8.399 13.739 3.046 1.00 0.58 C ATOM 1077 C ASP A 72 8.434 12.225 3.208 1.00 0.49 C ATOM 1078 O ASP A 72 8.862 11.709 4.241 1.00 0.44 O ATOM 1079 CB ASP A 72 6.965 14.248 3.236 1.00 0.68 C ATOM 1080 CG ASP A 72 6.569 14.352 4.700 1.00 1.16 C ATOM 1081 OD1 ASP A 72 6.798 15.424 5.300 1.00 2.03 O ATOM 1082 OD2 ASP A 72 6.005 13.385 5.252 1.00 1.47 O ATOM 0 H ASP A 72 8.225 14.558 1.118 1.00 0.61 H new ATOM 0 HA ASP A 72 9.035 14.196 3.805 1.00 0.58 H new ATOM 0 HB2 ASP A 72 6.866 15.227 2.767 1.00 0.68 H new ATOM 0 HB3 ASP A 72 6.275 13.578 2.724 1.00 0.68 H new ATOM 1087 N VAL A 73 8.011 11.519 2.165 1.00 0.50 N ATOM 1088 CA VAL A 73 7.978 10.062 2.184 1.00 0.45 C ATOM 1089 C VAL A 73 9.385 9.484 2.323 1.00 0.44 C ATOM 1090 O VAL A 73 9.625 8.600 3.144 1.00 0.43 O ATOM 1091 CB VAL A 73 7.331 9.501 0.901 1.00 0.51 C ATOM 1092 CG1 VAL A 73 7.222 7.985 0.958 1.00 1.08 C ATOM 1093 CG2 VAL A 73 5.966 10.128 0.669 1.00 0.97 C ATOM 0 H VAL A 73 7.685 11.935 1.293 1.00 0.50 H new ATOM 0 HA VAL A 73 7.379 9.768 3.046 1.00 0.45 H new ATOM 0 HB VAL A 73 7.976 9.759 0.061 1.00 0.51 H new ATOM 0 HG11 VAL A 73 6.762 7.619 0.040 1.00 1.08 H new ATOM 0 HG12 VAL A 73 8.217 7.552 1.063 1.00 1.08 H new ATOM 0 HG13 VAL A 73 6.609 7.696 1.811 1.00 1.08 H new ATOM 0 HG21 VAL A 73 5.527 9.718 -0.241 1.00 0.97 H new ATOM 0 HG22 VAL A 73 5.316 9.908 1.516 1.00 0.97 H new ATOM 0 HG23 VAL A 73 6.074 11.208 0.565 1.00 0.97 H new ATOM 1103 N VAL A 74 10.313 10.002 1.529 1.00 0.49 N ATOM 1104 CA VAL A 74 11.687 9.514 1.541 1.00 0.53 C ATOM 1105 C VAL A 74 12.371 9.830 2.868 1.00 0.51 C ATOM 1106 O VAL A 74 13.070 8.984 3.434 1.00 0.52 O ATOM 1107 CB VAL A 74 12.511 10.110 0.377 1.00 0.64 C ATOM 1108 CG1 VAL A 74 13.966 9.667 0.452 1.00 0.72 C ATOM 1109 CG2 VAL A 74 11.909 9.714 -0.962 1.00 0.70 C ATOM 0 H VAL A 74 10.140 10.760 0.869 1.00 0.49 H new ATOM 0 HA VAL A 74 11.641 8.432 1.415 1.00 0.53 H new ATOM 0 HB VAL A 74 12.480 11.196 0.468 1.00 0.64 H new ATOM 0 HG11 VAL A 74 14.522 10.101 -0.379 1.00 0.72 H new ATOM 0 HG12 VAL A 74 14.400 10.002 1.394 1.00 0.72 H new ATOM 0 HG13 VAL A 74 14.019 8.580 0.395 1.00 0.72 H new ATOM 0 HG21 VAL A 74 12.503 10.143 -1.769 1.00 0.70 H new ATOM 0 HG22 VAL A 74 11.905 8.628 -1.052 1.00 0.70 H new ATOM 0 HG23 VAL A 74 10.887 10.087 -1.026 1.00 0.70 H new ATOM 1119 N SER A 75 12.155 11.037 3.371 1.00 0.51 N ATOM 1120 CA SER A 75 12.775 11.462 4.617 1.00 0.52 C ATOM 1121 C SER A 75 12.267 10.614 5.780 1.00 0.47 C ATOM 1122 O SER A 75 13.034 10.249 6.671 1.00 0.51 O ATOM 1123 CB SER A 75 12.500 12.947 4.870 1.00 0.58 C ATOM 1124 OG SER A 75 13.363 13.462 5.871 1.00 0.66 O ATOM 0 H SER A 75 11.556 11.738 2.936 1.00 0.51 H new ATOM 0 HA SER A 75 13.853 11.322 4.536 1.00 0.52 H new ATOM 0 HB2 SER A 75 12.635 13.508 3.945 1.00 0.58 H new ATOM 0 HB3 SER A 75 11.462 13.081 5.176 1.00 0.58 H new ATOM 0 HG SER A 75 13.169 14.412 6.013 1.00 0.66 H new ATOM 1130 N ALA A 76 10.980 10.282 5.749 1.00 0.42 N ATOM 1131 CA ALA A 76 10.377 9.446 6.779 1.00 0.39 C ATOM 1132 C ALA A 76 11.030 8.068 6.821 1.00 0.37 C ATOM 1133 O ALA A 76 11.263 7.518 7.896 1.00 0.39 O ATOM 1134 CB ALA A 76 8.881 9.315 6.546 1.00 0.39 C ATOM 0 H ALA A 76 10.334 10.581 5.019 1.00 0.42 H new ATOM 0 HA ALA A 76 10.542 9.927 7.743 1.00 0.39 H new ATOM 0 HB1 ALA A 76 8.445 8.688 7.324 1.00 0.39 H new ATOM 0 HB2 ALA A 76 8.420 10.302 6.576 1.00 0.39 H new ATOM 0 HB3 ALA A 76 8.703 8.861 5.571 1.00 0.39 H new ATOM 1140 N ILE A 77 11.326 7.518 5.645 1.00 0.37 N ATOM 1141 CA ILE A 77 12.007 6.232 5.554 1.00 0.39 C ATOM 1142 C ILE A 77 13.382 6.304 6.213 1.00 0.41 C ATOM 1143 O ILE A 77 13.753 5.436 7.003 1.00 0.44 O ATOM 1144 CB ILE A 77 12.170 5.799 4.084 1.00 0.45 C ATOM 1145 CG1 ILE A 77 10.800 5.678 3.416 1.00 0.53 C ATOM 1146 CG2 ILE A 77 12.929 4.482 3.989 1.00 0.50 C ATOM 1147 CD1 ILE A 77 10.869 5.533 1.911 1.00 0.69 C ATOM 0 H ILE A 77 11.105 7.943 4.745 1.00 0.37 H new ATOM 0 HA ILE A 77 11.395 5.496 6.076 1.00 0.39 H new ATOM 0 HB ILE A 77 12.749 6.561 3.562 1.00 0.45 H new ATOM 0 HG12 ILE A 77 10.277 4.817 3.832 1.00 0.53 H new ATOM 0 HG13 ILE A 77 10.207 6.559 3.661 1.00 0.53 H new ATOM 0 HG21 ILE A 77 13.032 4.196 2.942 1.00 0.50 H new ATOM 0 HG22 ILE A 77 13.918 4.599 4.432 1.00 0.50 H new ATOM 0 HG23 ILE A 77 12.381 3.707 4.525 1.00 0.50 H new ATOM 0 HD11 ILE A 77 9.860 5.452 1.507 1.00 0.69 H new ATOM 0 HD12 ILE A 77 11.363 6.406 1.484 1.00 0.69 H new ATOM 0 HD13 ILE A 77 11.434 4.636 1.657 1.00 0.69 H new ATOM 1159 N ARG A 78 14.119 7.367 5.909 1.00 0.43 N ATOM 1160 CA ARG A 78 15.458 7.554 6.461 1.00 0.50 C ATOM 1161 C ARG A 78 15.385 7.769 7.972 1.00 0.50 C ATOM 1162 O ARG A 78 16.269 7.344 8.720 1.00 0.56 O ATOM 1163 CB ARG A 78 16.151 8.754 5.807 1.00 0.58 C ATOM 1164 CG ARG A 78 16.167 8.713 4.287 1.00 0.66 C ATOM 1165 CD ARG A 78 16.852 9.943 3.706 1.00 0.89 C ATOM 1166 NE ARG A 78 16.311 11.186 4.261 1.00 1.59 N ATOM 1167 CZ ARG A 78 16.278 12.352 3.613 1.00 2.11 C ATOM 1168 NH1 ARG A 78 16.756 12.451 2.375 1.00 2.12 N ATOM 1169 NH2 ARG A 78 15.757 13.420 4.205 1.00 3.09 N ATOM 0 H ARG A 78 13.813 8.112 5.284 1.00 0.43 H new ATOM 0 HA ARG A 78 16.037 6.654 6.253 1.00 0.50 H new ATOM 0 HB2 ARG A 78 15.651 9.668 6.129 1.00 0.58 H new ATOM 0 HB3 ARG A 78 17.178 8.808 6.169 1.00 0.58 H new ATOM 0 HG2 ARG A 78 16.684 7.814 3.951 1.00 0.66 H new ATOM 0 HG3 ARG A 78 15.145 8.652 3.912 1.00 0.66 H new ATOM 0 HD2 ARG A 78 17.922 9.891 3.908 1.00 0.89 H new ATOM 0 HD3 ARG A 78 16.732 9.947 2.623 1.00 0.89 H new ATOM 0 HE ARG A 78 15.933 11.158 5.208 1.00 1.59 H new ATOM 0 HH11 ARG A 78 17.152 11.632 1.914 1.00 2.12 H new ATOM 0 HH12 ARG A 78 16.727 13.346 1.887 1.00 2.12 H new ATOM 0 HH21 ARG A 78 15.384 13.347 5.152 1.00 3.09 H new ATOM 0 HH22 ARG A 78 15.730 14.313 3.713 1.00 3.09 H new ATOM 1183 N ALA A 79 14.312 8.411 8.416 1.00 0.47 N ATOM 1184 CA ALA A 79 14.126 8.722 9.826 1.00 0.51 C ATOM 1185 C ALA A 79 13.605 7.515 10.601 1.00 0.43 C ATOM 1186 O ALA A 79 13.390 7.591 11.810 1.00 0.46 O ATOM 1187 CB ALA A 79 13.180 9.900 9.984 1.00 0.65 C ATOM 0 H ALA A 79 13.552 8.728 7.814 1.00 0.47 H new ATOM 0 HA ALA A 79 15.098 8.988 10.241 1.00 0.51 H new ATOM 0 HB1 ALA A 79 13.049 10.122 11.043 1.00 0.65 H new ATOM 0 HB2 ALA A 79 13.597 10.771 9.479 1.00 0.65 H new ATOM 0 HB3 ALA A 79 12.214 9.653 9.543 1.00 0.65 H new ATOM 1193 N GLY A 80 13.399 6.407 9.904 1.00 0.41 N ATOM 1194 CA GLY A 80 12.975 5.188 10.564 1.00 0.42 C ATOM 1195 C GLY A 80 14.130 4.497 11.260 1.00 0.46 C ATOM 1196 O GLY A 80 13.934 3.575 12.053 1.00 0.60 O ATOM 0 H GLY A 80 13.518 6.330 8.894 1.00 0.41 H new ATOM 0 HA2 GLY A 80 12.198 5.420 11.292 1.00 0.42 H new ATOM 0 HA3 GLY A 80 12.534 4.512 9.831 1.00 0.42 H new ATOM 1200 N GLY A 81 15.337 4.959 10.972 1.00 0.49 N ATOM 1201 CA GLY A 81 16.520 4.361 11.545 1.00 0.63 C ATOM 1202 C GLY A 81 17.134 3.355 10.603 1.00 0.64 C ATOM 1203 O GLY A 81 17.394 3.665 9.440 1.00 1.10 O ATOM 0 H GLY A 81 15.517 5.744 10.346 1.00 0.49 H new ATOM 0 HA2 GLY A 81 17.248 5.138 11.776 1.00 0.63 H new ATOM 0 HA3 GLY A 81 16.265 3.874 12.486 1.00 0.63 H new ATOM 1207 N ASP A 82 17.363 2.147 11.092 1.00 0.43 N ATOM 1208 CA ASP A 82 17.895 1.086 10.251 1.00 0.44 C ATOM 1209 C ASP A 82 16.776 0.201 9.727 1.00 0.39 C ATOM 1210 O ASP A 82 16.986 -0.586 8.815 1.00 0.55 O ATOM 1211 CB ASP A 82 18.923 0.243 11.003 1.00 0.55 C ATOM 1212 CG ASP A 82 20.217 0.992 11.241 1.00 1.41 C ATOM 1213 OD1 ASP A 82 20.868 1.388 10.255 1.00 2.12 O ATOM 1214 OD2 ASP A 82 20.582 1.203 12.416 1.00 1.97 O ATOM 0 H ASP A 82 17.190 1.877 12.060 1.00 0.43 H new ATOM 0 HA ASP A 82 18.395 1.558 9.405 1.00 0.44 H new ATOM 0 HB2 ASP A 82 18.504 -0.068 11.960 1.00 0.55 H new ATOM 0 HB3 ASP A 82 19.130 -0.665 10.436 1.00 0.55 H new ATOM 1219 N GLU A 83 15.584 0.334 10.290 1.00 0.38 N ATOM 1220 CA GLU A 83 14.440 -0.441 9.819 1.00 0.39 C ATOM 1221 C GLU A 83 13.247 0.479 9.588 1.00 0.38 C ATOM 1222 O GLU A 83 13.007 1.401 10.365 1.00 0.53 O ATOM 1223 CB GLU A 83 14.057 -1.547 10.813 1.00 0.47 C ATOM 1224 CG GLU A 83 15.155 -1.912 11.791 1.00 0.86 C ATOM 1225 CD GLU A 83 14.709 -2.952 12.791 1.00 1.62 C ATOM 1226 OE1 GLU A 83 14.194 -2.573 13.861 1.00 2.00 O ATOM 1227 OE2 GLU A 83 14.871 -4.158 12.513 1.00 2.11 O ATOM 0 H GLU A 83 15.382 0.964 11.066 1.00 0.38 H new ATOM 0 HA GLU A 83 14.725 -0.916 8.880 1.00 0.39 H new ATOM 0 HB2 GLU A 83 13.178 -1.228 11.373 1.00 0.47 H new ATOM 0 HB3 GLU A 83 13.772 -2.439 10.255 1.00 0.47 H new ATOM 0 HG2 GLU A 83 16.018 -2.287 11.241 1.00 0.86 H new ATOM 0 HG3 GLU A 83 15.479 -1.016 12.321 1.00 0.86 H new ATOM 1234 N THR A 84 12.503 0.220 8.528 1.00 0.27 N ATOM 1235 CA THR A 84 11.369 1.051 8.170 1.00 0.26 C ATOM 1236 C THR A 84 10.170 0.183 7.803 1.00 0.22 C ATOM 1237 O THR A 84 10.325 -0.952 7.340 1.00 0.21 O ATOM 1238 CB THR A 84 11.710 2.008 7.004 1.00 0.30 C ATOM 1239 OG1 THR A 84 10.632 2.926 6.776 1.00 0.32 O ATOM 1240 CG2 THR A 84 11.994 1.237 5.722 1.00 0.30 C ATOM 0 H THR A 84 12.666 -0.565 7.897 1.00 0.27 H new ATOM 0 HA THR A 84 11.118 1.659 9.039 1.00 0.26 H new ATOM 0 HB THR A 84 12.606 2.561 7.286 1.00 0.30 H new ATOM 0 HG1 THR A 84 10.110 3.028 7.599 1.00 0.32 H new ATOM 0 HG21 THR A 84 12.230 1.937 4.921 1.00 0.30 H new ATOM 0 HG22 THR A 84 12.840 0.567 5.880 1.00 0.30 H new ATOM 0 HG23 THR A 84 11.116 0.653 5.446 1.00 0.30 H new ATOM 1248 N LYS A 85 8.978 0.695 8.057 1.00 0.24 N ATOM 1249 CA LYS A 85 7.760 -0.018 7.725 1.00 0.23 C ATOM 1250 C LYS A 85 7.092 0.615 6.519 1.00 0.23 C ATOM 1251 O LYS A 85 6.682 1.773 6.562 1.00 0.26 O ATOM 1252 CB LYS A 85 6.792 -0.010 8.903 1.00 0.28 C ATOM 1253 CG LYS A 85 7.233 -0.862 10.079 1.00 0.37 C ATOM 1254 CD LYS A 85 6.332 -0.622 11.273 1.00 0.50 C ATOM 1255 CE LYS A 85 6.654 -1.545 12.433 1.00 0.78 C ATOM 1256 NZ LYS A 85 5.779 -1.275 13.605 1.00 1.63 N ATOM 0 H LYS A 85 8.829 1.605 8.493 1.00 0.24 H new ATOM 0 HA LYS A 85 8.025 -1.049 7.492 1.00 0.23 H new ATOM 0 HB2 LYS A 85 6.660 1.017 9.243 1.00 0.28 H new ATOM 0 HB3 LYS A 85 5.818 -0.360 8.561 1.00 0.28 H new ATOM 0 HG2 LYS A 85 7.208 -1.916 9.802 1.00 0.37 H new ATOM 0 HG3 LYS A 85 8.264 -0.626 10.341 1.00 0.37 H new ATOM 0 HD2 LYS A 85 6.431 0.414 11.598 1.00 0.50 H new ATOM 0 HD3 LYS A 85 5.293 -0.765 10.976 1.00 0.50 H new ATOM 0 HE2 LYS A 85 6.533 -2.582 12.119 1.00 0.78 H new ATOM 0 HE3 LYS A 85 7.698 -1.419 12.720 1.00 0.78 H new ATOM 0 HZ1 LYS A 85 6.026 -1.924 14.380 1.00 1.63 H new ATOM 0 HZ2 LYS A 85 5.913 -0.293 13.920 1.00 1.63 H new ATOM 0 HZ3 LYS A 85 4.785 -1.420 13.337 1.00 1.63 H new ATOM 1270 N LEU A 86 6.975 -0.147 5.456 1.00 0.22 N ATOM 1271 CA LEU A 86 6.330 0.330 4.253 1.00 0.22 C ATOM 1272 C LEU A 86 5.020 -0.410 4.043 1.00 0.22 C ATOM 1273 O LEU A 86 4.984 -1.640 4.021 1.00 0.27 O ATOM 1274 CB LEU A 86 7.243 0.145 3.037 1.00 0.24 C ATOM 1275 CG LEU A 86 8.571 0.905 3.099 1.00 0.25 C ATOM 1276 CD1 LEU A 86 9.379 0.668 1.832 1.00 0.28 C ATOM 1277 CD2 LEU A 86 8.326 2.393 3.304 1.00 0.28 C ATOM 0 H LEU A 86 7.320 -1.105 5.399 1.00 0.22 H new ATOM 0 HA LEU A 86 6.126 1.395 4.367 1.00 0.22 H new ATOM 0 HB2 LEU A 86 7.456 -0.918 2.920 1.00 0.24 H new ATOM 0 HB3 LEU A 86 6.702 0.462 2.145 1.00 0.24 H new ATOM 0 HG LEU A 86 9.143 0.531 3.948 1.00 0.25 H new ATOM 0 HD11 LEU A 86 10.320 1.215 1.893 1.00 0.28 H new ATOM 0 HD12 LEU A 86 9.585 -0.397 1.726 1.00 0.28 H new ATOM 0 HD13 LEU A 86 8.812 1.016 0.968 1.00 0.28 H new ATOM 0 HD21 LEU A 86 9.281 2.917 3.346 1.00 0.28 H new ATOM 0 HD22 LEU A 86 7.735 2.782 2.475 1.00 0.28 H new ATOM 0 HD23 LEU A 86 7.787 2.548 4.238 1.00 0.28 H new ATOM 1289 N LEU A 87 3.943 0.336 3.915 1.00 0.20 N ATOM 1290 CA LEU A 87 2.651 -0.252 3.630 1.00 0.21 C ATOM 1291 C LEU A 87 2.308 -0.009 2.175 1.00 0.21 C ATOM 1292 O LEU A 87 2.269 1.136 1.722 1.00 0.26 O ATOM 1293 CB LEU A 87 1.567 0.344 4.527 1.00 0.27 C ATOM 1294 CG LEU A 87 0.173 -0.248 4.323 1.00 0.39 C ATOM 1295 CD1 LEU A 87 0.109 -1.666 4.856 1.00 0.51 C ATOM 1296 CD2 LEU A 87 -0.874 0.619 4.989 1.00 0.45 C ATOM 0 H LEU A 87 3.937 1.352 4.004 1.00 0.20 H new ATOM 0 HA LEU A 87 2.700 -1.323 3.828 1.00 0.21 H new ATOM 0 HB2 LEU A 87 1.858 0.203 5.568 1.00 0.27 H new ATOM 0 HB3 LEU A 87 1.520 1.419 4.352 1.00 0.27 H new ATOM 0 HG LEU A 87 -0.033 -0.277 3.253 1.00 0.39 H new ATOM 0 HD11 LEU A 87 -0.892 -2.068 4.701 1.00 0.51 H new ATOM 0 HD12 LEU A 87 0.835 -2.286 4.330 1.00 0.51 H new ATOM 0 HD13 LEU A 87 0.338 -1.665 5.922 1.00 0.51 H new ATOM 0 HD21 LEU A 87 -1.861 0.182 4.834 1.00 0.45 H new ATOM 0 HD22 LEU A 87 -0.669 0.681 6.058 1.00 0.45 H new ATOM 0 HD23 LEU A 87 -0.848 1.619 4.556 1.00 0.45 H new ATOM 1308 N VAL A 88 2.076 -1.081 1.445 1.00 0.20 N ATOM 1309 CA VAL A 88 1.850 -0.987 0.016 1.00 0.23 C ATOM 1310 C VAL A 88 0.598 -1.748 -0.399 1.00 0.24 C ATOM 1311 O VAL A 88 0.061 -2.550 0.373 1.00 0.27 O ATOM 1312 CB VAL A 88 3.068 -1.507 -0.779 1.00 0.28 C ATOM 1313 CG1 VAL A 88 4.228 -0.528 -0.692 1.00 0.31 C ATOM 1314 CG2 VAL A 88 3.501 -2.872 -0.270 1.00 0.33 C ATOM 0 H VAL A 88 2.039 -2.030 1.818 1.00 0.20 H new ATOM 0 HA VAL A 88 1.707 0.068 -0.216 1.00 0.23 H new ATOM 0 HB VAL A 88 2.769 -1.602 -1.823 1.00 0.28 H new ATOM 0 HG11 VAL A 88 5.074 -0.915 -1.259 1.00 0.31 H new ATOM 0 HG12 VAL A 88 3.924 0.434 -1.105 1.00 0.31 H new ATOM 0 HG13 VAL A 88 4.518 -0.400 0.351 1.00 0.31 H new ATOM 0 HG21 VAL A 88 4.360 -3.219 -0.844 1.00 0.33 H new ATOM 0 HG22 VAL A 88 3.774 -2.798 0.783 1.00 0.33 H new ATOM 0 HG23 VAL A 88 2.680 -3.580 -0.383 1.00 0.33 H new ATOM 1324 N VAL A 89 0.129 -1.467 -1.609 1.00 0.24 N ATOM 1325 CA VAL A 89 -1.062 -2.105 -2.156 1.00 0.27 C ATOM 1326 C VAL A 89 -0.846 -2.501 -3.609 1.00 0.34 C ATOM 1327 O VAL A 89 -0.150 -1.811 -4.357 1.00 0.42 O ATOM 1328 CB VAL A 89 -2.302 -1.182 -2.078 1.00 0.25 C ATOM 1329 CG1 VAL A 89 -2.806 -1.065 -0.652 1.00 0.29 C ATOM 1330 CG2 VAL A 89 -1.988 0.196 -2.643 1.00 0.30 C ATOM 0 H VAL A 89 0.563 -0.791 -2.238 1.00 0.24 H new ATOM 0 HA VAL A 89 -1.243 -2.992 -1.549 1.00 0.27 H new ATOM 0 HB VAL A 89 -3.089 -1.632 -2.683 1.00 0.25 H new ATOM 0 HG11 VAL A 89 -3.677 -0.411 -0.627 1.00 0.29 H new ATOM 0 HG12 VAL A 89 -3.082 -2.052 -0.282 1.00 0.29 H new ATOM 0 HG13 VAL A 89 -2.021 -0.648 -0.022 1.00 0.29 H new ATOM 0 HG21 VAL A 89 -2.875 0.827 -2.577 1.00 0.30 H new ATOM 0 HG22 VAL A 89 -1.178 0.648 -2.071 1.00 0.30 H new ATOM 0 HG23 VAL A 89 -1.686 0.101 -3.686 1.00 0.30 H new ATOM 1340 N ASP A 90 -1.454 -3.617 -3.995 1.00 0.41 N ATOM 1341 CA ASP A 90 -1.396 -4.097 -5.371 1.00 0.51 C ATOM 1342 C ASP A 90 -2.413 -3.339 -6.217 1.00 0.48 C ATOM 1343 O ASP A 90 -3.280 -2.655 -5.670 1.00 0.45 O ATOM 1344 CB ASP A 90 -1.687 -5.608 -5.413 1.00 0.68 C ATOM 1345 CG ASP A 90 -1.530 -6.232 -6.791 1.00 1.20 C ATOM 1346 OD1 ASP A 90 -2.503 -6.213 -7.577 1.00 1.92 O ATOM 1347 OD2 ASP A 90 -0.422 -6.718 -7.107 1.00 1.86 O ATOM 0 H ASP A 90 -1.997 -4.211 -3.368 1.00 0.41 H new ATOM 0 HA ASP A 90 -0.398 -3.924 -5.774 1.00 0.51 H new ATOM 0 HB2 ASP A 90 -1.018 -6.115 -4.718 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -2.704 -5.781 -5.061 1.00 0.68 H new ATOM 1352 N ARG A 91 -2.327 -3.467 -7.531 1.00 0.57 N ATOM 1353 CA ARG A 91 -3.221 -2.744 -8.436 1.00 0.61 C ATOM 1354 C ARG A 91 -4.684 -3.046 -8.125 1.00 0.55 C ATOM 1355 O ARG A 91 -5.501 -2.130 -7.990 1.00 0.55 O ATOM 1356 CB ARG A 91 -2.918 -3.106 -9.893 1.00 0.75 C ATOM 1357 CG ARG A 91 -4.035 -2.726 -10.858 1.00 0.82 C ATOM 1358 CD ARG A 91 -3.665 -3.034 -12.297 1.00 1.44 C ATOM 1359 NE ARG A 91 -2.783 -2.015 -12.863 1.00 2.25 N ATOM 1360 CZ ARG A 91 -1.650 -2.277 -13.505 1.00 3.13 C ATOM 1361 NH1 ARG A 91 -1.215 -3.527 -13.620 1.00 3.39 N ATOM 1362 NH2 ARG A 91 -0.936 -1.279 -14.013 1.00 4.16 N ATOM 0 H ARG A 91 -1.647 -4.065 -8.001 1.00 0.57 H new ATOM 0 HA ARG A 91 -3.049 -1.678 -8.288 1.00 0.61 H new ATOM 0 HB2 ARG A 91 -1.998 -2.607 -10.199 1.00 0.75 H new ATOM 0 HB3 ARG A 91 -2.737 -4.179 -9.963 1.00 0.75 H new ATOM 0 HG2 ARG A 91 -4.944 -3.266 -10.593 1.00 0.82 H new ATOM 0 HG3 ARG A 91 -4.255 -1.663 -10.759 1.00 0.82 H new ATOM 0 HD2 ARG A 91 -3.175 -4.006 -12.346 1.00 1.44 H new ATOM 0 HD3 ARG A 91 -4.572 -3.104 -12.898 1.00 1.44 H new ATOM 0 HE ARG A 91 -3.056 -1.038 -12.758 1.00 2.25 H new ATOM 0 HH11 ARG A 91 -1.752 -4.293 -13.214 1.00 3.39 H new ATOM 0 HH12 ARG A 91 -0.344 -3.720 -14.114 1.00 3.39 H new ATOM 0 HH21 ARG A 91 -1.258 -0.317 -13.909 1.00 4.16 H new ATOM 0 HH22 ARG A 91 -0.065 -1.475 -14.507 1.00 4.16 H new ATOM 1376 N GLU A 92 -4.999 -4.327 -7.974 1.00 0.57 N ATOM 1377 CA GLU A 92 -6.371 -4.757 -7.735 1.00 0.61 C ATOM 1378 C GLU A 92 -6.871 -4.199 -6.406 1.00 0.51 C ATOM 1379 O GLU A 92 -8.054 -3.901 -6.241 1.00 0.56 O ATOM 1380 CB GLU A 92 -6.436 -6.285 -7.721 1.00 0.74 C ATOM 1381 CG GLU A 92 -7.842 -6.845 -7.840 1.00 1.44 C ATOM 1382 CD GLU A 92 -8.475 -6.551 -9.182 1.00 1.98 C ATOM 1383 OE1 GLU A 92 -7.979 -7.060 -10.210 1.00 2.26 O ATOM 1384 OE2 GLU A 92 -9.460 -5.785 -9.221 1.00 2.68 O ATOM 0 H GLU A 92 -4.321 -5.088 -8.013 1.00 0.57 H new ATOM 0 HA GLU A 92 -7.008 -4.379 -8.534 1.00 0.61 H new ATOM 0 HB2 GLU A 92 -5.832 -6.672 -8.542 1.00 0.74 H new ATOM 0 HB3 GLU A 92 -5.988 -6.649 -6.796 1.00 0.74 H new ATOM 0 HG2 GLU A 92 -7.814 -7.923 -7.685 1.00 1.44 H new ATOM 0 HG3 GLU A 92 -8.464 -6.425 -7.049 1.00 1.44 H new ATOM 1391 N THR A 93 -5.949 -4.042 -5.471 1.00 0.44 N ATOM 1392 CA THR A 93 -6.267 -3.529 -4.153 1.00 0.38 C ATOM 1393 C THR A 93 -6.473 -2.017 -4.189 1.00 0.33 C ATOM 1394 O THR A 93 -7.483 -1.505 -3.705 1.00 0.37 O ATOM 1395 CB THR A 93 -5.132 -3.849 -3.170 1.00 0.36 C ATOM 1396 OG1 THR A 93 -4.757 -5.228 -3.291 1.00 0.47 O ATOM 1397 CG2 THR A 93 -5.551 -3.550 -1.741 1.00 0.36 C ATOM 0 H THR A 93 -4.963 -4.266 -5.605 1.00 0.44 H new ATOM 0 HA THR A 93 -7.189 -4.009 -3.825 1.00 0.38 H new ATOM 0 HB THR A 93 -4.277 -3.218 -3.415 1.00 0.36 H new ATOM 0 HG1 THR A 93 -4.031 -5.426 -2.663 1.00 0.47 H new ATOM 0 HG21 THR A 93 -4.730 -3.785 -1.064 1.00 0.36 H new ATOM 0 HG22 THR A 93 -5.805 -2.494 -1.650 1.00 0.36 H new ATOM 0 HG23 THR A 93 -6.419 -4.156 -1.482 1.00 0.36 H new ATOM 1405 N ASP A 94 -5.511 -1.315 -4.777 1.00 0.33 N ATOM 1406 CA ASP A 94 -5.512 0.143 -4.779 1.00 0.39 C ATOM 1407 C ASP A 94 -6.719 0.702 -5.514 1.00 0.43 C ATOM 1408 O ASP A 94 -7.411 1.580 -5.002 1.00 0.50 O ATOM 1409 CB ASP A 94 -4.236 0.680 -5.416 1.00 0.48 C ATOM 1410 CG ASP A 94 -4.234 2.192 -5.487 1.00 0.71 C ATOM 1411 OD1 ASP A 94 -4.472 2.840 -4.448 1.00 0.77 O ATOM 1412 OD2 ASP A 94 -3.971 2.740 -6.577 1.00 1.18 O ATOM 0 H ASP A 94 -4.717 -1.735 -5.261 1.00 0.33 H new ATOM 0 HA ASP A 94 -5.563 0.466 -3.739 1.00 0.39 H new ATOM 0 HB2 ASP A 94 -3.373 0.342 -4.841 1.00 0.48 H new ATOM 0 HB3 ASP A 94 -4.131 0.269 -6.420 1.00 0.48 H new ATOM 1417 N GLU A 95 -6.989 0.179 -6.703 1.00 0.43 N ATOM 1418 CA GLU A 95 -8.105 0.670 -7.494 1.00 0.49 C ATOM 1419 C GLU A 95 -9.431 0.363 -6.807 1.00 0.45 C ATOM 1420 O GLU A 95 -10.406 1.091 -6.978 1.00 0.50 O ATOM 1421 CB GLU A 95 -8.071 0.096 -8.912 1.00 0.60 C ATOM 1422 CG GLU A 95 -6.880 0.587 -9.723 1.00 0.72 C ATOM 1423 CD GLU A 95 -7.044 0.356 -11.213 1.00 1.17 C ATOM 1424 OE1 GLU A 95 -8.072 0.792 -11.774 1.00 1.23 O ATOM 1425 OE2 GLU A 95 -6.138 -0.236 -11.838 1.00 1.94 O ATOM 0 H GLU A 95 -6.457 -0.576 -7.135 1.00 0.43 H new ATOM 0 HA GLU A 95 -8.011 1.753 -7.575 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -8.043 -0.992 -8.857 1.00 0.60 H new ATOM 0 HB3 GLU A 95 -8.992 0.365 -9.429 1.00 0.60 H new ATOM 0 HG2 GLU A 95 -6.736 1.652 -9.539 1.00 0.72 H new ATOM 0 HG3 GLU A 95 -5.979 0.080 -9.379 1.00 0.72 H new ATOM 1432 N PHE A 96 -9.450 -0.701 -6.010 1.00 0.41 N ATOM 1433 CA PHE A 96 -10.623 -1.042 -5.212 1.00 0.41 C ATOM 1434 C PHE A 96 -10.838 -0.003 -4.112 1.00 0.36 C ATOM 1435 O PHE A 96 -11.954 0.473 -3.900 1.00 0.40 O ATOM 1436 CB PHE A 96 -10.465 -2.438 -4.602 1.00 0.44 C ATOM 1437 CG PHE A 96 -11.620 -2.856 -3.735 1.00 0.51 C ATOM 1438 CD1 PHE A 96 -12.838 -3.200 -4.300 1.00 0.63 C ATOM 1439 CD2 PHE A 96 -11.485 -2.910 -2.356 1.00 0.52 C ATOM 1440 CE1 PHE A 96 -13.901 -3.587 -3.507 1.00 0.73 C ATOM 1441 CE2 PHE A 96 -12.545 -3.296 -1.559 1.00 0.62 C ATOM 1442 CZ PHE A 96 -13.755 -3.636 -2.135 1.00 0.72 C ATOM 0 H PHE A 96 -8.665 -1.343 -5.900 1.00 0.41 H new ATOM 0 HA PHE A 96 -11.497 -1.044 -5.863 1.00 0.41 H new ATOM 0 HB2 PHE A 96 -10.345 -3.164 -5.406 1.00 0.44 H new ATOM 0 HB3 PHE A 96 -9.550 -2.464 -4.010 1.00 0.44 H new ATOM 0 HD1 PHE A 96 -12.957 -3.165 -5.373 1.00 0.63 H new ATOM 0 HD2 PHE A 96 -10.542 -2.648 -1.901 1.00 0.52 H new ATOM 0 HE1 PHE A 96 -14.845 -3.851 -3.960 1.00 0.73 H new ATOM 0 HE2 PHE A 96 -12.429 -3.332 -0.486 1.00 0.62 H new ATOM 0 HZ PHE A 96 -14.584 -3.939 -1.513 1.00 0.72 H new ATOM 1452 N PHE A 97 -9.763 0.353 -3.419 1.00 0.32 N ATOM 1453 CA PHE A 97 -9.826 1.390 -2.397 1.00 0.32 C ATOM 1454 C PHE A 97 -10.176 2.745 -3.012 1.00 0.39 C ATOM 1455 O PHE A 97 -11.023 3.470 -2.492 1.00 0.44 O ATOM 1456 CB PHE A 97 -8.496 1.488 -1.645 1.00 0.30 C ATOM 1457 CG PHE A 97 -8.364 0.528 -0.495 1.00 0.29 C ATOM 1458 CD1 PHE A 97 -8.799 0.891 0.768 1.00 0.38 C ATOM 1459 CD2 PHE A 97 -7.791 -0.721 -0.665 1.00 0.37 C ATOM 1460 CE1 PHE A 97 -8.672 0.028 1.838 1.00 0.41 C ATOM 1461 CE2 PHE A 97 -7.657 -1.592 0.405 1.00 0.40 C ATOM 1462 CZ PHE A 97 -8.098 -1.215 1.659 1.00 0.35 C ATOM 0 H PHE A 97 -8.839 -0.060 -3.546 1.00 0.32 H new ATOM 0 HA PHE A 97 -10.611 1.115 -1.693 1.00 0.32 H new ATOM 0 HB2 PHE A 97 -7.681 1.310 -2.347 1.00 0.30 H new ATOM 0 HB3 PHE A 97 -8.378 2.505 -1.270 1.00 0.30 H new ATOM 0 HD1 PHE A 97 -9.244 1.863 0.918 1.00 0.38 H new ATOM 0 HD2 PHE A 97 -7.444 -1.020 -1.643 1.00 0.37 H new ATOM 0 HE1 PHE A 97 -9.022 0.325 2.816 1.00 0.41 H new ATOM 0 HE2 PHE A 97 -7.209 -2.564 0.259 1.00 0.40 H new ATOM 0 HZ PHE A 97 -7.994 -1.890 2.496 1.00 0.35 H new ATOM 1472 N LYS A 98 -9.537 3.064 -4.133 1.00 0.43 N ATOM 1473 CA LYS A 98 -9.734 4.347 -4.803 1.00 0.53 C ATOM 1474 C LYS A 98 -11.175 4.554 -5.259 1.00 0.56 C ATOM 1475 O LYS A 98 -11.744 5.626 -5.058 1.00 0.61 O ATOM 1476 CB LYS A 98 -8.792 4.473 -6.000 1.00 0.63 C ATOM 1477 CG LYS A 98 -7.356 4.771 -5.604 1.00 0.85 C ATOM 1478 CD LYS A 98 -6.414 4.742 -6.799 1.00 1.13 C ATOM 1479 CE LYS A 98 -6.715 5.843 -7.804 1.00 1.31 C ATOM 1480 NZ LYS A 98 -6.604 7.200 -7.207 1.00 1.92 N ATOM 0 H LYS A 98 -8.873 2.447 -4.600 1.00 0.43 H new ATOM 0 HA LYS A 98 -9.507 5.122 -4.071 1.00 0.53 H new ATOM 0 HB2 LYS A 98 -8.819 3.547 -6.574 1.00 0.63 H new ATOM 0 HB3 LYS A 98 -9.153 5.265 -6.656 1.00 0.63 H new ATOM 0 HG2 LYS A 98 -7.308 5.751 -5.129 1.00 0.85 H new ATOM 0 HG3 LYS A 98 -7.026 4.041 -4.865 1.00 0.85 H new ATOM 0 HD2 LYS A 98 -5.386 4.844 -6.450 1.00 1.13 H new ATOM 0 HD3 LYS A 98 -6.488 3.773 -7.293 1.00 1.13 H new ATOM 0 HE2 LYS A 98 -6.027 5.762 -8.645 1.00 1.31 H new ATOM 0 HE3 LYS A 98 -7.721 5.704 -8.200 1.00 1.31 H new ATOM 0 HZ1 LYS A 98 -6.599 7.913 -7.964 1.00 1.92 H new ATOM 0 HZ2 LYS A 98 -7.414 7.370 -6.577 1.00 1.92 H new ATOM 0 HZ3 LYS A 98 -5.721 7.268 -6.661 1.00 1.92 H new ATOM 1494 N LYS A 99 -11.764 3.530 -5.869 1.00 0.55 N ATOM 1495 CA LYS A 99 -13.133 3.630 -6.375 1.00 0.63 C ATOM 1496 C LYS A 99 -14.124 3.806 -5.233 1.00 0.63 C ATOM 1497 O LYS A 99 -15.208 4.362 -5.420 1.00 0.75 O ATOM 1498 CB LYS A 99 -13.508 2.396 -7.203 1.00 0.66 C ATOM 1499 CG LYS A 99 -13.374 1.081 -6.451 1.00 0.60 C ATOM 1500 CD LYS A 99 -13.807 -0.096 -7.305 1.00 0.76 C ATOM 1501 CE LYS A 99 -12.976 -0.191 -8.572 1.00 1.62 C ATOM 1502 NZ LYS A 99 -13.406 -1.317 -9.440 1.00 2.04 N ATOM 0 H LYS A 99 -11.320 2.625 -6.025 1.00 0.55 H new ATOM 0 HA LYS A 99 -13.179 4.508 -7.019 1.00 0.63 H new ATOM 0 HB2 LYS A 99 -14.536 2.502 -7.548 1.00 0.66 H new ATOM 0 HB3 LYS A 99 -12.876 2.361 -8.090 1.00 0.66 H new ATOM 0 HG2 LYS A 99 -12.339 0.943 -6.139 1.00 0.60 H new ATOM 0 HG3 LYS A 99 -13.979 1.116 -5.545 1.00 0.60 H new ATOM 0 HD2 LYS A 99 -13.710 -1.019 -6.733 1.00 0.76 H new ATOM 0 HD3 LYS A 99 -14.860 0.008 -7.565 1.00 0.76 H new ATOM 0 HE2 LYS A 99 -13.054 0.744 -9.127 1.00 1.62 H new ATOM 0 HE3 LYS A 99 -11.926 -0.318 -8.308 1.00 1.62 H new ATOM 0 HZ1 LYS A 99 -12.812 -1.344 -10.293 1.00 2.04 H new ATOM 0 HZ2 LYS A 99 -13.308 -2.213 -8.921 1.00 2.04 H new ATOM 0 HZ3 LYS A 99 -14.400 -1.184 -9.715 1.00 2.04 H new ATOM 1516 N CYS A 100 -13.749 3.333 -4.054 1.00 0.55 N ATOM 1517 CA CYS A 100 -14.602 3.454 -2.881 1.00 0.60 C ATOM 1518 C CYS A 100 -14.199 4.673 -2.043 1.00 0.61 C ATOM 1519 O CYS A 100 -14.790 4.942 -0.995 1.00 0.68 O ATOM 1520 CB CYS A 100 -14.528 2.173 -2.039 1.00 0.60 C ATOM 1521 SG CYS A 100 -15.824 2.023 -0.783 1.00 1.39 S ATOM 0 H CYS A 100 -12.860 2.862 -3.884 1.00 0.55 H new ATOM 0 HA CYS A 100 -15.631 3.595 -3.213 1.00 0.60 H new ATOM 0 HB2 CYS A 100 -14.584 1.312 -2.705 1.00 0.60 H new ATOM 0 HB3 CYS A 100 -13.556 2.133 -1.547 1.00 0.60 H new ATOM 0 HG CYS A 100 -16.008 3.175 -0.209 1.00 1.39 H new ATOM 1527 N ARG A 101 -13.184 5.403 -2.519 1.00 0.59 N ATOM 1528 CA ARG A 101 -12.687 6.612 -1.847 1.00 0.65 C ATOM 1529 C ARG A 101 -12.085 6.292 -0.481 1.00 0.64 C ATOM 1530 O ARG A 101 -12.124 7.116 0.435 1.00 0.75 O ATOM 1531 CB ARG A 101 -13.795 7.663 -1.691 1.00 0.77 C ATOM 1532 CG ARG A 101 -14.029 8.524 -2.923 1.00 0.79 C ATOM 1533 CD ARG A 101 -14.569 7.729 -4.097 1.00 1.19 C ATOM 1534 NE ARG A 101 -14.843 8.598 -5.240 1.00 2.14 N ATOM 1535 CZ ARG A 101 -15.153 8.170 -6.463 1.00 3.08 C ATOM 1536 NH1 ARG A 101 -15.286 6.871 -6.708 1.00 3.37 N ATOM 1537 NH2 ARG A 101 -15.347 9.055 -7.433 1.00 4.09 N ATOM 0 H ARG A 101 -12.684 5.174 -3.378 1.00 0.59 H new ATOM 0 HA ARG A 101 -11.902 7.022 -2.483 1.00 0.65 H new ATOM 0 HB2 ARG A 101 -14.726 7.156 -1.436 1.00 0.77 H new ATOM 0 HB3 ARG A 101 -13.546 8.313 -0.852 1.00 0.77 H new ATOM 0 HG2 ARG A 101 -14.730 9.322 -2.676 1.00 0.79 H new ATOM 0 HG3 ARG A 101 -13.092 9.000 -3.212 1.00 0.79 H new ATOM 0 HD2 ARG A 101 -13.849 6.963 -4.383 1.00 1.19 H new ATOM 0 HD3 ARG A 101 -15.483 7.213 -3.801 1.00 1.19 H new ATOM 0 HE ARG A 101 -14.793 9.606 -5.090 1.00 2.14 H new ATOM 0 HH11 ARG A 101 -15.151 6.194 -5.957 1.00 3.37 H new ATOM 0 HH12 ARG A 101 -15.524 6.551 -7.647 1.00 3.37 H new ATOM 0 HH21 ARG A 101 -15.258 10.052 -7.239 1.00 4.09 H new ATOM 0 HH22 ARG A 101 -15.585 8.738 -8.373 1.00 4.09 H new ATOM 1551 N VAL A 102 -11.512 5.108 -0.352 1.00 0.55 N ATOM 1552 CA VAL A 102 -10.941 4.674 0.912 1.00 0.57 C ATOM 1553 C VAL A 102 -9.423 4.629 0.821 1.00 0.49 C ATOM 1554 O VAL A 102 -8.867 4.225 -0.198 1.00 0.46 O ATOM 1555 CB VAL A 102 -11.467 3.280 1.317 1.00 0.69 C ATOM 1556 CG1 VAL A 102 -10.977 2.896 2.703 1.00 0.89 C ATOM 1557 CG2 VAL A 102 -12.983 3.242 1.260 1.00 1.42 C ATOM 0 H VAL A 102 -11.430 4.429 -1.108 1.00 0.55 H new ATOM 0 HA VAL A 102 -11.242 5.396 1.672 1.00 0.57 H new ATOM 0 HB VAL A 102 -11.076 2.553 0.605 1.00 0.69 H new ATOM 0 HG11 VAL A 102 -11.361 1.910 2.965 1.00 0.89 H new ATOM 0 HG12 VAL A 102 -9.887 2.874 2.711 1.00 0.89 H new ATOM 0 HG13 VAL A 102 -11.330 3.628 3.430 1.00 0.89 H new ATOM 0 HG21 VAL A 102 -13.333 2.251 1.549 1.00 1.42 H new ATOM 0 HG22 VAL A 102 -13.392 3.985 1.945 1.00 1.42 H new ATOM 0 HG23 VAL A 102 -13.315 3.462 0.245 1.00 1.42 H new ATOM 1567 N ILE A 103 -8.758 5.064 1.877 1.00 0.54 N ATOM 1568 CA ILE A 103 -7.307 5.014 1.936 1.00 0.50 C ATOM 1569 C ILE A 103 -6.859 3.736 2.637 1.00 0.43 C ATOM 1570 O ILE A 103 -7.318 3.431 3.740 1.00 0.46 O ATOM 1571 CB ILE A 103 -6.730 6.246 2.672 1.00 0.61 C ATOM 1572 CG1 ILE A 103 -7.090 7.531 1.919 1.00 0.78 C ATOM 1573 CG2 ILE A 103 -5.220 6.127 2.837 1.00 0.62 C ATOM 1574 CD1 ILE A 103 -6.577 7.571 0.493 1.00 1.33 C ATOM 0 H ILE A 103 -9.201 5.457 2.708 1.00 0.54 H new ATOM 0 HA ILE A 103 -6.928 5.022 0.914 1.00 0.50 H new ATOM 0 HB ILE A 103 -7.174 6.288 3.667 1.00 0.61 H new ATOM 0 HG12 ILE A 103 -8.174 7.643 1.908 1.00 0.78 H new ATOM 0 HG13 ILE A 103 -6.687 8.385 2.464 1.00 0.78 H new ATOM 0 HG21 ILE A 103 -4.840 7.006 3.357 1.00 0.62 H new ATOM 0 HG22 ILE A 103 -4.987 5.234 3.416 1.00 0.62 H new ATOM 0 HG23 ILE A 103 -4.751 6.056 1.856 1.00 0.62 H new ATOM 0 HD11 ILE A 103 -6.872 8.511 0.026 1.00 1.33 H new ATOM 0 HD12 ILE A 103 -5.490 7.492 0.495 1.00 1.33 H new ATOM 0 HD13 ILE A 103 -7.000 6.739 -0.069 1.00 1.33 H new ATOM 1586 N PRO A 104 -5.991 2.947 1.987 1.00 0.39 N ATOM 1587 CA PRO A 104 -5.444 1.727 2.579 1.00 0.37 C ATOM 1588 C PRO A 104 -4.562 2.039 3.781 1.00 0.37 C ATOM 1589 O PRO A 104 -3.791 2.994 3.760 1.00 0.45 O ATOM 1590 CB PRO A 104 -4.612 1.104 1.450 1.00 0.41 C ATOM 1591 CG PRO A 104 -5.038 1.807 0.204 1.00 0.53 C ATOM 1592 CD PRO A 104 -5.482 3.175 0.628 1.00 0.44 C ATOM 0 HA PRO A 104 -6.227 1.064 2.947 1.00 0.37 H new ATOM 0 HB2 PRO A 104 -3.545 1.237 1.630 1.00 0.41 H new ATOM 0 HB3 PRO A 104 -4.792 0.031 1.376 1.00 0.41 H new ATOM 0 HG2 PRO A 104 -4.216 1.868 -0.509 1.00 0.53 H new ATOM 0 HG3 PRO A 104 -5.848 1.270 -0.289 1.00 0.53 H new ATOM 0 HD2 PRO A 104 -4.658 3.888 0.619 1.00 0.44 H new ATOM 0 HD3 PRO A 104 -6.254 3.572 -0.031 1.00 0.44 H new ATOM 1600 N SER A 105 -4.675 1.229 4.823 1.00 0.32 N ATOM 1601 CA SER A 105 -3.967 1.496 6.059 1.00 0.34 C ATOM 1602 C SER A 105 -3.723 0.207 6.829 1.00 0.34 C ATOM 1603 O SER A 105 -4.316 -0.828 6.505 1.00 0.33 O ATOM 1604 CB SER A 105 -4.763 2.484 6.916 1.00 0.43 C ATOM 1605 OG SER A 105 -6.092 2.022 7.122 1.00 1.42 O ATOM 0 H SER A 105 -5.249 0.386 4.835 1.00 0.32 H new ATOM 0 HA SER A 105 -3.000 1.937 5.816 1.00 0.34 H new ATOM 0 HB2 SER A 105 -4.268 2.619 7.878 1.00 0.43 H new ATOM 0 HB3 SER A 105 -4.784 3.459 6.429 1.00 0.43 H new ATOM 0 HG SER A 105 -6.400 1.545 6.323 1.00 1.42 H new ATOM 1611 N GLN A 106 -2.859 0.271 7.836 1.00 0.39 N ATOM 1612 CA GLN A 106 -2.546 -0.885 8.673 1.00 0.43 C ATOM 1613 C GLN A 106 -3.809 -1.451 9.322 1.00 0.45 C ATOM 1614 O GLN A 106 -3.921 -2.655 9.545 1.00 0.50 O ATOM 1615 CB GLN A 106 -1.539 -0.503 9.756 1.00 0.52 C ATOM 1616 CG GLN A 106 -0.264 0.120 9.222 1.00 0.68 C ATOM 1617 CD GLN A 106 0.645 0.591 10.336 1.00 0.96 C ATOM 1618 OE1 GLN A 106 1.513 -0.146 10.804 1.00 1.66 O ATOM 1619 NE2 GLN A 106 0.442 1.818 10.780 1.00 1.42 N ATOM 0 H GLN A 106 -2.357 1.120 8.096 1.00 0.39 H new ATOM 0 HA GLN A 106 -2.110 -1.652 8.032 1.00 0.43 H new ATOM 0 HB2 GLN A 106 -2.011 0.196 10.446 1.00 0.52 H new ATOM 0 HB3 GLN A 106 -1.283 -1.394 10.330 1.00 0.52 H new ATOM 0 HG2 GLN A 106 0.264 -0.607 8.606 1.00 0.68 H new ATOM 0 HG3 GLN A 106 -0.514 0.963 8.577 1.00 0.68 H new ATOM 0 HE21 GLN A 106 -0.288 2.396 10.364 1.00 1.42 H new ATOM 0 HE22 GLN A 106 1.015 2.187 11.538 1.00 1.42 H new ATOM 1628 N GLU A 107 -4.765 -0.579 9.613 1.00 0.46 N ATOM 1629 CA GLU A 107 -6.032 -1.004 10.193 1.00 0.51 C ATOM 1630 C GLU A 107 -6.778 -1.953 9.260 1.00 0.42 C ATOM 1631 O GLU A 107 -7.491 -2.836 9.710 1.00 0.49 O ATOM 1632 CB GLU A 107 -6.907 0.204 10.520 1.00 0.59 C ATOM 1633 CG GLU A 107 -6.397 1.014 11.696 1.00 1.41 C ATOM 1634 CD GLU A 107 -6.221 0.170 12.942 1.00 2.16 C ATOM 1635 OE1 GLU A 107 -7.234 -0.333 13.471 1.00 2.63 O ATOM 1636 OE2 GLU A 107 -5.068 0.010 13.396 1.00 2.82 O ATOM 0 H GLU A 107 -4.687 0.426 9.457 1.00 0.46 H new ATOM 0 HA GLU A 107 -5.809 -1.539 11.116 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -6.967 0.848 9.643 1.00 0.59 H new ATOM 0 HB3 GLU A 107 -7.920 -0.137 10.735 1.00 0.59 H new ATOM 0 HG2 GLU A 107 -5.444 1.472 11.433 1.00 1.41 H new ATOM 0 HG3 GLU A 107 -7.094 1.826 11.905 1.00 1.41 H new ATOM 1643 N HIS A 108 -6.592 -1.781 7.958 1.00 0.34 N ATOM 1644 CA HIS A 108 -7.265 -2.617 6.971 1.00 0.37 C ATOM 1645 C HIS A 108 -6.664 -4.019 6.926 1.00 0.46 C ATOM 1646 O HIS A 108 -7.235 -4.926 6.328 1.00 0.53 O ATOM 1647 CB HIS A 108 -7.221 -1.959 5.591 1.00 0.38 C ATOM 1648 CG HIS A 108 -8.202 -0.838 5.442 1.00 0.40 C ATOM 1649 ND1 HIS A 108 -7.869 0.492 5.599 1.00 0.52 N ATOM 1650 CD2 HIS A 108 -9.519 -0.858 5.134 1.00 0.52 C ATOM 1651 CE1 HIS A 108 -8.937 1.236 5.391 1.00 0.52 C ATOM 1652 NE2 HIS A 108 -9.954 0.443 5.108 1.00 0.52 N ATOM 0 H HIS A 108 -5.980 -1.069 7.560 1.00 0.34 H new ATOM 0 HA HIS A 108 -8.308 -2.717 7.272 1.00 0.37 H new ATOM 0 HB2 HIS A 108 -6.215 -1.580 5.408 1.00 0.38 H new ATOM 0 HB3 HIS A 108 -7.421 -2.713 4.829 1.00 0.38 H new ATOM 0 HD2 HIS A 108 -10.118 -1.736 4.944 1.00 0.52 H new ATOM 0 HE1 HIS A 108 -8.974 2.314 5.443 1.00 0.52 H new ATOM 0 HE2 HIS A 108 -10.906 0.747 4.904 1.00 0.52 H new ATOM 1661 N LEU A 109 -5.496 -4.178 7.537 1.00 0.52 N ATOM 1662 CA LEU A 109 -4.838 -5.482 7.611 1.00 0.70 C ATOM 1663 C LEU A 109 -5.605 -6.438 8.529 1.00 0.79 C ATOM 1664 O LEU A 109 -5.505 -7.659 8.394 1.00 1.24 O ATOM 1665 CB LEU A 109 -3.412 -5.322 8.137 1.00 0.96 C ATOM 1666 CG LEU A 109 -2.529 -4.353 7.356 1.00 0.44 C ATOM 1667 CD1 LEU A 109 -1.198 -4.183 8.059 1.00 0.84 C ATOM 1668 CD2 LEU A 109 -2.319 -4.848 5.939 1.00 0.67 C ATOM 0 H LEU A 109 -4.983 -3.421 7.989 1.00 0.52 H new ATOM 0 HA LEU A 109 -4.818 -5.901 6.605 1.00 0.70 H new ATOM 0 HB2 LEU A 109 -3.461 -4.987 9.173 1.00 0.96 H new ATOM 0 HB3 LEU A 109 -2.933 -6.301 8.141 1.00 0.96 H new ATOM 0 HG LEU A 109 -3.029 -3.385 7.309 1.00 0.44 H new ATOM 0 HD11 LEU A 109 -0.574 -3.490 7.495 1.00 0.84 H new ATOM 0 HD12 LEU A 109 -1.364 -3.788 9.061 1.00 0.84 H new ATOM 0 HD13 LEU A 109 -0.697 -5.149 8.128 1.00 0.84 H new ATOM 0 HD21 LEU A 109 -1.687 -4.144 5.398 1.00 0.67 H new ATOM 0 HD22 LEU A 109 -1.836 -5.825 5.963 1.00 0.67 H new ATOM 0 HD23 LEU A 109 -3.282 -4.931 5.436 1.00 0.67 H new ATOM 1680 N ASN A 110 -6.354 -5.879 9.475 1.00 1.37 N ATOM 1681 CA ASN A 110 -7.091 -6.689 10.446 1.00 1.67 C ATOM 1682 C ASN A 110 -8.548 -6.254 10.548 1.00 1.44 C ATOM 1683 O ASN A 110 -9.381 -6.972 11.106 1.00 1.77 O ATOM 1684 CB ASN A 110 -6.438 -6.603 11.830 1.00 2.17 C ATOM 1685 CG ASN A 110 -6.370 -5.183 12.373 1.00 2.95 C ATOM 1686 OD1 ASN A 110 -7.314 -4.691 12.991 1.00 3.70 O ATOM 1687 ND2 ASN A 110 -5.245 -4.516 12.153 1.00 3.35 N ATOM 0 H ASN A 110 -6.468 -4.872 9.592 1.00 1.37 H new ATOM 0 HA ASN A 110 -7.061 -7.720 10.093 1.00 1.67 H new ATOM 0 HB2 ASN A 110 -6.998 -7.226 12.528 1.00 2.17 H new ATOM 0 HB3 ASN A 110 -5.429 -7.013 11.775 1.00 2.17 H new ATOM 0 HD21 ASN A 110 -5.141 -3.563 12.500 1.00 3.35 H new ATOM 0 HD22 ASN A 110 -4.484 -4.956 11.637 1.00 3.35 H new ATOM 1694 N GLY A 111 -8.848 -5.081 10.022 1.00 1.12 N ATOM 1695 CA GLY A 111 -10.190 -4.553 10.105 1.00 1.12 C ATOM 1696 C GLY A 111 -10.992 -4.815 8.850 1.00 0.87 C ATOM 1697 O GLY A 111 -10.504 -5.460 7.922 1.00 0.93 O ATOM 0 H GLY A 111 -8.182 -4.481 9.536 1.00 1.12 H new ATOM 0 HA2 GLY A 111 -10.701 -4.999 10.959 1.00 1.12 H new ATOM 0 HA3 GLY A 111 -10.144 -3.479 10.286 1.00 1.12 H new ATOM 1701 N PRO A 112 -12.230 -4.314 8.802 1.00 0.86 N ATOM 1702 CA PRO A 112 -13.140 -4.537 7.678 1.00 0.93 C ATOM 1703 C PRO A 112 -12.715 -3.796 6.416 1.00 0.89 C ATOM 1704 O PRO A 112 -12.504 -2.581 6.435 1.00 1.31 O ATOM 1705 CB PRO A 112 -14.487 -3.987 8.175 1.00 1.25 C ATOM 1706 CG PRO A 112 -14.315 -3.754 9.638 1.00 1.30 C ATOM 1707 CD PRO A 112 -12.853 -3.494 9.845 1.00 1.10 C ATOM 0 HA PRO A 112 -13.166 -5.591 7.400 1.00 0.93 H new ATOM 0 HB2 PRO A 112 -14.746 -3.062 7.659 1.00 1.25 H new ATOM 0 HB3 PRO A 112 -15.293 -4.695 7.984 1.00 1.25 H new ATOM 0 HG2 PRO A 112 -14.913 -2.906 9.971 1.00 1.30 H new ATOM 0 HG3 PRO A 112 -14.643 -4.620 10.212 1.00 1.30 H new ATOM 0 HD2 PRO A 112 -12.609 -2.438 9.730 1.00 1.10 H new ATOM 0 HD3 PRO A 112 -12.526 -3.790 10.842 1.00 1.10 H new ATOM 1715 N LEU A 113 -12.551 -4.541 5.334 1.00 0.62 N ATOM 1716 CA LEU A 113 -12.374 -3.965 4.022 1.00 0.58 C ATOM 1717 C LEU A 113 -13.647 -3.235 3.601 1.00 0.69 C ATOM 1718 O LEU A 113 -14.753 -3.641 3.971 1.00 0.90 O ATOM 1719 CB LEU A 113 -12.047 -5.080 3.030 1.00 0.58 C ATOM 1720 CG LEU A 113 -10.679 -5.750 3.204 1.00 0.57 C ATOM 1721 CD1 LEU A 113 -9.559 -4.734 3.048 1.00 1.11 C ATOM 1722 CD2 LEU A 113 -10.552 -6.486 4.533 1.00 1.05 C ATOM 0 H LEU A 113 -12.538 -5.561 5.347 1.00 0.62 H new ATOM 0 HA LEU A 113 -11.554 -3.247 4.040 1.00 0.58 H new ATOM 0 HB2 LEU A 113 -12.818 -5.847 3.107 1.00 0.58 H new ATOM 0 HB3 LEU A 113 -12.104 -4.671 2.021 1.00 0.58 H new ATOM 0 HG LEU A 113 -10.592 -6.498 2.416 1.00 0.57 H new ATOM 0 HD11 LEU A 113 -8.597 -5.231 3.175 1.00 1.11 H new ATOM 0 HD12 LEU A 113 -9.608 -4.288 2.055 1.00 1.11 H new ATOM 0 HD13 LEU A 113 -9.667 -3.954 3.802 1.00 1.11 H new ATOM 0 HD21 LEU A 113 -9.564 -6.942 4.604 1.00 1.05 H new ATOM 0 HD22 LEU A 113 -10.686 -5.781 5.354 1.00 1.05 H new ATOM 0 HD23 LEU A 113 -11.315 -7.262 4.593 1.00 1.05 H new ATOM 1734 N PRO A 114 -13.507 -2.138 2.841 1.00 0.68 N ATOM 1735 CA PRO A 114 -14.645 -1.325 2.404 1.00 0.83 C ATOM 1736 C PRO A 114 -15.604 -2.100 1.508 1.00 0.86 C ATOM 1737 O PRO A 114 -15.184 -2.937 0.709 1.00 1.15 O ATOM 1738 CB PRO A 114 -14.001 -0.180 1.622 1.00 1.02 C ATOM 1739 CG PRO A 114 -12.652 -0.683 1.237 1.00 0.90 C ATOM 1740 CD PRO A 114 -12.229 -1.610 2.339 1.00 0.70 C ATOM 0 HA PRO A 114 -15.246 -0.993 3.251 1.00 0.83 H new ATOM 0 HB2 PRO A 114 -14.591 0.078 0.743 1.00 1.02 H new ATOM 0 HB3 PRO A 114 -13.927 0.721 2.231 1.00 1.02 H new ATOM 0 HG2 PRO A 114 -12.688 -1.204 0.280 1.00 0.90 H new ATOM 0 HG3 PRO A 114 -11.945 0.140 1.126 1.00 0.90 H new ATOM 0 HD2 PRO A 114 -11.581 -2.405 1.970 1.00 0.70 H new ATOM 0 HD3 PRO A 114 -11.676 -1.084 3.118 1.00 0.70 H new ATOM 1748 N VAL A 115 -16.888 -1.811 1.643 1.00 1.26 N ATOM 1749 CA VAL A 115 -17.913 -2.513 0.892 1.00 1.45 C ATOM 1750 C VAL A 115 -19.201 -1.688 0.851 1.00 1.91 C ATOM 1751 O VAL A 115 -19.654 -1.176 1.878 1.00 2.44 O ATOM 1752 CB VAL A 115 -18.182 -3.913 1.502 1.00 1.96 C ATOM 1753 CG1 VAL A 115 -18.492 -3.810 2.988 1.00 2.60 C ATOM 1754 CG2 VAL A 115 -19.306 -4.625 0.765 1.00 2.98 C ATOM 0 H VAL A 115 -17.246 -1.090 2.270 1.00 1.26 H new ATOM 0 HA VAL A 115 -17.556 -2.651 -0.129 1.00 1.45 H new ATOM 0 HB VAL A 115 -17.275 -4.506 1.386 1.00 1.96 H new ATOM 0 HG11 VAL A 115 -18.677 -4.806 3.391 1.00 2.60 H new ATOM 0 HG12 VAL A 115 -17.645 -3.360 3.506 1.00 2.60 H new ATOM 0 HG13 VAL A 115 -19.377 -3.190 3.133 1.00 2.60 H new ATOM 0 HG21 VAL A 115 -19.473 -5.604 1.214 1.00 2.98 H new ATOM 0 HG22 VAL A 115 -20.219 -4.033 0.835 1.00 2.98 H new ATOM 0 HG23 VAL A 115 -19.033 -4.748 -0.283 1.00 2.98 H new ATOM 1764 N PRO A 116 -19.775 -1.502 -0.349 1.00 2.53 N ATOM 1765 CA PRO A 116 -21.041 -0.785 -0.521 1.00 3.48 C ATOM 1766 C PRO A 116 -22.207 -1.539 0.108 1.00 3.68 C ATOM 1767 O PRO A 116 -22.573 -2.624 -0.346 1.00 3.90 O ATOM 1768 CB PRO A 116 -21.221 -0.700 -2.042 1.00 4.23 C ATOM 1769 CG PRO A 116 -19.886 -1.033 -2.619 1.00 4.01 C ATOM 1770 CD PRO A 116 -19.228 -1.956 -1.635 1.00 2.94 C ATOM 0 HA PRO A 116 -21.022 0.191 -0.036 1.00 3.48 H new ATOM 0 HB2 PRO A 116 -21.983 -1.399 -2.387 1.00 4.23 H new ATOM 0 HB3 PRO A 116 -21.542 0.297 -2.344 1.00 4.23 H new ATOM 0 HG2 PRO A 116 -19.990 -1.511 -3.593 1.00 4.01 H new ATOM 0 HG3 PRO A 116 -19.290 -0.133 -2.768 1.00 4.01 H new ATOM 0 HD2 PRO A 116 -19.473 -3.000 -1.833 1.00 2.94 H new ATOM 0 HD3 PRO A 116 -18.142 -1.872 -1.665 1.00 2.94 H new ATOM 1778 N PHE A 117 -22.773 -0.969 1.162 1.00 4.03 N ATOM 1779 CA PHE A 117 -23.885 -1.596 1.861 1.00 4.72 C ATOM 1780 C PHE A 117 -25.198 -1.335 1.135 1.00 5.62 C ATOM 1781 O PHE A 117 -26.117 -2.154 1.179 1.00 6.22 O ATOM 1782 CB PHE A 117 -23.980 -1.084 3.302 1.00 5.32 C ATOM 1783 CG PHE A 117 -22.777 -1.408 4.141 1.00 5.77 C ATOM 1784 CD1 PHE A 117 -22.507 -2.714 4.513 1.00 6.08 C ATOM 1785 CD2 PHE A 117 -21.914 -0.405 4.551 1.00 6.27 C ATOM 1786 CE1 PHE A 117 -21.398 -3.015 5.280 1.00 6.87 C ATOM 1787 CE2 PHE A 117 -20.802 -0.700 5.318 1.00 7.04 C ATOM 1788 CZ PHE A 117 -20.557 -2.008 5.702 1.00 7.33 C ATOM 0 H PHE A 117 -22.480 -0.073 1.552 1.00 4.03 H new ATOM 0 HA PHE A 117 -23.701 -2.670 1.880 1.00 4.72 H new ATOM 0 HB2 PHE A 117 -24.119 -0.003 3.285 1.00 5.32 H new ATOM 0 HB3 PHE A 117 -24.865 -1.512 3.772 1.00 5.32 H new ATOM 0 HD1 PHE A 117 -23.171 -3.506 4.200 1.00 6.08 H new ATOM 0 HD2 PHE A 117 -22.112 0.618 4.269 1.00 6.27 H new ATOM 0 HE1 PHE A 117 -21.190 -4.040 5.549 1.00 6.87 H new ATOM 0 HE2 PHE A 117 -20.126 0.088 5.617 1.00 7.04 H new ATOM 0 HZ PHE A 117 -19.709 -2.238 6.330 1.00 7.33 H new ATOM 1798 N THR A 118 -25.282 -0.191 0.476 1.00 6.05 N ATOM 1799 CA THR A 118 -26.484 0.183 -0.253 1.00 7.13 C ATOM 1800 C THR A 118 -26.478 -0.443 -1.646 1.00 7.53 C ATOM 1801 O THR A 118 -25.416 -0.718 -2.210 1.00 8.01 O ATOM 1802 CB THR A 118 -26.620 1.721 -0.358 1.00 8.07 C ATOM 1803 OG1 THR A 118 -27.859 2.074 -0.994 1.00 8.43 O ATOM 1804 CG2 THR A 118 -25.455 2.326 -1.134 1.00 8.78 C ATOM 0 H THR A 118 -24.530 0.497 0.431 1.00 6.05 H new ATOM 0 HA THR A 118 -27.343 -0.195 0.301 1.00 7.13 H new ATOM 0 HB THR A 118 -26.608 2.124 0.655 1.00 8.07 H new ATOM 0 HG1 THR A 118 -27.931 3.050 -1.051 1.00 8.43 H new ATOM 0 HG21 THR A 118 -25.578 3.407 -1.191 1.00 8.78 H new ATOM 0 HG22 THR A 118 -24.519 2.094 -0.625 1.00 8.78 H new ATOM 0 HG23 THR A 118 -25.433 1.910 -2.141 1.00 8.78 H new ATOM 1812 N ASN A 119 -27.662 -0.680 -2.192 1.00 7.62 N ATOM 1813 CA ASN A 119 -27.790 -1.296 -3.504 1.00 8.32 C ATOM 1814 C ASN A 119 -28.581 -0.379 -4.433 1.00 9.00 C ATOM 1815 O ASN A 119 -29.779 -0.162 -4.238 1.00 9.23 O ATOM 1816 CB ASN A 119 -28.471 -2.665 -3.383 1.00 8.46 C ATOM 1817 CG ASN A 119 -28.350 -3.513 -4.641 1.00 8.93 C ATOM 1818 OD1 ASN A 119 -28.269 -3.001 -5.757 1.00 9.34 O ATOM 1819 ND2 ASN A 119 -28.330 -4.825 -4.464 1.00 9.14 N ATOM 0 H ASN A 119 -28.550 -0.454 -1.745 1.00 7.62 H new ATOM 0 HA ASN A 119 -26.796 -1.446 -3.927 1.00 8.32 H new ATOM 0 HB2 ASN A 119 -28.034 -3.207 -2.545 1.00 8.46 H new ATOM 0 HB3 ASN A 119 -29.526 -2.519 -3.152 1.00 8.46 H new ATOM 0 HD21 ASN A 119 -28.245 -5.447 -5.268 1.00 9.14 H new ATOM 0 HD22 ASN A 119 -28.399 -5.214 -3.524 1.00 9.14 H new ATOM 1826 N GLY A 120 -27.901 0.166 -5.432 1.00 9.55 N ATOM 1827 CA GLY A 120 -28.528 1.111 -6.333 1.00 10.42 C ATOM 1828 C GLY A 120 -29.203 0.436 -7.510 1.00 11.21 C ATOM 1829 O GLY A 120 -29.083 -0.776 -7.698 1.00 11.55 O ATOM 0 H GLY A 120 -26.921 -0.031 -5.635 1.00 9.55 H new ATOM 0 HA2 GLY A 120 -29.265 1.697 -5.784 1.00 10.42 H new ATOM 0 HA3 GLY A 120 -27.776 1.809 -6.702 1.00 10.42 H new ATOM 1833 N GLU A 121 -29.920 1.220 -8.301 1.00 11.70 N ATOM 1834 CA GLU A 121 -30.607 0.698 -9.473 1.00 12.64 C ATOM 1835 C GLU A 121 -29.684 0.740 -10.686 1.00 13.44 C ATOM 1836 O GLU A 121 -28.693 1.476 -10.699 1.00 13.92 O ATOM 1837 CB GLU A 121 -31.882 1.501 -9.754 1.00 12.94 C ATOM 1838 CG GLU A 121 -31.630 2.964 -10.076 1.00 12.93 C ATOM 1839 CD GLU A 121 -32.905 3.720 -10.382 1.00 13.41 C ATOM 1840 OE1 GLU A 121 -33.531 3.443 -11.424 1.00 13.68 O ATOM 1841 OE2 GLU A 121 -33.294 4.592 -9.580 1.00 13.66 O ATOM 0 H GLU A 121 -30.041 2.222 -8.152 1.00 11.70 H new ATOM 0 HA GLU A 121 -30.886 -0.337 -9.276 1.00 12.64 H new ATOM 0 HB2 GLU A 121 -32.412 1.042 -10.588 1.00 12.94 H new ATOM 0 HB3 GLU A 121 -32.538 1.438 -8.886 1.00 12.94 H new ATOM 0 HG2 GLU A 121 -31.125 3.436 -9.233 1.00 12.93 H new ATOM 0 HG3 GLU A 121 -30.957 3.034 -10.930 1.00 12.93 H new ATOM 1848 N ILE A 122 -30.006 -0.050 -11.697 1.00 13.73 N ATOM 1849 CA ILE A 122 -29.209 -0.093 -12.914 1.00 14.64 C ATOM 1850 C ILE A 122 -30.084 0.149 -14.134 1.00 15.74 C ATOM 1851 O ILE A 122 -31.305 0.008 -14.069 1.00 16.21 O ATOM 1852 CB ILE A 122 -28.444 -1.432 -13.095 1.00 14.54 C ATOM 1853 CG1 ILE A 122 -29.397 -2.642 -13.101 1.00 14.04 C ATOM 1854 CG2 ILE A 122 -27.378 -1.588 -12.018 1.00 14.69 C ATOM 1855 CD1 ILE A 122 -29.851 -3.099 -11.727 1.00 14.09 C ATOM 0 H ILE A 122 -30.815 -0.671 -11.700 1.00 13.73 H new ATOM 0 HA ILE A 122 -28.467 0.700 -12.817 1.00 14.64 H new ATOM 0 HB ILE A 122 -27.955 -1.402 -14.069 1.00 14.54 H new ATOM 0 HG12 ILE A 122 -30.276 -2.392 -13.694 1.00 14.04 H new ATOM 0 HG13 ILE A 122 -28.902 -3.475 -13.601 1.00 14.04 H new ATOM 0 HG21 ILE A 122 -26.852 -2.532 -12.161 1.00 14.69 H new ATOM 0 HG22 ILE A 122 -26.668 -0.763 -12.086 1.00 14.69 H new ATOM 0 HG23 ILE A 122 -27.850 -1.580 -11.035 1.00 14.69 H new ATOM 0 HD11 ILE A 122 -30.518 -3.955 -11.830 1.00 14.09 H new ATOM 0 HD12 ILE A 122 -28.983 -3.385 -11.134 1.00 14.09 H new ATOM 0 HD13 ILE A 122 -30.379 -2.286 -11.229 1.00 14.09 H new ATOM 1867 N GLN A 123 -29.455 0.513 -15.240 1.00 16.25 N ATOM 1868 CA GLN A 123 -30.169 0.771 -16.481 1.00 17.37 C ATOM 1869 C GLN A 123 -29.431 0.131 -17.645 1.00 18.25 C ATOM 1870 O GLN A 123 -28.228 -0.127 -17.550 1.00 18.70 O ATOM 1871 CB GLN A 123 -30.308 2.278 -16.724 1.00 17.69 C ATOM 1872 CG GLN A 123 -28.974 2.992 -16.892 1.00 18.12 C ATOM 1873 CD GLN A 123 -29.126 4.454 -17.264 1.00 18.49 C ATOM 1874 OE1 GLN A 123 -30.095 4.851 -17.911 1.00 18.82 O ATOM 1875 NE2 GLN A 123 -28.162 5.264 -16.862 1.00 18.57 N ATOM 0 H GLN A 123 -28.445 0.637 -15.304 1.00 16.25 H new ATOM 0 HA GLN A 123 -31.166 0.338 -16.401 1.00 17.37 H new ATOM 0 HB2 GLN A 123 -30.912 2.440 -17.616 1.00 17.69 H new ATOM 0 HB3 GLN A 123 -30.847 2.724 -15.889 1.00 17.69 H new ATOM 0 HG2 GLN A 123 -28.408 2.916 -15.963 1.00 18.12 H new ATOM 0 HG3 GLN A 123 -28.392 2.486 -17.662 1.00 18.12 H new ATOM 0 HE21 GLN A 123 -27.376 4.895 -16.327 1.00 18.57 H new ATOM 0 HE22 GLN A 123 -28.205 6.258 -17.086 1.00 18.57 H new ATOM 1884 N LYS A 124 -30.157 -0.123 -18.731 1.00 18.59 N ATOM 1885 CA LYS A 124 -29.580 -0.693 -19.946 1.00 19.51 C ATOM 1886 C LYS A 124 -28.869 -2.006 -19.627 1.00 20.23 C ATOM 1887 O LYS A 124 -27.650 -2.121 -19.748 1.00 20.83 O ATOM 1888 CB LYS A 124 -28.615 0.302 -20.601 1.00 19.61 C ATOM 1889 CG LYS A 124 -28.211 -0.072 -22.020 1.00 19.54 C ATOM 1890 CD LYS A 124 -27.238 0.939 -22.601 1.00 19.77 C ATOM 1891 CE LYS A 124 -26.943 0.653 -24.063 1.00 20.14 C ATOM 1892 NZ LYS A 124 -26.349 -0.695 -24.266 1.00 20.17 N ATOM 0 H LYS A 124 -31.159 0.060 -18.794 1.00 18.59 H new ATOM 0 HA LYS A 124 -30.385 -0.899 -20.651 1.00 19.51 H new ATOM 0 HB2 LYS A 124 -29.079 1.288 -20.614 1.00 19.61 H new ATOM 0 HB3 LYS A 124 -27.718 0.380 -19.987 1.00 19.61 H new ATOM 0 HG2 LYS A 124 -27.754 -1.062 -22.022 1.00 19.54 H new ATOM 0 HG3 LYS A 124 -29.099 -0.129 -22.650 1.00 19.54 H new ATOM 0 HD2 LYS A 124 -27.652 1.942 -22.502 1.00 19.77 H new ATOM 0 HD3 LYS A 124 -26.309 0.920 -22.031 1.00 19.77 H new ATOM 0 HE2 LYS A 124 -27.865 0.732 -24.639 1.00 20.14 H new ATOM 0 HE3 LYS A 124 -26.260 1.410 -24.448 1.00 20.14 H new ATOM 0 HZ1 LYS A 124 -26.010 -0.781 -25.245 1.00 20.17 H new ATOM 0 HZ2 LYS A 124 -25.552 -0.825 -23.611 1.00 20.17 H new ATOM 0 HZ3 LYS A 124 -27.069 -1.423 -24.084 1.00 20.17 H new ATOM 1906 N GLU A 125 -29.643 -2.989 -19.201 1.00 20.28 N ATOM 1907 CA GLU A 125 -29.099 -4.288 -18.828 1.00 21.04 C ATOM 1908 C GLU A 125 -28.713 -5.070 -20.076 1.00 21.94 C ATOM 1909 O GLU A 125 -27.778 -5.876 -20.054 1.00 22.50 O ATOM 1910 CB GLU A 125 -30.113 -5.111 -18.019 1.00 20.98 C ATOM 1911 CG GLU A 125 -30.910 -4.322 -16.988 1.00 20.93 C ATOM 1912 CD GLU A 125 -31.998 -3.475 -17.619 1.00 21.01 C ATOM 1913 OE1 GLU A 125 -32.824 -4.023 -18.374 1.00 20.79 O ATOM 1914 OE2 GLU A 125 -32.051 -2.260 -17.334 1.00 21.38 O ATOM 0 H GLU A 125 -30.656 -2.914 -19.104 1.00 20.28 H new ATOM 0 HA GLU A 125 -28.220 -4.110 -18.209 1.00 21.04 H new ATOM 0 HB2 GLU A 125 -30.810 -5.582 -18.712 1.00 20.98 H new ATOM 0 HB3 GLU A 125 -29.581 -5.913 -17.508 1.00 20.98 H new ATOM 0 HG2 GLU A 125 -31.360 -5.013 -16.275 1.00 20.93 H new ATOM 0 HG3 GLU A 125 -30.234 -3.679 -16.425 1.00 20.93 H new ATOM 1921 N ASN A 126 -29.445 -4.803 -21.159 1.00 22.18 N ATOM 1922 CA ASN A 126 -29.267 -5.475 -22.451 1.00 23.12 C ATOM 1923 C ASN A 126 -29.655 -6.947 -22.346 1.00 23.54 C ATOM 1924 O ASN A 126 -30.764 -7.337 -22.709 1.00 23.81 O ATOM 1925 CB ASN A 126 -27.825 -5.345 -22.980 1.00 23.38 C ATOM 1926 CG ASN A 126 -27.323 -3.910 -23.020 1.00 23.74 C ATOM 1927 OD1 ASN A 126 -27.601 -3.162 -23.958 1.00 23.88 O ATOM 1928 ND2 ASN A 126 -26.551 -3.526 -22.013 1.00 23.99 N ATOM 0 H ASN A 126 -30.189 -4.105 -21.165 1.00 22.18 H new ATOM 0 HA ASN A 126 -29.925 -4.978 -23.164 1.00 23.12 H new ATOM 0 HB2 ASN A 126 -27.160 -5.937 -22.351 1.00 23.38 H new ATOM 0 HB3 ASN A 126 -27.775 -5.768 -23.983 1.00 23.38 H new ATOM 0 HD21 ASN A 126 -26.165 -2.582 -21.998 1.00 23.99 H new ATOM 0 HD22 ASN A 126 -26.343 -4.175 -21.254 1.00 23.99 H new ATOM 1935 N SER A 127 -28.736 -7.748 -21.830 1.00 23.70 N ATOM 1936 CA SER A 127 -28.961 -9.166 -21.597 1.00 24.19 C ATOM 1937 C SER A 127 -27.971 -9.661 -20.547 1.00 24.67 C ATOM 1938 O SER A 127 -26.898 -10.163 -20.878 1.00 25.00 O ATOM 1939 CB SER A 127 -28.807 -9.970 -22.896 1.00 24.36 C ATOM 1940 OG SER A 127 -29.764 -9.568 -23.864 1.00 24.58 O ATOM 0 H SER A 127 -27.806 -7.430 -21.559 1.00 23.70 H new ATOM 0 HA SER A 127 -29.980 -9.309 -21.238 1.00 24.19 H new ATOM 0 HB2 SER A 127 -27.802 -9.832 -23.295 1.00 24.36 H new ATOM 0 HB3 SER A 127 -28.923 -11.033 -22.685 1.00 24.36 H new ATOM 0 HG SER A 127 -30.310 -8.839 -23.501 1.00 24.58 H new ATOM 1946 N ARG A 128 -28.322 -9.485 -19.282 1.00 24.79 N ATOM 1947 CA ARG A 128 -27.430 -9.837 -18.190 1.00 25.33 C ATOM 1948 C ARG A 128 -28.206 -10.504 -17.062 1.00 25.41 C ATOM 1949 O ARG A 128 -29.085 -9.838 -16.476 1.00 25.41 O ATOM 1950 CB ARG A 128 -26.714 -8.590 -17.670 1.00 25.71 C ATOM 1951 CG ARG A 128 -25.681 -8.885 -16.598 1.00 25.88 C ATOM 1952 CD ARG A 128 -25.020 -7.613 -16.095 1.00 26.27 C ATOM 1953 NE ARG A 128 -23.958 -7.898 -15.136 1.00 26.63 N ATOM 1954 CZ ARG A 128 -22.948 -7.074 -14.879 1.00 27.12 C ATOM 1955 NH1 ARG A 128 -22.902 -5.882 -15.467 1.00 27.29 N ATOM 1956 NH2 ARG A 128 -21.996 -7.440 -14.028 1.00 27.52 N ATOM 1957 OXT ARG A 128 -27.924 -11.680 -16.758 1.00 25.55 O ATOM 0 H ARG A 128 -29.219 -9.100 -18.987 1.00 24.79 H new ATOM 0 HA ARG A 128 -26.686 -10.541 -18.564 1.00 25.33 H new ATOM 0 HB2 ARG A 128 -26.226 -8.087 -18.505 1.00 25.71 H new ATOM 0 HB3 ARG A 128 -27.454 -7.897 -17.269 1.00 25.71 H new ATOM 0 HG2 ARG A 128 -26.157 -9.402 -15.765 1.00 25.88 H new ATOM 0 HG3 ARG A 128 -24.922 -9.557 -16.998 1.00 25.88 H new ATOM 0 HD2 ARG A 128 -24.609 -7.059 -16.939 1.00 26.27 H new ATOM 0 HD3 ARG A 128 -25.769 -6.974 -15.628 1.00 26.27 H new ATOM 0 HE ARG A 128 -23.993 -8.784 -14.632 1.00 26.63 H new ATOM 0 HH11 ARG A 128 -23.641 -5.603 -16.113 1.00 27.29 H new ATOM 0 HH12 ARG A 128 -22.128 -5.247 -15.272 1.00 27.29 H new ATOM 0 HH21 ARG A 128 -22.041 -8.352 -13.573 1.00 27.52 H new ATOM 0 HH22 ARG A 128 -21.220 -6.809 -13.829 1.00 27.52 H new TER 1971 ARG A 128