USER MOD reduce.3.24.130724 H: found=0, std=0, add=1460, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1460 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 168 MET CE :methyl 161:sc= -1.69 (180deg=-2.85!) USER MOD Set 1.2: A 181 MET CE :methyl -142:sc= -1.2 (180deg=-2.44!) USER MOD Set 2.1: A 169 HIS : no HD1:sc= 0.0671 K(o=0.33,f=-8.2!) USER MOD Set 2.2: A 170 GLN : amide:sc= 0.261 X(o=0.33,f=-0.061) USER MOD Set 3.1: A 156 THR OG1 : rot -90:sc= 0.452 USER MOD Set 3.2: A 157 THR OG1 : rot 138:sc= 0.649 USER MOD Set 4.1: A 116 SER OG : rot 88:sc= 0.841 USER MOD Set 4.2: A 177 CYS SG : rot 6:sc= 0.717 USER MOD Set 5.1: A 54 ASN : amide:sc= -0.0179 K(o=-1.5,f=-2.6) USER MOD Set 5.2: A 57 GLN :FLIP amide:sc= -1.45 F(o=-2.5!,f=-1.5) USER MOD Set 6.1: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 83 LYS NZ :NH3+ -177:sc= -0.0693 (180deg=-0.102) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0978 (180deg=-0.506) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.122 (180deg=-0.0587) USER MOD Single : A 2 ASN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 4 THR OG1 : rot 60:sc= 0.349 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.122 F(o=-0.98,f=-0.12) USER MOD Single : A 10 GLN :FLIP amide:sc= -2.77 F(o=-8.6!,f=-2.8) USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= -1.92! (180deg=-3.93!) USER MOD Single : A 18 MET CE :methyl 165:sc= -0.526 (180deg=-1.14) USER MOD Single : A 22 GLN :FLIP amide:sc= -1.41 F(o=-2.5,f=-1.4) USER MOD Single : A 26 THR OG1 : rot -27:sc= 0.46! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.00403 (180deg=-0.15) USER MOD Single : A 38 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 52 SER OG : rot 12:sc= 0.65 USER MOD Single : A 53 GLN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 58 SER OG : rot 37:sc= 0.878 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 103:sc= 0.982 USER MOD Single : A 62 CYS SG : rot 180:sc= -2.02 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.8) USER MOD Single : A 77 ASN : amide:sc=-0.00229 K(o=-0.0023,f=-1.4) USER MOD Single : A 80 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-2.1) USER MOD Single : A 81 ASN : amide:sc= -0.0195 X(o=-0.02,f=-0.055) USER MOD Single : A 82 MET CE :methyl -132:sc= -0.204 (180deg=-0.875) USER MOD Single : A 88 MET CE :methyl 159:sc= -0.166 (180deg=-0.755) USER MOD Single : A 89 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.44) USER MOD Single : A 90 HIS : no HD1:sc= -0.173 K(o=-0.17,f=-1) USER MOD Single : A 93 GLN : amide:sc= 0.583 K(o=0.58,f=0) USER MOD Single : A 94 MET CE :methyl -153:sc= -0.297 (180deg=-1.23) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0.0224 (180deg=-0.0524) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0.27 (180deg=0.265) USER MOD Single : A 102 ASN : amide:sc=-0.000406 X(o=-0.00041,f=-0.012) USER MOD Single : A 103 ASN : amide:sc= 0.0519 X(o=0.052,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 164:sc= -0.0747 (180deg=-0.397) USER MOD Single : A 114 MET CE :methyl 155:sc= -1.15 (180deg=-4.16!) USER MOD Single : A 117 LYS NZ :NH3+ -141:sc= 0.266 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= -0.0164 (180deg=-0.146) USER MOD Single : A 119 CYS SG : rot 107:sc= -0.993 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 127 MET CE :methyl -145:sc= -0.823 (180deg=-3.63!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.7) USER MOD Single : A 137 CYS SG : rot 28:sc= 0.173 USER MOD Single : A 147 SER OG : rot 180:sc= -0.228 USER MOD Single : A 150 CYS SG : rot 51:sc= -2.18! USER MOD Single : A 154 THR OG1 : rot 71:sc= 0.568 USER MOD Single : A 160 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 163 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 LYS NZ :NH3+ -121:sc= 0.136 (180deg=-0.0102) USER MOD Single : A 172 GLN : amide:sc= -0.804 K(o=-0.8,f=-1.3) USER MOD Single : A 173 THR OG1 : rot -54:sc= 0.61 USER MOD Single : A 174 MET CE :methyl -169:sc= -0.0119 (180deg=-0.259) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 179 SER OG : rot -28:sc= 0.411 USER MOD Single : A 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 54.946 11.413 12.431 1.00 23.45 N ATOM 2 CA MET A 1 54.352 10.972 13.720 1.00 23.52 C ATOM 3 C MET A 1 53.042 10.227 13.490 1.00 22.98 C ATOM 4 O MET A 1 52.651 9.975 12.350 1.00 22.59 O ATOM 5 CB MET A 1 54.107 12.180 14.628 1.00 23.59 C ATOM 6 CG MET A 1 55.378 12.915 15.019 1.00 24.22 C ATOM 7 SD MET A 1 56.578 11.843 15.833 1.00 24.41 S ATOM 8 CE MET A 1 55.645 11.314 17.267 1.00 24.75 C ATOM 0 H1 MET A 1 55.925 11.068 12.364 1.00 23.45 H new ATOM 0 H2 MET A 1 54.388 11.028 11.642 1.00 23.45 H new ATOM 0 H3 MET A 1 54.941 12.452 12.384 1.00 23.45 H new ATOM 0 HA MET A 1 55.056 10.294 14.203 1.00 23.52 H new ATOM 0 HB2 MET A 1 53.437 12.875 14.122 1.00 23.59 H new ATOM 0 HB3 MET A 1 53.597 11.847 15.532 1.00 23.59 H new ATOM 0 HG2 MET A 1 55.831 13.349 14.128 1.00 24.22 H new ATOM 0 HG3 MET A 1 55.125 13.741 15.683 1.00 24.22 H new ATOM 0 HE1 MET A 1 56.321 10.871 17.998 1.00 24.75 H new ATOM 0 HE2 MET A 1 55.143 12.173 17.712 1.00 24.75 H new ATOM 0 HE3 MET A 1 54.902 10.576 16.966 1.00 24.75 H new ATOM 20 N ASN A 2 52.368 9.874 14.582 1.00 23.05 N ATOM 21 CA ASN A 2 51.105 9.158 14.503 1.00 22.69 C ATOM 22 C ASN A 2 50.068 9.776 15.438 1.00 21.83 C ATOM 23 O ASN A 2 50.275 9.844 16.651 1.00 21.22 O ATOM 24 CB ASN A 2 51.308 7.681 14.845 1.00 23.25 C ATOM 25 CG ASN A 2 50.007 6.902 14.842 1.00 23.07 C ATOM 26 OD1 ASN A 2 49.590 6.372 13.812 1.00 22.66 O ATOM 27 ND2 ASN A 2 49.359 6.827 15.999 1.00 23.44 N ATOM 0 H ASN A 2 52.679 10.074 15.532 1.00 23.05 H new ATOM 0 HA ASN A 2 50.735 9.237 13.481 1.00 22.69 H new ATOM 0 HB2 ASN A 2 51.996 7.236 14.126 1.00 23.25 H new ATOM 0 HB3 ASN A 2 51.775 7.599 15.827 1.00 23.25 H new ATOM 0 HD21 ASN A 2 48.479 6.315 16.058 1.00 23.44 H new ATOM 0 HD22 ASN A 2 49.741 7.282 16.828 1.00 23.44 H new ATOM 34 N GLY A 3 48.954 10.222 14.867 1.00 21.87 N ATOM 35 CA GLY A 3 47.902 10.828 15.662 1.00 21.20 C ATOM 36 C GLY A 3 46.544 10.731 14.992 1.00 20.67 C ATOM 37 O GLY A 3 46.413 11.002 13.800 1.00 20.74 O ATOM 0 H GLY A 3 48.761 10.174 13.867 1.00 21.87 H new ATOM 0 HA2 GLY A 3 47.860 10.341 16.636 1.00 21.20 H new ATOM 0 HA3 GLY A 3 48.143 11.876 15.840 1.00 21.20 H new ATOM 41 N THR A 4 45.533 10.342 15.763 1.00 20.24 N ATOM 42 CA THR A 4 44.179 10.207 15.238 1.00 19.79 C ATOM 43 C THR A 4 43.314 11.396 15.628 1.00 19.54 C ATOM 44 O THR A 4 42.368 11.264 16.406 1.00 19.89 O ATOM 45 CB THR A 4 43.510 8.910 15.730 1.00 20.10 C ATOM 46 OG1 THR A 4 43.497 8.877 17.162 1.00 20.09 O ATOM 47 CG2 THR A 4 44.239 7.688 15.196 1.00 20.45 C ATOM 0 H THR A 4 45.626 10.115 16.753 1.00 20.24 H new ATOM 0 HA THR A 4 44.266 10.170 14.152 1.00 19.79 H new ATOM 0 HB THR A 4 42.486 8.893 15.358 1.00 20.10 H new ATOM 0 HG1 THR A 4 42.997 9.648 17.502 1.00 20.09 H new ATOM 0 HG21 THR A 4 43.748 6.785 15.557 1.00 20.45 H new ATOM 0 HG22 THR A 4 44.220 7.700 14.106 1.00 20.45 H new ATOM 0 HG23 THR A 4 45.273 7.701 15.541 1.00 20.45 H new ATOM 55 N LEU A 5 43.647 12.560 15.083 1.00 19.03 N ATOM 56 CA LEU A 5 42.895 13.774 15.355 1.00 18.86 C ATOM 57 C LEU A 5 41.493 13.655 14.777 1.00 19.00 C ATOM 58 O LEU A 5 40.618 14.472 15.065 1.00 19.08 O ATOM 59 CB LEU A 5 43.601 14.984 14.747 1.00 18.40 C ATOM 60 CG LEU A 5 45.112 15.036 14.974 1.00 18.36 C ATOM 61 CD1 LEU A 5 45.800 15.675 13.780 1.00 18.24 C ATOM 62 CD2 LEU A 5 45.434 15.799 16.250 1.00 18.37 C ATOM 0 H LEU A 5 44.436 12.686 14.449 1.00 19.03 H new ATOM 0 HA LEU A 5 42.830 13.909 16.435 1.00 18.86 H new ATOM 0 HB2 LEU A 5 43.410 14.995 13.674 1.00 18.40 H new ATOM 0 HB3 LEU A 5 43.156 15.890 15.159 1.00 18.40 H new ATOM 0 HG LEU A 5 45.483 14.017 15.084 1.00 18.36 H new ATOM 0 HD11 LEU A 5 46.876 15.706 13.954 1.00 18.24 H new ATOM 0 HD12 LEU A 5 45.594 15.089 12.885 1.00 18.24 H new ATOM 0 HD13 LEU A 5 45.425 16.689 13.644 1.00 18.24 H new ATOM 0 HD21 LEU A 5 46.514 15.826 16.395 1.00 18.37 H new ATOM 0 HD22 LEU A 5 45.053 16.817 16.171 1.00 18.37 H new ATOM 0 HD23 LEU A 5 44.966 15.301 17.099 1.00 18.37 H new ATOM 74 N ASP A 6 41.304 12.625 13.954 1.00 19.17 N ATOM 75 CA ASP A 6 40.021 12.354 13.302 1.00 19.48 C ATOM 76 C ASP A 6 39.746 13.340 12.166 1.00 19.17 C ATOM 77 O ASP A 6 39.008 13.026 11.232 1.00 19.54 O ATOM 78 CB ASP A 6 38.873 12.380 14.317 1.00 19.78 C ATOM 79 CG ASP A 6 37.554 11.944 13.711 1.00 20.15 C ATOM 80 OD1 ASP A 6 36.857 12.800 13.125 1.00 20.68 O ATOM 81 OD2 ASP A 6 37.217 10.746 13.822 1.00 19.98 O ATOM 0 H ASP A 6 42.035 11.954 13.719 1.00 19.17 H new ATOM 0 HA ASP A 6 40.083 11.354 12.872 1.00 19.48 H new ATOM 0 HB2 ASP A 6 39.118 11.727 15.155 1.00 19.78 H new ATOM 0 HB3 ASP A 6 38.769 13.388 14.718 1.00 19.78 H new ATOM 86 N HIS A 7 40.338 14.530 12.246 1.00 18.57 N ATOM 87 CA HIS A 7 40.153 15.543 11.209 1.00 18.29 C ATOM 88 C HIS A 7 41.457 16.298 10.935 1.00 17.53 C ATOM 89 O HIS A 7 41.547 17.505 11.162 1.00 17.32 O ATOM 90 CB HIS A 7 39.036 16.522 11.598 1.00 18.69 C ATOM 91 CG HIS A 7 39.214 17.181 12.936 1.00 19.51 C ATOM 92 ND1 HIS A 7 40.243 17.151 13.820 1.00 20.01 N flip ATOM 93 CD2 HIS A 7 38.256 17.997 13.500 1.00 20.02 C flip ATOM 94 CE1 HIS A 7 39.887 17.939 14.886 1.00 20.77 C flip ATOM 95 NE2 HIS A 7 38.686 18.438 14.669 1.00 20.78 N flip ATOM 0 H HIS A 7 40.946 14.815 13.013 1.00 18.57 H new ATOM 0 HA HIS A 7 39.860 15.031 10.292 1.00 18.29 H new ATOM 0 HB2 HIS A 7 38.968 17.296 10.834 1.00 18.69 H new ATOM 0 HB3 HIS A 7 38.086 15.987 11.596 1.00 18.69 H new ATOM 0 HD2 HIS A 7 37.302 18.238 13.055 1.00 20.02 H new ATOM 0 HE1 HIS A 7 40.493 18.121 15.761 1.00 20.77 H new ATOM 0 HE2 HIS A 7 38.176 19.059 15.297 1.00 20.78 H new ATOM 104 N PRO A 8 42.485 15.594 10.425 1.00 17.24 N ATOM 105 CA PRO A 8 43.786 16.202 10.124 1.00 16.62 C ATOM 106 C PRO A 8 43.746 17.106 8.898 1.00 16.32 C ATOM 107 O PRO A 8 44.609 17.966 8.721 1.00 16.10 O ATOM 108 CB PRO A 8 44.687 14.994 9.866 1.00 16.70 C ATOM 109 CG PRO A 8 43.762 13.936 9.374 1.00 17.24 C ATOM 110 CD PRO A 8 42.464 14.152 10.103 1.00 17.61 C ATOM 0 HA PRO A 8 44.127 16.847 10.934 1.00 16.62 H new ATOM 0 HB2 PRO A 8 45.456 15.223 9.128 1.00 16.70 H new ATOM 0 HB3 PRO A 8 45.200 14.681 10.775 1.00 16.70 H new ATOM 0 HG2 PRO A 8 43.621 14.011 8.296 1.00 17.24 H new ATOM 0 HG3 PRO A 8 44.162 12.942 9.575 1.00 17.24 H new ATOM 0 HD2 PRO A 8 41.607 13.892 9.482 1.00 17.61 H new ATOM 0 HD3 PRO A 8 42.403 13.541 11.003 1.00 17.61 H new ATOM 118 N ASP A 9 42.740 16.909 8.053 1.00 16.45 N ATOM 119 CA ASP A 9 42.595 17.708 6.841 1.00 16.33 C ATOM 120 C ASP A 9 41.127 17.908 6.481 1.00 15.32 C ATOM 121 O ASP A 9 40.724 18.993 6.062 1.00 15.25 O ATOM 122 CB ASP A 9 43.329 17.043 5.676 1.00 16.84 C ATOM 123 CG ASP A 9 43.205 17.834 4.388 1.00 17.14 C ATOM 124 OD1 ASP A 9 43.954 18.819 4.222 1.00 17.28 O ATOM 125 OD2 ASP A 9 42.357 17.469 3.547 1.00 17.31 O ATOM 0 H ASP A 9 42.014 16.205 8.184 1.00 16.45 H new ATOM 0 HA ASP A 9 43.036 18.686 7.033 1.00 16.33 H new ATOM 0 HB2 ASP A 9 44.383 16.931 5.930 1.00 16.84 H new ATOM 0 HB3 ASP A 9 42.930 16.040 5.523 1.00 16.84 H new ATOM 130 N GLN A 10 40.330 16.857 6.646 1.00 14.64 N ATOM 131 CA GLN A 10 38.906 16.926 6.333 1.00 13.72 C ATOM 132 C GLN A 10 38.071 17.075 7.606 1.00 13.15 C ATOM 133 O GLN A 10 37.939 16.133 8.385 1.00 12.93 O ATOM 134 CB GLN A 10 38.462 15.685 5.547 1.00 13.53 C ATOM 135 CG GLN A 10 39.296 14.440 5.816 1.00 14.16 C ATOM 136 CD GLN A 10 39.052 13.849 7.190 1.00 14.37 C ATOM 137 OE1 GLN A 10 39.857 14.261 8.161 1.00 15.03 O flip ATOM 138 NE2 GLN A 10 38.154 13.027 7.375 1.00 13.92 N flip ATOM 0 H GLN A 10 40.644 15.951 6.993 1.00 14.64 H new ATOM 0 HA GLN A 10 38.743 17.807 5.712 1.00 13.72 H new ATOM 0 HB2 GLN A 10 37.421 15.470 5.789 1.00 13.53 H new ATOM 0 HB3 GLN A 10 38.502 15.911 4.481 1.00 13.53 H new ATOM 0 HG2 GLN A 10 39.072 13.689 5.059 1.00 14.16 H new ATOM 0 HG3 GLN A 10 40.353 14.689 5.716 1.00 14.16 H new ATOM 0 HE21 GLN A 10 37.558 12.739 6.599 1.00 13.92 H new ATOM 0 HE22 GLN A 10 38.006 12.634 8.305 1.00 13.92 H new ATOM 147 N PRO A 11 37.491 18.271 7.836 1.00 13.08 N ATOM 148 CA PRO A 11 36.677 18.538 9.013 1.00 12.76 C ATOM 149 C PRO A 11 35.206 18.201 8.790 1.00 12.12 C ATOM 150 O PRO A 11 34.320 18.826 9.375 1.00 12.51 O ATOM 151 CB PRO A 11 36.865 20.040 9.218 1.00 13.25 C ATOM 152 CG PRO A 11 37.168 20.602 7.863 1.00 13.64 C ATOM 153 CD PRO A 11 37.580 19.455 6.969 1.00 13.53 C ATOM 0 HA PRO A 11 36.972 17.933 9.870 1.00 12.76 H new ATOM 0 HB2 PRO A 11 35.967 20.493 9.637 1.00 13.25 H new ATOM 0 HB3 PRO A 11 37.678 20.241 9.915 1.00 13.25 H new ATOM 0 HG2 PRO A 11 36.293 21.109 7.455 1.00 13.64 H new ATOM 0 HG3 PRO A 11 37.965 21.343 7.926 1.00 13.64 H new ATOM 0 HD2 PRO A 11 36.921 19.367 6.106 1.00 13.53 H new ATOM 0 HD3 PRO A 11 38.591 19.592 6.585 1.00 13.53 H new ATOM 161 N ASP A 12 34.954 17.207 7.944 1.00 11.29 N ATOM 162 CA ASP A 12 33.591 16.785 7.644 1.00 10.79 C ATOM 163 C ASP A 12 33.573 15.421 6.967 1.00 10.38 C ATOM 164 O ASP A 12 34.335 15.165 6.036 1.00 10.71 O ATOM 165 CB ASP A 12 32.898 17.816 6.753 1.00 11.15 C ATOM 166 CG ASP A 12 33.704 18.142 5.510 1.00 11.29 C ATOM 167 OD1 ASP A 12 33.529 17.443 4.489 1.00 11.33 O ATOM 168 OD2 ASP A 12 34.509 19.095 5.557 1.00 11.52 O ATOM 0 H ASP A 12 35.676 16.679 7.454 1.00 11.29 H new ATOM 0 HA ASP A 12 33.051 16.707 8.588 1.00 10.79 H new ATOM 0 HB2 ASP A 12 31.919 17.438 6.459 1.00 11.15 H new ATOM 0 HB3 ASP A 12 32.729 18.730 7.323 1.00 11.15 H new ATOM 173 N LEU A 13 32.693 14.551 7.448 1.00 9.86 N ATOM 174 CA LEU A 13 32.556 13.211 6.893 1.00 9.61 C ATOM 175 C LEU A 13 31.583 13.221 5.721 1.00 8.86 C ATOM 176 O LEU A 13 30.931 12.216 5.432 1.00 8.64 O ATOM 177 CB LEU A 13 32.070 12.240 7.967 1.00 9.76 C ATOM 178 CG LEU A 13 30.758 12.635 8.641 1.00 10.45 C ATOM 179 CD1 LEU A 13 29.954 11.400 9.013 1.00 10.67 C ATOM 180 CD2 LEU A 13 31.027 13.486 9.873 1.00 11.11 C ATOM 0 H LEU A 13 32.062 14.751 8.224 1.00 9.86 H new ATOM 0 HA LEU A 13 33.532 12.882 6.537 1.00 9.61 H new ATOM 0 HB2 LEU A 13 31.949 11.254 7.518 1.00 9.76 H new ATOM 0 HB3 LEU A 13 32.842 12.149 8.731 1.00 9.76 H new ATOM 0 HG LEU A 13 30.174 13.225 7.935 1.00 10.45 H new ATOM 0 HD11 LEU A 13 29.023 11.703 9.492 1.00 10.67 H new ATOM 0 HD12 LEU A 13 29.730 10.827 8.113 1.00 10.67 H new ATOM 0 HD13 LEU A 13 30.532 10.783 9.701 1.00 10.67 H new ATOM 0 HD21 LEU A 13 30.081 13.758 10.341 1.00 11.11 H new ATOM 0 HD22 LEU A 13 31.632 12.920 10.581 1.00 11.11 H new ATOM 0 HD23 LEU A 13 31.561 14.390 9.581 1.00 11.11 H new ATOM 192 N ASP A 14 31.490 14.364 5.051 1.00 8.68 N ATOM 193 CA ASP A 14 30.594 14.516 3.911 1.00 8.23 C ATOM 194 C ASP A 14 31.190 13.872 2.662 1.00 7.17 C ATOM 195 O ASP A 14 30.649 14.009 1.565 1.00 6.98 O ATOM 196 CB ASP A 14 30.312 15.998 3.654 1.00 9.02 C ATOM 197 CG ASP A 14 29.216 16.212 2.628 1.00 9.69 C ATOM 198 OD1 ASP A 14 28.027 16.118 3.000 1.00 9.93 O ATOM 199 OD2 ASP A 14 29.546 16.476 1.453 1.00 10.16 O ATOM 0 H ASP A 14 32.026 15.201 5.279 1.00 8.68 H new ATOM 0 HA ASP A 14 29.657 14.011 4.144 1.00 8.23 H new ATOM 0 HB2 ASP A 14 30.027 16.478 4.590 1.00 9.02 H new ATOM 0 HB3 ASP A 14 31.226 16.484 3.312 1.00 9.02 H new ATOM 204 N ALA A 15 32.308 13.171 2.837 1.00 6.71 N ATOM 205 CA ALA A 15 32.973 12.508 1.722 1.00 5.87 C ATOM 206 C ALA A 15 32.052 11.483 1.068 1.00 5.33 C ATOM 207 O ALA A 15 31.190 11.843 0.265 1.00 5.56 O ATOM 208 CB ALA A 15 34.269 11.860 2.185 1.00 6.04 C ATOM 0 H ALA A 15 32.770 13.049 3.738 1.00 6.71 H new ATOM 0 HA ALA A 15 33.216 13.261 0.972 1.00 5.87 H new ATOM 0 HB1 ALA A 15 34.753 11.370 1.340 1.00 6.04 H new ATOM 0 HB2 ALA A 15 34.933 12.624 2.590 1.00 6.04 H new ATOM 0 HB3 ALA A 15 34.051 11.122 2.957 1.00 6.04 H new ATOM 214 N ILE A 16 32.229 10.210 1.416 1.00 4.74 N ATOM 215 CA ILE A 16 31.400 9.147 0.861 1.00 4.26 C ATOM 216 C ILE A 16 31.807 7.780 1.409 1.00 3.73 C ATOM 217 O ILE A 16 32.995 7.484 1.565 1.00 3.57 O ATOM 218 CB ILE A 16 31.453 9.129 -0.691 1.00 4.00 C ATOM 219 CG1 ILE A 16 30.053 8.902 -1.273 1.00 4.44 C ATOM 220 CG2 ILE A 16 32.416 8.067 -1.203 1.00 3.10 C ATOM 221 CD1 ILE A 16 29.364 7.658 -0.751 1.00 4.12 C ATOM 0 H ILE A 16 32.937 9.892 2.078 1.00 4.74 H new ATOM 0 HA ILE A 16 30.375 9.356 1.168 1.00 4.26 H new ATOM 0 HB ILE A 16 31.820 10.101 -1.021 1.00 4.00 H new ATOM 0 HG12 ILE A 16 29.432 9.770 -1.049 1.00 4.44 H new ATOM 0 HG13 ILE A 16 30.128 8.835 -2.358 1.00 4.44 H new ATOM 0 HG21 ILE A 16 32.428 8.082 -2.293 1.00 3.10 H new ATOM 0 HG22 ILE A 16 33.418 8.272 -0.826 1.00 3.10 H new ATOM 0 HG23 ILE A 16 32.092 7.085 -0.857 1.00 3.10 H new ATOM 0 HD11 ILE A 16 28.379 7.568 -1.210 1.00 4.12 H new ATOM 0 HD12 ILE A 16 29.961 6.780 -0.998 1.00 4.12 H new ATOM 0 HD13 ILE A 16 29.255 7.730 0.331 1.00 4.12 H new ATOM 233 N LYS A 17 30.804 6.955 1.693 1.00 3.63 N ATOM 234 CA LYS A 17 31.023 5.614 2.214 1.00 3.33 C ATOM 235 C LYS A 17 30.347 4.574 1.326 1.00 2.84 C ATOM 236 O LYS A 17 29.231 4.785 0.850 1.00 3.10 O ATOM 237 CB LYS A 17 30.474 5.506 3.636 1.00 3.97 C ATOM 238 CG LYS A 17 31.458 5.942 4.710 1.00 4.67 C ATOM 239 CD LYS A 17 30.874 5.782 6.107 1.00 5.07 C ATOM 240 CE LYS A 17 30.948 4.341 6.593 1.00 5.85 C ATOM 241 NZ LYS A 17 30.033 3.444 5.833 1.00 6.09 N ATOM 0 H LYS A 17 29.821 7.198 1.568 1.00 3.63 H new ATOM 0 HA LYS A 17 32.096 5.424 2.225 1.00 3.33 H new ATOM 0 HB2 LYS A 17 29.573 6.114 3.714 1.00 3.97 H new ATOM 0 HB3 LYS A 17 30.180 4.474 3.824 1.00 3.97 H new ATOM 0 HG2 LYS A 17 32.371 5.353 4.628 1.00 4.67 H new ATOM 0 HG3 LYS A 17 31.735 6.984 4.548 1.00 4.67 H new ATOM 0 HD2 LYS A 17 31.412 6.427 6.801 1.00 5.07 H new ATOM 0 HD3 LYS A 17 29.835 6.112 6.106 1.00 5.07 H new ATOM 0 HE2 LYS A 17 31.972 3.979 6.497 1.00 5.85 H new ATOM 0 HE3 LYS A 17 30.694 4.303 7.652 1.00 5.85 H new ATOM 0 HZ1 LYS A 17 29.693 2.685 6.458 1.00 6.09 H new ATOM 0 HZ2 LYS A 17 29.222 3.992 5.481 1.00 6.09 H new ATOM 0 HZ3 LYS A 17 30.544 3.027 5.029 1.00 6.09 H new ATOM 255 N MET A 18 31.027 3.454 1.103 1.00 2.38 N ATOM 256 CA MET A 18 30.484 2.387 0.272 1.00 2.12 C ATOM 257 C MET A 18 30.542 1.044 0.992 1.00 2.26 C ATOM 258 O MET A 18 31.473 0.767 1.745 1.00 2.37 O ATOM 259 CB MET A 18 31.236 2.308 -1.055 1.00 1.82 C ATOM 260 CG MET A 18 31.158 3.589 -1.870 1.00 2.03 C ATOM 261 SD MET A 18 31.848 3.407 -3.525 1.00 2.43 S ATOM 262 CE MET A 18 30.692 2.246 -4.247 1.00 3.14 C ATOM 0 H MET A 18 31.953 3.262 1.485 1.00 2.38 H new ATOM 0 HA MET A 18 29.438 2.619 0.071 1.00 2.12 H new ATOM 0 HB2 MET A 18 32.282 2.075 -0.858 1.00 1.82 H new ATOM 0 HB3 MET A 18 30.832 1.486 -1.645 1.00 1.82 H new ATOM 0 HG2 MET A 18 30.117 3.902 -1.948 1.00 2.03 H new ATOM 0 HG3 MET A 18 31.691 4.382 -1.344 1.00 2.03 H new ATOM 0 HE1 MET A 18 30.817 2.234 -5.330 1.00 3.14 H new ATOM 0 HE2 MET A 18 30.881 1.249 -3.849 1.00 3.14 H new ATOM 0 HE3 MET A 18 29.673 2.547 -4.003 1.00 3.14 H new ATOM 272 N PHE A 19 29.529 0.223 0.749 1.00 2.46 N ATOM 273 CA PHE A 19 29.416 -1.096 1.361 1.00 2.77 C ATOM 274 C PHE A 19 29.187 -2.166 0.289 1.00 2.74 C ATOM 275 O PHE A 19 28.305 -2.022 -0.558 1.00 2.74 O ATOM 276 CB PHE A 19 28.256 -1.077 2.363 1.00 3.31 C ATOM 277 CG PHE A 19 28.272 -2.203 3.355 1.00 3.72 C ATOM 278 CD1 PHE A 19 28.075 -3.513 2.951 1.00 3.78 C ATOM 279 CD2 PHE A 19 28.481 -1.943 4.700 1.00 4.18 C ATOM 280 CE1 PHE A 19 28.086 -4.545 3.871 1.00 4.26 C ATOM 281 CE2 PHE A 19 28.493 -2.970 5.624 1.00 4.66 C ATOM 282 CZ PHE A 19 28.295 -4.273 5.209 1.00 4.68 C ATOM 0 H PHE A 19 28.760 0.453 0.120 1.00 2.46 H new ATOM 0 HA PHE A 19 30.342 -1.340 1.882 1.00 2.77 H new ATOM 0 HB2 PHE A 19 28.276 -0.132 2.905 1.00 3.31 H new ATOM 0 HB3 PHE A 19 27.316 -1.108 1.812 1.00 3.31 H new ATOM 0 HD1 PHE A 19 27.911 -3.731 1.906 1.00 3.78 H new ATOM 0 HD2 PHE A 19 28.636 -0.926 5.030 1.00 4.18 H new ATOM 0 HE1 PHE A 19 27.931 -5.563 3.544 1.00 4.26 H new ATOM 0 HE2 PHE A 19 28.657 -2.755 6.670 1.00 4.66 H new ATOM 0 HZ PHE A 19 28.304 -5.077 5.930 1.00 4.68 H new ATOM 292 N VAL A 20 29.978 -3.241 0.327 1.00 2.86 N ATOM 293 CA VAL A 20 29.851 -4.319 -0.658 1.00 3.00 C ATOM 294 C VAL A 20 29.642 -5.673 0.010 1.00 3.64 C ATOM 295 O VAL A 20 30.207 -5.952 1.069 1.00 3.85 O ATOM 296 CB VAL A 20 31.100 -4.414 -1.558 1.00 2.66 C ATOM 297 CG1 VAL A 20 30.928 -5.434 -2.670 1.00 2.37 C ATOM 298 CG2 VAL A 20 31.472 -3.049 -2.114 1.00 2.99 C ATOM 0 H VAL A 20 30.708 -3.388 1.024 1.00 2.86 H new ATOM 0 HA VAL A 20 28.979 -4.073 -1.263 1.00 3.00 H new ATOM 0 HB VAL A 20 31.923 -4.763 -0.934 1.00 2.66 H new ATOM 0 HG11 VAL A 20 31.832 -5.466 -3.278 1.00 2.37 H new ATOM 0 HG12 VAL A 20 30.747 -6.418 -2.237 1.00 2.37 H new ATOM 0 HG13 VAL A 20 30.081 -5.152 -3.295 1.00 2.37 H new ATOM 0 HG21 VAL A 20 32.356 -3.142 -2.745 1.00 2.99 H new ATOM 0 HG22 VAL A 20 30.643 -2.659 -2.705 1.00 2.99 H new ATOM 0 HG23 VAL A 20 31.684 -2.366 -1.291 1.00 2.99 H new ATOM 308 N GLY A 21 28.831 -6.512 -0.628 1.00 3.97 N ATOM 309 CA GLY A 21 28.560 -7.838 -0.109 1.00 4.60 C ATOM 310 C GLY A 21 28.695 -8.902 -1.182 1.00 4.93 C ATOM 311 O GLY A 21 28.185 -8.738 -2.290 1.00 4.85 O ATOM 0 H GLY A 21 28.354 -6.293 -1.502 1.00 3.97 H new ATOM 0 HA2 GLY A 21 29.248 -8.056 0.708 1.00 4.60 H new ATOM 0 HA3 GLY A 21 27.553 -7.867 0.307 1.00 4.60 H new ATOM 315 N GLN A 22 29.398 -9.984 -0.851 1.00 5.36 N ATOM 316 CA GLN A 22 29.611 -11.092 -1.777 1.00 5.79 C ATOM 317 C GLN A 22 30.605 -10.717 -2.870 1.00 5.48 C ATOM 318 O GLN A 22 30.286 -10.752 -4.055 1.00 5.53 O ATOM 319 CB GLN A 22 28.286 -11.554 -2.393 1.00 6.13 C ATOM 320 CG GLN A 22 28.379 -12.897 -3.097 1.00 6.35 C ATOM 321 CD GLN A 22 27.067 -13.317 -3.731 1.00 7.21 C ATOM 322 OE1 GLN A 22 26.281 -12.341 -4.171 1.00 7.79 O flip ATOM 323 NE2 GLN A 22 26.764 -14.507 -3.827 1.00 7.55 N flip ATOM 0 H GLN A 22 29.833 -10.116 0.062 1.00 5.36 H new ATOM 0 HA GLN A 22 30.033 -11.920 -1.207 1.00 5.79 H new ATOM 0 HB2 GLN A 22 27.532 -11.616 -1.608 1.00 6.13 H new ATOM 0 HB3 GLN A 22 27.944 -10.803 -3.105 1.00 6.13 H new ATOM 0 HG2 GLN A 22 29.150 -12.847 -3.866 1.00 6.35 H new ATOM 0 HG3 GLN A 22 28.692 -13.657 -2.381 1.00 6.35 H new ATOM 0 HE21 GLN A 22 27.398 -15.225 -3.475 1.00 7.55 H new ATOM 0 HE22 GLN A 22 25.879 -14.775 -4.258 1.00 7.55 H new ATOM 332 N VAL A 23 31.817 -10.360 -2.460 1.00 5.25 N ATOM 333 CA VAL A 23 32.865 -9.991 -3.403 1.00 5.09 C ATOM 334 C VAL A 23 33.811 -11.177 -3.639 1.00 5.64 C ATOM 335 O VAL A 23 34.178 -11.869 -2.691 1.00 5.87 O ATOM 336 CB VAL A 23 33.664 -8.766 -2.900 1.00 4.52 C ATOM 337 CG1 VAL A 23 34.315 -9.058 -1.558 1.00 4.57 C ATOM 338 CG2 VAL A 23 34.709 -8.339 -3.920 1.00 4.51 C ATOM 0 H VAL A 23 32.098 -10.318 -1.480 1.00 5.25 H new ATOM 0 HA VAL A 23 32.389 -9.722 -4.346 1.00 5.09 H new ATOM 0 HB VAL A 23 32.963 -7.942 -2.768 1.00 4.52 H new ATOM 0 HG11 VAL A 23 34.871 -8.182 -1.225 1.00 4.57 H new ATOM 0 HG12 VAL A 23 33.545 -9.299 -0.825 1.00 4.57 H new ATOM 0 HG13 VAL A 23 34.996 -9.903 -1.660 1.00 4.57 H new ATOM 0 HG21 VAL A 23 35.256 -7.476 -3.541 1.00 4.51 H new ATOM 0 HG22 VAL A 23 35.404 -9.161 -4.095 1.00 4.51 H new ATOM 0 HG23 VAL A 23 34.217 -8.074 -4.856 1.00 4.51 H new ATOM 348 N PRO A 24 34.191 -11.439 -4.910 1.00 5.91 N ATOM 349 CA PRO A 24 35.075 -12.542 -5.281 1.00 6.48 C ATOM 350 C PRO A 24 36.106 -12.903 -4.212 1.00 6.48 C ATOM 351 O PRO A 24 36.240 -14.070 -3.845 1.00 7.01 O ATOM 352 CB PRO A 24 35.766 -11.992 -6.521 1.00 6.70 C ATOM 353 CG PRO A 24 34.760 -11.104 -7.169 1.00 6.51 C ATOM 354 CD PRO A 24 33.777 -10.686 -6.106 1.00 5.77 C ATOM 0 HA PRO A 24 34.523 -13.470 -5.427 1.00 6.48 H new ATOM 0 HB2 PRO A 24 36.667 -11.439 -6.257 1.00 6.70 H new ATOM 0 HB3 PRO A 24 36.071 -12.796 -7.191 1.00 6.70 H new ATOM 0 HG2 PRO A 24 35.244 -10.232 -7.608 1.00 6.51 H new ATOM 0 HG3 PRO A 24 34.251 -11.627 -7.978 1.00 6.51 H new ATOM 0 HD2 PRO A 24 33.814 -9.611 -5.931 1.00 5.77 H new ATOM 0 HD3 PRO A 24 32.754 -10.928 -6.394 1.00 5.77 H new ATOM 362 N ARG A 25 36.836 -11.905 -3.720 1.00 6.06 N ATOM 363 CA ARG A 25 37.864 -12.137 -2.706 1.00 6.01 C ATOM 364 C ARG A 25 38.917 -13.113 -3.222 1.00 6.40 C ATOM 365 O ARG A 25 39.684 -13.684 -2.446 1.00 6.39 O ATOM 366 CB ARG A 25 37.244 -12.682 -1.413 1.00 5.95 C ATOM 367 CG ARG A 25 36.450 -11.652 -0.624 1.00 5.62 C ATOM 368 CD ARG A 25 37.301 -10.445 -0.262 1.00 5.99 C ATOM 369 NE ARG A 25 38.482 -10.819 0.509 1.00 6.24 N ATOM 370 CZ ARG A 25 39.593 -10.089 0.558 1.00 6.85 C ATOM 371 NH1 ARG A 25 39.675 -8.950 -0.117 1.00 7.30 N ATOM 372 NH2 ARG A 25 40.626 -10.499 1.283 1.00 7.24 N ATOM 0 H ARG A 25 36.736 -10.931 -4.005 1.00 6.06 H new ATOM 0 HA ARG A 25 38.341 -11.181 -2.490 1.00 6.01 H new ATOM 0 HB2 ARG A 25 36.590 -13.518 -1.660 1.00 5.95 H new ATOM 0 HB3 ARG A 25 38.039 -13.076 -0.779 1.00 5.95 H new ATOM 0 HG2 ARG A 25 35.590 -11.329 -1.210 1.00 5.62 H new ATOM 0 HG3 ARG A 25 36.062 -12.110 0.286 1.00 5.62 H new ATOM 0 HD2 ARG A 25 37.610 -9.933 -1.173 1.00 5.99 H new ATOM 0 HD3 ARG A 25 36.702 -9.738 0.313 1.00 5.99 H new ATOM 0 HE ARG A 25 38.454 -11.689 1.040 1.00 6.24 H new ATOM 0 HH11 ARG A 25 38.884 -8.631 -0.677 1.00 7.30 H new ATOM 0 HH12 ARG A 25 40.529 -8.393 -0.076 1.00 7.30 H new ATOM 0 HH21 ARG A 25 40.569 -11.374 1.803 1.00 7.24 H new ATOM 0 HH22 ARG A 25 41.478 -9.939 1.320 1.00 7.24 H new ATOM 386 N THR A 26 38.947 -13.299 -4.538 1.00 6.80 N ATOM 387 CA THR A 26 39.903 -14.202 -5.162 1.00 7.23 C ATOM 388 C THR A 26 41.276 -13.549 -5.281 1.00 7.16 C ATOM 389 O THR A 26 42.266 -14.211 -5.592 1.00 7.49 O ATOM 390 CB THR A 26 39.428 -14.641 -6.561 1.00 7.59 C ATOM 391 OG1 THR A 26 40.429 -15.450 -7.190 1.00 8.00 O ATOM 392 CG2 THR A 26 39.123 -13.432 -7.432 1.00 7.42 C ATOM 0 H THR A 26 38.318 -12.834 -5.193 1.00 6.80 H new ATOM 0 HA THR A 26 39.977 -15.081 -4.521 1.00 7.23 H new ATOM 0 HB THR A 26 38.515 -15.224 -6.443 1.00 7.59 H new ATOM 0 HG1 THR A 26 41.311 -15.214 -6.834 1.00 8.00 H new ATOM 0 HG21 THR A 26 38.790 -13.766 -8.414 1.00 7.42 H new ATOM 0 HG22 THR A 26 38.338 -12.836 -6.966 1.00 7.42 H new ATOM 0 HG23 THR A 26 40.022 -12.826 -7.541 1.00 7.42 H new ATOM 400 N TRP A 27 41.326 -12.245 -5.026 1.00 6.78 N ATOM 401 CA TRP A 27 42.577 -11.496 -5.102 1.00 6.78 C ATOM 402 C TRP A 27 42.978 -10.968 -3.728 1.00 6.52 C ATOM 403 O TRP A 27 42.430 -11.388 -2.709 1.00 6.48 O ATOM 404 CB TRP A 27 42.444 -10.335 -6.095 1.00 6.61 C ATOM 405 CG TRP A 27 42.438 -10.764 -7.535 1.00 6.78 C ATOM 406 CD1 TRP A 27 42.484 -12.042 -8.018 1.00 7.11 C ATOM 407 CD2 TRP A 27 42.385 -9.906 -8.681 1.00 6.87 C ATOM 408 NE1 TRP A 27 42.461 -12.029 -9.392 1.00 7.30 N ATOM 409 CE2 TRP A 27 42.400 -10.730 -9.822 1.00 7.14 C ATOM 410 CE3 TRP A 27 42.324 -8.521 -8.853 1.00 7.00 C ATOM 411 CZ2 TRP A 27 42.358 -10.215 -11.114 1.00 7.39 C ATOM 412 CZ3 TRP A 27 42.282 -8.009 -10.137 1.00 7.36 C ATOM 413 CH2 TRP A 27 42.299 -8.855 -11.253 1.00 7.49 C ATOM 0 H TRP A 27 40.515 -11.685 -4.765 1.00 6.78 H new ATOM 0 HA TRP A 27 43.357 -12.172 -5.452 1.00 6.78 H new ATOM 0 HB2 TRP A 27 41.522 -9.793 -5.884 1.00 6.61 H new ATOM 0 HB3 TRP A 27 43.267 -9.638 -5.937 1.00 6.61 H new ATOM 0 HD1 TRP A 27 42.532 -12.932 -7.409 1.00 7.11 H new ATOM 0 HE1 TRP A 27 42.485 -12.852 -9.993 1.00 7.30 H new ATOM 0 HE3 TRP A 27 42.310 -7.861 -7.998 1.00 7.00 H new ATOM 0 HZ2 TRP A 27 42.371 -10.865 -11.976 1.00 7.39 H new ATOM 0 HZ3 TRP A 27 42.235 -6.940 -10.281 1.00 7.36 H new ATOM 0 HH2 TRP A 27 42.265 -8.425 -12.243 1.00 7.49 H new ATOM 424 N SER A 28 43.936 -10.045 -3.706 1.00 6.41 N ATOM 425 CA SER A 28 44.401 -9.460 -2.455 1.00 6.22 C ATOM 426 C SER A 28 43.633 -8.181 -2.149 1.00 5.65 C ATOM 427 O SER A 28 42.765 -7.772 -2.921 1.00 5.37 O ATOM 428 CB SER A 28 45.900 -9.167 -2.527 1.00 6.54 C ATOM 429 OG SER A 28 46.640 -10.350 -2.777 1.00 6.97 O ATOM 0 H SER A 28 44.404 -9.688 -4.539 1.00 6.41 H new ATOM 0 HA SER A 28 44.222 -10.177 -1.653 1.00 6.22 H new ATOM 0 HB2 SER A 28 46.094 -8.440 -3.315 1.00 6.54 H new ATOM 0 HB3 SER A 28 46.231 -8.718 -1.591 1.00 6.54 H new ATOM 0 HG SER A 28 47.595 -10.135 -2.820 1.00 6.97 H new ATOM 435 N GLU A 29 43.948 -7.550 -1.023 1.00 5.49 N ATOM 436 CA GLU A 29 43.263 -6.325 -0.636 1.00 4.97 C ATOM 437 C GLU A 29 43.677 -5.157 -1.526 1.00 4.84 C ATOM 438 O GLU A 29 42.826 -4.437 -2.047 1.00 4.48 O ATOM 439 CB GLU A 29 43.558 -5.994 0.829 1.00 4.89 C ATOM 440 CG GLU A 29 42.878 -4.725 1.317 1.00 4.40 C ATOM 441 CD GLU A 29 43.181 -4.423 2.772 1.00 4.54 C ATOM 442 OE1 GLU A 29 44.253 -3.845 3.048 1.00 4.58 O ATOM 443 OE2 GLU A 29 42.345 -4.763 3.635 1.00 4.76 O ATOM 0 H GLU A 29 44.666 -7.863 -0.369 1.00 5.49 H new ATOM 0 HA GLU A 29 42.192 -6.486 -0.760 1.00 4.97 H new ATOM 0 HB2 GLU A 29 43.239 -6.829 1.452 1.00 4.89 H new ATOM 0 HB3 GLU A 29 44.635 -5.892 0.960 1.00 4.89 H new ATOM 0 HG2 GLU A 29 43.199 -3.885 0.701 1.00 4.40 H new ATOM 0 HG3 GLU A 29 41.800 -4.822 1.187 1.00 4.40 H new ATOM 450 N LYS A 30 44.982 -5.001 -1.737 1.00 5.20 N ATOM 451 CA LYS A 30 45.491 -3.913 -2.558 1.00 5.23 C ATOM 452 C LYS A 30 44.910 -3.980 -3.952 1.00 5.19 C ATOM 453 O LYS A 30 44.451 -2.976 -4.499 1.00 4.95 O ATOM 454 CB LYS A 30 47.004 -3.988 -2.657 1.00 5.76 C ATOM 455 CG LYS A 30 47.684 -2.638 -2.515 1.00 6.10 C ATOM 456 CD LYS A 30 49.189 -2.784 -2.426 1.00 6.00 C ATOM 457 CE LYS A 30 49.879 -1.429 -2.391 1.00 6.45 C ATOM 458 NZ LYS A 30 49.427 -0.606 -1.236 1.00 7.08 N ATOM 0 H LYS A 30 45.701 -5.613 -1.351 1.00 5.20 H new ATOM 0 HA LYS A 30 45.198 -2.975 -2.086 1.00 5.23 H new ATOM 0 HB2 LYS A 30 47.379 -4.659 -1.884 1.00 5.76 H new ATOM 0 HB3 LYS A 30 47.277 -4.425 -3.618 1.00 5.76 H new ATOM 0 HG2 LYS A 30 47.428 -2.008 -3.367 1.00 6.10 H new ATOM 0 HG3 LYS A 30 47.312 -2.134 -1.623 1.00 6.10 H new ATOM 0 HD2 LYS A 30 49.449 -3.349 -1.531 1.00 6.00 H new ATOM 0 HD3 LYS A 30 49.551 -3.356 -3.280 1.00 6.00 H new ATOM 0 HE2 LYS A 30 50.958 -1.572 -2.334 1.00 6.45 H new ATOM 0 HE3 LYS A 30 49.677 -0.894 -3.319 1.00 6.45 H new ATOM 0 HZ1 LYS A 30 50.036 0.233 -1.148 1.00 7.08 H new ATOM 0 HZ2 LYS A 30 48.443 -0.305 -1.388 1.00 7.08 H new ATOM 0 HZ3 LYS A 30 49.486 -1.170 -0.364 1.00 7.08 H new ATOM 472 N ASP A 31 44.926 -5.175 -4.519 1.00 5.49 N ATOM 473 CA ASP A 31 44.408 -5.373 -5.853 1.00 5.55 C ATOM 474 C ASP A 31 42.932 -5.007 -5.905 1.00 5.01 C ATOM 475 O ASP A 31 42.453 -4.434 -6.884 1.00 4.91 O ATOM 476 CB ASP A 31 44.610 -6.822 -6.304 1.00 6.02 C ATOM 477 CG ASP A 31 46.076 -7.201 -6.397 1.00 6.57 C ATOM 478 OD1 ASP A 31 46.647 -7.622 -5.369 1.00 6.86 O ATOM 479 OD2 ASP A 31 46.653 -7.079 -7.499 1.00 6.91 O ATOM 0 H ASP A 31 45.292 -6.017 -4.074 1.00 5.49 H new ATOM 0 HA ASP A 31 44.957 -4.722 -6.534 1.00 5.55 H new ATOM 0 HB2 ASP A 31 44.109 -7.490 -5.604 1.00 6.02 H new ATOM 0 HB3 ASP A 31 44.138 -6.966 -7.276 1.00 6.02 H new ATOM 484 N LEU A 32 42.221 -5.320 -4.824 1.00 4.72 N ATOM 485 CA LEU A 32 40.797 -5.035 -4.738 1.00 4.23 C ATOM 486 C LEU A 32 40.548 -3.537 -4.832 1.00 3.82 C ATOM 487 O LEU A 32 39.561 -3.095 -5.420 1.00 3.55 O ATOM 488 CB LEU A 32 40.229 -5.572 -3.424 1.00 4.13 C ATOM 489 CG LEU A 32 38.728 -5.361 -3.233 1.00 3.86 C ATOM 490 CD1 LEU A 32 37.945 -6.560 -3.746 1.00 4.25 C ATOM 491 CD2 LEU A 32 38.413 -5.093 -1.769 1.00 3.73 C ATOM 0 H LEU A 32 42.611 -5.771 -3.997 1.00 4.72 H new ATOM 0 HA LEU A 32 40.297 -5.528 -5.571 1.00 4.23 H new ATOM 0 HB2 LEU A 32 40.441 -6.640 -3.364 1.00 4.13 H new ATOM 0 HB3 LEU A 32 40.755 -5.096 -2.597 1.00 4.13 H new ATOM 0 HG LEU A 32 38.425 -4.490 -3.814 1.00 3.86 H new ATOM 0 HD11 LEU A 32 36.879 -6.388 -3.600 1.00 4.25 H new ATOM 0 HD12 LEU A 32 38.148 -6.700 -4.808 1.00 4.25 H new ATOM 0 HD13 LEU A 32 38.247 -7.453 -3.198 1.00 4.25 H new ATOM 0 HD21 LEU A 32 37.340 -4.945 -1.649 1.00 3.73 H new ATOM 0 HD22 LEU A 32 38.731 -5.944 -1.167 1.00 3.73 H new ATOM 0 HD23 LEU A 32 38.942 -4.198 -1.441 1.00 3.73 H new ATOM 503 N ARG A 33 41.459 -2.762 -4.252 1.00 3.89 N ATOM 504 CA ARG A 33 41.343 -1.312 -4.257 1.00 3.67 C ATOM 505 C ARG A 33 41.246 -0.780 -5.683 1.00 3.83 C ATOM 506 O ARG A 33 40.484 0.148 -5.957 1.00 3.57 O ATOM 507 CB ARG A 33 42.542 -0.679 -3.548 1.00 3.95 C ATOM 508 CG ARG A 33 42.787 -1.226 -2.151 1.00 4.34 C ATOM 509 CD ARG A 33 43.927 -0.496 -1.460 1.00 4.72 C ATOM 510 NE ARG A 33 44.203 -1.042 -0.133 1.00 5.30 N ATOM 511 CZ ARG A 33 44.943 -0.422 0.783 1.00 5.77 C ATOM 512 NH1 ARG A 33 45.478 0.763 0.516 1.00 5.63 N ATOM 513 NH2 ARG A 33 45.148 -0.986 1.965 1.00 6.56 N ATOM 0 H ARG A 33 42.286 -3.117 -3.772 1.00 3.89 H new ATOM 0 HA ARG A 33 40.431 -1.045 -3.723 1.00 3.67 H new ATOM 0 HB2 ARG A 33 43.435 -0.838 -4.152 1.00 3.95 H new ATOM 0 HB3 ARG A 33 42.388 0.398 -3.485 1.00 3.95 H new ATOM 0 HG2 ARG A 33 41.878 -1.130 -1.557 1.00 4.34 H new ATOM 0 HG3 ARG A 33 43.018 -2.290 -2.211 1.00 4.34 H new ATOM 0 HD2 ARG A 33 44.825 -0.563 -2.074 1.00 4.72 H new ATOM 0 HD3 ARG A 33 43.680 0.562 -1.372 1.00 4.72 H new ATOM 0 HE ARG A 33 43.806 -1.951 0.105 1.00 5.30 H new ATOM 0 HH11 ARG A 33 45.322 1.200 -0.392 1.00 5.63 H new ATOM 0 HH12 ARG A 33 46.045 1.237 1.219 1.00 5.63 H new ATOM 0 HH21 ARG A 33 44.738 -1.897 2.174 1.00 6.56 H new ATOM 0 HH22 ARG A 33 45.715 -0.509 2.666 1.00 6.56 H new ATOM 527 N GLU A 34 42.014 -1.385 -6.587 1.00 4.29 N ATOM 528 CA GLU A 34 42.027 -0.966 -7.985 1.00 4.54 C ATOM 529 C GLU A 34 40.623 -0.987 -8.575 1.00 4.17 C ATOM 530 O GLU A 34 40.239 -0.088 -9.324 1.00 4.17 O ATOM 531 CB GLU A 34 42.949 -1.874 -8.802 1.00 5.12 C ATOM 532 CG GLU A 34 44.386 -1.884 -8.307 1.00 5.67 C ATOM 533 CD GLU A 34 45.279 -2.789 -9.133 1.00 6.50 C ATOM 534 OE1 GLU A 34 45.383 -3.987 -8.797 1.00 6.86 O ATOM 535 OE2 GLU A 34 45.873 -2.299 -10.117 1.00 6.88 O ATOM 0 H GLU A 34 42.635 -2.166 -6.376 1.00 4.29 H new ATOM 0 HA GLU A 34 42.402 0.056 -8.027 1.00 4.54 H new ATOM 0 HB2 GLU A 34 42.558 -2.891 -8.778 1.00 5.12 H new ATOM 0 HB3 GLU A 34 42.934 -1.551 -9.843 1.00 5.12 H new ATOM 0 HG2 GLU A 34 44.782 -0.869 -8.331 1.00 5.67 H new ATOM 0 HG3 GLU A 34 44.406 -2.210 -7.267 1.00 5.67 H new ATOM 542 N LEU A 35 39.862 -2.014 -8.225 1.00 3.97 N ATOM 543 CA LEU A 35 38.501 -2.163 -8.722 1.00 3.73 C ATOM 544 C LEU A 35 37.654 -0.947 -8.358 1.00 3.22 C ATOM 545 O LEU A 35 36.871 -0.458 -9.172 1.00 3.17 O ATOM 546 CB LEU A 35 37.869 -3.433 -8.149 1.00 3.73 C ATOM 547 CG LEU A 35 38.703 -4.704 -8.322 1.00 4.04 C ATOM 548 CD1 LEU A 35 38.058 -5.868 -7.588 1.00 4.24 C ATOM 549 CD2 LEU A 35 38.874 -5.035 -9.798 1.00 4.42 C ATOM 0 H LEU A 35 40.165 -2.759 -7.597 1.00 3.97 H new ATOM 0 HA LEU A 35 38.539 -2.242 -9.808 1.00 3.73 H new ATOM 0 HB2 LEU A 35 37.683 -3.280 -7.086 1.00 3.73 H new ATOM 0 HB3 LEU A 35 36.900 -3.585 -8.624 1.00 3.73 H new ATOM 0 HG LEU A 35 39.689 -4.528 -7.892 1.00 4.04 H new ATOM 0 HD11 LEU A 35 38.665 -6.764 -7.722 1.00 4.24 H new ATOM 0 HD12 LEU A 35 37.986 -5.634 -6.526 1.00 4.24 H new ATOM 0 HD13 LEU A 35 37.060 -6.043 -7.989 1.00 4.24 H new ATOM 0 HD21 LEU A 35 39.470 -5.942 -9.901 1.00 4.42 H new ATOM 0 HD22 LEU A 35 37.895 -5.190 -10.252 1.00 4.42 H new ATOM 0 HD23 LEU A 35 39.380 -4.210 -10.300 1.00 4.42 H new ATOM 561 N PHE A 36 37.820 -0.464 -7.131 1.00 2.92 N ATOM 562 CA PHE A 36 37.072 0.692 -6.653 1.00 2.53 C ATOM 563 C PHE A 36 37.625 1.991 -7.236 1.00 2.79 C ATOM 564 O PHE A 36 36.912 2.989 -7.331 1.00 2.71 O ATOM 565 CB PHE A 36 37.095 0.743 -5.125 1.00 2.33 C ATOM 566 CG PHE A 36 36.362 -0.400 -4.482 1.00 2.64 C ATOM 567 CD1 PHE A 36 34.997 -0.323 -4.255 1.00 3.18 C ATOM 568 CD2 PHE A 36 37.034 -1.552 -4.107 1.00 2.74 C ATOM 569 CE1 PHE A 36 34.316 -1.372 -3.668 1.00 3.84 C ATOM 570 CE2 PHE A 36 36.359 -2.605 -3.518 1.00 3.25 C ATOM 571 CZ PHE A 36 34.998 -2.515 -3.299 1.00 3.84 C ATOM 0 H PHE A 36 38.468 -0.857 -6.448 1.00 2.92 H new ATOM 0 HA PHE A 36 36.040 0.587 -6.989 1.00 2.53 H new ATOM 0 HB2 PHE A 36 38.130 0.740 -4.784 1.00 2.33 H new ATOM 0 HB3 PHE A 36 36.653 1.682 -4.793 1.00 2.33 H new ATOM 0 HD1 PHE A 36 34.459 0.569 -4.541 1.00 3.18 H new ATOM 0 HD2 PHE A 36 38.098 -1.628 -4.277 1.00 2.74 H new ATOM 0 HE1 PHE A 36 33.252 -1.298 -3.498 1.00 3.84 H new ATOM 0 HE2 PHE A 36 36.895 -3.497 -3.229 1.00 3.25 H new ATOM 0 HZ PHE A 36 34.468 -3.337 -2.840 1.00 3.84 H new ATOM 581 N GLU A 37 38.898 1.971 -7.621 1.00 3.23 N ATOM 582 CA GLU A 37 39.544 3.150 -8.189 1.00 3.62 C ATOM 583 C GLU A 37 38.879 3.570 -9.497 1.00 3.69 C ATOM 584 O GLU A 37 38.940 4.735 -9.887 1.00 3.94 O ATOM 585 CB GLU A 37 41.032 2.881 -8.423 1.00 4.13 C ATOM 586 CG GLU A 37 41.849 2.840 -7.142 1.00 4.40 C ATOM 587 CD GLU A 37 43.290 2.430 -7.379 1.00 5.13 C ATOM 588 OE1 GLU A 37 43.999 3.151 -8.113 1.00 5.27 O ATOM 589 OE2 GLU A 37 43.708 1.387 -6.834 1.00 5.70 O ATOM 0 H GLU A 37 39.502 1.152 -7.550 1.00 3.23 H new ATOM 0 HA GLU A 37 39.436 3.966 -7.474 1.00 3.62 H new ATOM 0 HB2 GLU A 37 41.144 1.931 -8.946 1.00 4.13 H new ATOM 0 HB3 GLU A 37 41.435 3.655 -9.077 1.00 4.13 H new ATOM 0 HG2 GLU A 37 41.828 3.823 -6.671 1.00 4.40 H new ATOM 0 HG3 GLU A 37 41.387 2.142 -6.444 1.00 4.40 H new ATOM 596 N GLN A 38 38.242 2.615 -10.168 1.00 3.55 N ATOM 597 CA GLN A 38 37.568 2.889 -11.433 1.00 3.66 C ATOM 598 C GLN A 38 36.324 3.745 -11.220 1.00 3.45 C ATOM 599 O GLN A 38 35.715 4.219 -12.180 1.00 3.63 O ATOM 600 CB GLN A 38 37.184 1.582 -12.126 1.00 3.66 C ATOM 601 CG GLN A 38 38.356 0.637 -12.336 1.00 4.03 C ATOM 602 CD GLN A 38 37.966 -0.611 -13.103 1.00 4.19 C ATOM 603 OE1 GLN A 38 38.040 -0.647 -14.331 1.00 4.53 O ATOM 604 NE2 GLN A 38 37.545 -1.641 -12.381 1.00 4.12 N ATOM 0 H GLN A 38 38.178 1.646 -9.857 1.00 3.55 H new ATOM 0 HA GLN A 38 38.262 3.441 -12.067 1.00 3.66 H new ATOM 0 HB2 GLN A 38 36.422 1.076 -11.533 1.00 3.66 H new ATOM 0 HB3 GLN A 38 36.735 1.811 -13.093 1.00 3.66 H new ATOM 0 HG2 GLN A 38 39.147 1.159 -12.875 1.00 4.03 H new ATOM 0 HG3 GLN A 38 38.766 0.351 -11.367 1.00 4.03 H new ATOM 0 HE21 GLN A 38 37.500 -1.567 -11.365 1.00 4.12 H new ATOM 0 HE22 GLN A 38 37.267 -2.507 -12.842 1.00 4.12 H new ATOM 613 N TYR A 39 35.950 3.938 -9.960 1.00 3.16 N ATOM 614 CA TYR A 39 34.775 4.734 -9.628 1.00 3.09 C ATOM 615 C TYR A 39 35.167 6.138 -9.181 1.00 3.43 C ATOM 616 O TYR A 39 34.335 7.045 -9.160 1.00 3.70 O ATOM 617 CB TYR A 39 33.957 4.044 -8.534 1.00 2.67 C ATOM 618 CG TYR A 39 33.414 2.691 -8.942 1.00 2.49 C ATOM 619 CD1 TYR A 39 32.556 2.566 -10.028 1.00 2.65 C ATOM 620 CD2 TYR A 39 33.760 1.542 -8.243 1.00 2.40 C ATOM 621 CE1 TYR A 39 32.058 1.332 -10.404 1.00 2.74 C ATOM 622 CE2 TYR A 39 33.265 0.306 -8.613 1.00 2.52 C ATOM 623 CZ TYR A 39 32.416 0.206 -9.695 1.00 2.70 C ATOM 624 OH TYR A 39 31.923 -1.023 -10.067 1.00 3.03 O ATOM 0 H TYR A 39 36.443 3.555 -9.153 1.00 3.16 H new ATOM 0 HA TYR A 39 34.166 4.822 -10.527 1.00 3.09 H new ATOM 0 HB2 TYR A 39 34.580 3.923 -7.648 1.00 2.67 H new ATOM 0 HB3 TYR A 39 33.125 4.690 -8.253 1.00 2.67 H new ATOM 0 HD1 TYR A 39 32.274 3.446 -10.587 1.00 2.65 H new ATOM 0 HD2 TYR A 39 34.427 1.616 -7.397 1.00 2.40 H new ATOM 0 HE1 TYR A 39 31.391 1.251 -11.250 1.00 2.74 H new ATOM 0 HE2 TYR A 39 33.542 -0.578 -8.057 1.00 2.52 H new ATOM 0 HH TYR A 39 32.273 -1.712 -9.465 1.00 3.03 H new ATOM 634 N GLY A 40 36.437 6.315 -8.826 1.00 3.54 N ATOM 635 CA GLY A 40 36.906 7.619 -8.388 1.00 3.95 C ATOM 636 C GLY A 40 38.176 7.538 -7.565 1.00 4.02 C ATOM 637 O GLY A 40 38.912 6.553 -7.640 1.00 3.95 O ATOM 0 H GLY A 40 37.147 5.583 -8.834 1.00 3.54 H new ATOM 0 HA2 GLY A 40 37.083 8.249 -9.260 1.00 3.95 H new ATOM 0 HA3 GLY A 40 36.126 8.102 -7.799 1.00 3.95 H new ATOM 641 N ALA A 41 38.435 8.577 -6.775 1.00 4.22 N ATOM 642 CA ALA A 41 39.625 8.625 -5.936 1.00 4.36 C ATOM 643 C ALA A 41 39.356 8.025 -4.559 1.00 3.96 C ATOM 644 O ALA A 41 38.806 8.688 -3.677 1.00 3.97 O ATOM 645 CB ALA A 41 40.117 10.058 -5.803 1.00 4.90 C ATOM 0 H ALA A 41 37.834 9.398 -6.700 1.00 4.22 H new ATOM 0 HA ALA A 41 40.400 8.027 -6.415 1.00 4.36 H new ATOM 0 HB1 ALA A 41 41.007 10.080 -5.174 1.00 4.90 H new ATOM 0 HB2 ALA A 41 40.360 10.452 -6.790 1.00 4.90 H new ATOM 0 HB3 ALA A 41 39.337 10.670 -5.350 1.00 4.90 H new ATOM 651 N VAL A 42 39.748 6.767 -4.383 1.00 3.69 N ATOM 652 CA VAL A 42 39.556 6.073 -3.114 1.00 3.34 C ATOM 653 C VAL A 42 40.438 6.679 -2.026 1.00 3.70 C ATOM 654 O VAL A 42 41.272 7.543 -2.300 1.00 4.23 O ATOM 655 CB VAL A 42 39.871 4.570 -3.244 1.00 3.12 C ATOM 656 CG1 VAL A 42 38.975 3.926 -4.291 1.00 2.79 C ATOM 657 CG2 VAL A 42 41.339 4.354 -3.584 1.00 3.91 C ATOM 0 H VAL A 42 40.201 6.206 -5.105 1.00 3.69 H new ATOM 0 HA VAL A 42 38.508 6.191 -2.838 1.00 3.34 H new ATOM 0 HB VAL A 42 39.673 4.094 -2.284 1.00 3.12 H new ATOM 0 HG11 VAL A 42 39.211 2.865 -4.369 1.00 2.79 H new ATOM 0 HG12 VAL A 42 37.931 4.045 -4.000 1.00 2.79 H new ATOM 0 HG13 VAL A 42 39.139 4.406 -5.256 1.00 2.79 H new ATOM 0 HG21 VAL A 42 41.539 3.286 -3.671 1.00 3.91 H new ATOM 0 HG22 VAL A 42 41.569 4.845 -4.530 1.00 3.91 H new ATOM 0 HG23 VAL A 42 41.961 4.777 -2.795 1.00 3.91 H new ATOM 667 N TYR A 43 40.249 6.225 -0.790 1.00 3.46 N ATOM 668 CA TYR A 43 41.031 6.731 0.334 1.00 3.81 C ATOM 669 C TYR A 43 41.346 5.620 1.330 1.00 3.64 C ATOM 670 O TYR A 43 42.511 5.354 1.628 1.00 3.92 O ATOM 671 CB TYR A 43 40.279 7.865 1.037 1.00 4.02 C ATOM 672 CG TYR A 43 41.066 8.520 2.150 1.00 4.43 C ATOM 673 CD1 TYR A 43 41.979 9.532 1.878 1.00 4.86 C ATOM 674 CD2 TYR A 43 40.893 8.130 3.472 1.00 4.46 C ATOM 675 CE1 TYR A 43 42.699 10.134 2.892 1.00 5.24 C ATOM 676 CE2 TYR A 43 41.610 8.728 4.491 1.00 4.87 C ATOM 677 CZ TYR A 43 42.511 9.728 4.196 1.00 5.22 C ATOM 678 OH TYR A 43 43.227 10.326 5.208 1.00 5.63 O ATOM 0 H TYR A 43 39.564 5.511 -0.542 1.00 3.46 H new ATOM 0 HA TYR A 43 41.972 7.115 -0.059 1.00 3.81 H new ATOM 0 HB2 TYR A 43 40.010 8.622 0.300 1.00 4.02 H new ATOM 0 HB3 TYR A 43 39.348 7.473 1.445 1.00 4.02 H new ATOM 0 HD1 TYR A 43 42.128 9.853 0.858 1.00 4.86 H new ATOM 0 HD2 TYR A 43 40.187 7.347 3.707 1.00 4.46 H new ATOM 0 HE1 TYR A 43 43.405 10.919 2.664 1.00 5.24 H new ATOM 0 HE2 TYR A 43 41.465 8.413 5.514 1.00 4.87 H new ATOM 0 HH TYR A 43 42.976 9.926 6.067 1.00 5.63 H new ATOM 688 N GLU A 44 40.305 4.972 1.843 1.00 3.26 N ATOM 689 CA GLU A 44 40.482 3.893 2.810 1.00 3.20 C ATOM 690 C GLU A 44 39.607 2.694 2.461 1.00 2.81 C ATOM 691 O GLU A 44 38.397 2.826 2.281 1.00 2.54 O ATOM 692 CB GLU A 44 40.152 4.387 4.221 1.00 3.40 C ATOM 693 CG GLU A 44 40.298 3.318 5.292 1.00 3.50 C ATOM 694 CD GLU A 44 41.725 2.832 5.443 1.00 4.22 C ATOM 695 OE1 GLU A 44 42.117 1.898 4.712 1.00 4.91 O ATOM 696 OE2 GLU A 44 42.453 3.386 6.293 1.00 4.36 O ATOM 0 H GLU A 44 39.333 5.174 1.607 1.00 3.26 H new ATOM 0 HA GLU A 44 41.525 3.577 2.775 1.00 3.20 H new ATOM 0 HB2 GLU A 44 40.805 5.225 4.465 1.00 3.40 H new ATOM 0 HB3 GLU A 44 39.130 4.765 4.234 1.00 3.40 H new ATOM 0 HG2 GLU A 44 39.951 3.716 6.246 1.00 3.50 H new ATOM 0 HG3 GLU A 44 39.655 2.473 5.046 1.00 3.50 H new ATOM 703 N ILE A 45 40.232 1.523 2.367 1.00 2.90 N ATOM 704 CA ILE A 45 39.512 0.299 2.046 1.00 2.73 C ATOM 705 C ILE A 45 39.851 -0.818 3.025 1.00 3.01 C ATOM 706 O ILE A 45 41.021 -1.100 3.285 1.00 3.32 O ATOM 707 CB ILE A 45 39.828 -0.182 0.622 1.00 2.75 C ATOM 708 CG1 ILE A 45 39.258 0.795 -0.405 1.00 2.52 C ATOM 709 CG2 ILE A 45 39.267 -1.582 0.409 1.00 2.81 C ATOM 710 CD1 ILE A 45 39.784 0.582 -1.807 1.00 2.72 C ATOM 0 H ILE A 45 41.234 1.398 2.509 1.00 2.90 H new ATOM 0 HA ILE A 45 38.451 0.536 2.120 1.00 2.73 H new ATOM 0 HB ILE A 45 40.909 -0.220 0.491 1.00 2.75 H new ATOM 0 HG12 ILE A 45 38.172 0.703 -0.416 1.00 2.52 H new ATOM 0 HG13 ILE A 45 39.488 1.813 -0.091 1.00 2.52 H new ATOM 0 HG21 ILE A 45 39.496 -1.915 -0.603 1.00 2.81 H new ATOM 0 HG22 ILE A 45 39.717 -2.267 1.127 1.00 2.81 H new ATOM 0 HG23 ILE A 45 38.186 -1.566 0.551 1.00 2.81 H new ATOM 0 HD11 ILE A 45 39.334 1.313 -2.479 1.00 2.72 H new ATOM 0 HD12 ILE A 45 40.867 0.703 -1.812 1.00 2.72 H new ATOM 0 HD13 ILE A 45 39.530 -0.424 -2.142 1.00 2.72 H new ATOM 722 N ASN A 46 38.815 -1.450 3.561 1.00 2.98 N ATOM 723 CA ASN A 46 38.991 -2.541 4.507 1.00 3.34 C ATOM 724 C ASN A 46 38.079 -3.714 4.168 1.00 3.49 C ATOM 725 O ASN A 46 36.886 -3.531 3.923 1.00 3.30 O ATOM 726 CB ASN A 46 38.695 -2.055 5.919 1.00 3.44 C ATOM 727 CG ASN A 46 39.720 -1.057 6.419 1.00 3.89 C ATOM 728 OD1 ASN A 46 39.579 0.150 6.217 1.00 4.29 O ATOM 729 ND2 ASN A 46 40.761 -1.555 7.077 1.00 4.16 N ATOM 0 H ASN A 46 37.842 -1.224 3.355 1.00 2.98 H new ATOM 0 HA ASN A 46 40.025 -2.880 4.445 1.00 3.34 H new ATOM 0 HB2 ASN A 46 37.706 -1.597 5.942 1.00 3.44 H new ATOM 0 HB3 ASN A 46 38.666 -2.910 6.595 1.00 3.44 H new ATOM 0 HD21 ASN A 46 41.483 -0.931 7.437 1.00 4.16 H new ATOM 0 HD22 ASN A 46 40.839 -2.562 7.222 1.00 4.16 H new ATOM 736 N VAL A 47 38.642 -4.915 4.154 1.00 3.90 N ATOM 737 CA VAL A 47 37.869 -6.115 3.864 1.00 4.21 C ATOM 738 C VAL A 47 37.766 -6.982 5.107 1.00 4.58 C ATOM 739 O VAL A 47 38.750 -7.176 5.820 1.00 4.76 O ATOM 740 CB VAL A 47 38.490 -6.942 2.724 1.00 4.49 C ATOM 741 CG1 VAL A 47 37.471 -7.924 2.167 1.00 4.76 C ATOM 742 CG2 VAL A 47 39.022 -6.032 1.627 1.00 4.27 C ATOM 0 H VAL A 47 39.631 -5.084 4.340 1.00 3.90 H new ATOM 0 HA VAL A 47 36.878 -5.790 3.547 1.00 4.21 H new ATOM 0 HB VAL A 47 39.329 -7.510 3.126 1.00 4.49 H new ATOM 0 HG11 VAL A 47 37.925 -8.502 1.362 1.00 4.76 H new ATOM 0 HG12 VAL A 47 37.146 -8.599 2.959 1.00 4.76 H new ATOM 0 HG13 VAL A 47 36.611 -7.376 1.781 1.00 4.76 H new ATOM 0 HG21 VAL A 47 39.457 -6.637 0.831 1.00 4.27 H new ATOM 0 HG22 VAL A 47 38.206 -5.433 1.223 1.00 4.27 H new ATOM 0 HG23 VAL A 47 39.786 -5.373 2.040 1.00 4.27 H new ATOM 752 N LEU A 48 36.574 -7.504 5.367 1.00 4.75 N ATOM 753 CA LEU A 48 36.362 -8.332 6.545 1.00 5.16 C ATOM 754 C LEU A 48 36.504 -9.809 6.233 1.00 5.98 C ATOM 755 O LEU A 48 36.247 -10.264 5.118 1.00 6.68 O ATOM 756 CB LEU A 48 34.996 -8.056 7.173 1.00 5.21 C ATOM 757 CG LEU A 48 34.827 -6.652 7.754 1.00 4.88 C ATOM 758 CD1 LEU A 48 35.952 -6.320 8.724 1.00 4.66 C ATOM 759 CD2 LEU A 48 34.783 -5.633 6.636 1.00 4.67 C ATOM 0 H LEU A 48 35.748 -7.370 4.784 1.00 4.75 H new ATOM 0 HA LEU A 48 37.138 -8.065 7.262 1.00 5.16 H new ATOM 0 HB2 LEU A 48 34.226 -8.216 6.418 1.00 5.21 H new ATOM 0 HB3 LEU A 48 34.822 -8.785 7.965 1.00 5.21 H new ATOM 0 HG LEU A 48 33.887 -6.621 8.305 1.00 4.88 H new ATOM 0 HD11 LEU A 48 35.805 -5.316 9.121 1.00 4.66 H new ATOM 0 HD12 LEU A 48 35.949 -7.038 9.544 1.00 4.66 H new ATOM 0 HD13 LEU A 48 36.908 -6.368 8.203 1.00 4.66 H new ATOM 0 HD21 LEU A 48 34.662 -4.635 7.058 1.00 4.67 H new ATOM 0 HD22 LEU A 48 35.712 -5.677 6.067 1.00 4.67 H new ATOM 0 HD23 LEU A 48 33.943 -5.852 5.977 1.00 4.67 H new ATOM 771 N ARG A 49 36.920 -10.542 7.252 1.00 6.10 N ATOM 772 CA ARG A 49 37.134 -11.984 7.150 1.00 6.94 C ATOM 773 C ARG A 49 37.448 -12.589 8.519 1.00 7.60 C ATOM 774 O ARG A 49 37.011 -13.696 8.831 1.00 7.80 O ATOM 775 CB ARG A 49 38.275 -12.292 6.173 1.00 7.01 C ATOM 776 CG ARG A 49 39.600 -11.635 6.529 1.00 6.73 C ATOM 777 CD ARG A 49 39.640 -10.170 6.116 1.00 6.74 C ATOM 778 NE ARG A 49 40.923 -9.549 6.431 1.00 6.98 N ATOM 779 CZ ARG A 49 41.625 -8.825 5.565 1.00 7.61 C ATOM 780 NH1 ARG A 49 41.177 -8.643 4.330 1.00 8.05 N ATOM 781 NH2 ARG A 49 42.779 -8.285 5.933 1.00 8.04 N ATOM 0 H ARG A 49 37.120 -10.158 8.176 1.00 6.10 H new ATOM 0 HA ARG A 49 36.214 -12.431 6.774 1.00 6.94 H new ATOM 0 HB2 ARG A 49 38.419 -13.372 6.129 1.00 7.01 H new ATOM 0 HB3 ARG A 49 37.980 -11.969 5.175 1.00 7.01 H new ATOM 0 HG2 ARG A 49 39.766 -11.713 7.603 1.00 6.73 H new ATOM 0 HG3 ARG A 49 40.413 -12.172 6.041 1.00 6.73 H new ATOM 0 HD2 ARG A 49 39.451 -10.090 5.045 1.00 6.74 H new ATOM 0 HD3 ARG A 49 38.841 -9.628 6.622 1.00 6.74 H new ATOM 0 HE ARG A 49 41.302 -9.678 7.369 1.00 6.98 H new ATOM 0 HH11 ARG A 49 40.291 -9.059 4.042 1.00 8.05 H new ATOM 0 HH12 ARG A 49 41.718 -8.087 3.668 1.00 8.05 H new ATOM 0 HH21 ARG A 49 43.128 -8.425 6.881 1.00 8.04 H new ATOM 0 HH22 ARG A 49 43.317 -7.730 5.268 1.00 8.04 H new ATOM 795 N ASP A 50 38.222 -11.854 9.313 1.00 8.17 N ATOM 796 CA ASP A 50 38.613 -12.275 10.659 1.00 8.93 C ATOM 797 C ASP A 50 39.624 -13.419 10.615 1.00 10.00 C ATOM 798 O ASP A 50 39.265 -14.590 10.746 1.00 10.66 O ATOM 799 CB ASP A 50 37.388 -12.681 11.482 1.00 8.92 C ATOM 800 CG ASP A 50 37.745 -13.051 12.909 1.00 9.49 C ATOM 801 OD1 ASP A 50 38.098 -14.225 13.148 1.00 10.05 O ATOM 802 OD2 ASP A 50 37.672 -12.167 13.788 1.00 9.56 O ATOM 0 H ASP A 50 38.598 -10.946 9.042 1.00 8.17 H new ATOM 0 HA ASP A 50 39.089 -11.422 11.142 1.00 8.93 H new ATOM 0 HB2 ASP A 50 36.672 -11.859 11.491 1.00 8.92 H new ATOM 0 HB3 ASP A 50 36.896 -13.527 11.003 1.00 8.92 H new ATOM 807 N ARG A 51 40.895 -13.058 10.434 1.00 10.35 N ATOM 808 CA ARG A 51 41.992 -14.021 10.373 1.00 11.49 C ATOM 809 C ARG A 51 41.734 -15.149 9.370 1.00 12.18 C ATOM 810 O ARG A 51 42.480 -16.127 9.322 1.00 13.08 O ATOM 811 CB ARG A 51 42.247 -14.593 11.764 1.00 11.98 C ATOM 812 CG ARG A 51 42.458 -13.516 12.814 1.00 11.65 C ATOM 813 CD ARG A 51 43.797 -12.816 12.638 1.00 12.32 C ATOM 814 NE ARG A 51 43.987 -11.745 13.611 1.00 13.34 N ATOM 815 CZ ARG A 51 45.008 -10.893 13.582 1.00 14.19 C ATOM 816 NH1 ARG A 51 45.934 -10.993 12.637 1.00 14.21 N ATOM 817 NH2 ARG A 51 45.104 -9.941 14.499 1.00 15.15 N ATOM 0 H ARG A 51 41.192 -12.088 10.326 1.00 10.35 H new ATOM 0 HA ARG A 51 42.876 -13.489 10.022 1.00 11.49 H new ATOM 0 HB2 ARG A 51 41.403 -15.218 12.055 1.00 11.98 H new ATOM 0 HB3 ARG A 51 43.125 -15.239 11.731 1.00 11.98 H new ATOM 0 HG2 ARG A 51 41.653 -12.784 12.751 1.00 11.65 H new ATOM 0 HG3 ARG A 51 42.407 -13.961 13.808 1.00 11.65 H new ATOM 0 HD2 ARG A 51 44.602 -13.544 12.738 1.00 12.32 H new ATOM 0 HD3 ARG A 51 43.862 -12.406 11.630 1.00 12.32 H new ATOM 0 HE ARG A 51 43.297 -11.644 14.356 1.00 13.34 H new ATOM 0 HH11 ARG A 51 45.864 -11.725 11.930 1.00 14.21 H new ATOM 0 HH12 ARG A 51 46.716 -10.338 12.618 1.00 14.21 H new ATOM 0 HH21 ARG A 51 44.395 -9.861 15.228 1.00 15.15 H new ATOM 0 HH22 ARG A 51 45.887 -9.288 14.476 1.00 15.15 H new ATOM 831 N SER A 52 40.677 -14.997 8.573 1.00 11.87 N ATOM 832 CA SER A 52 40.309 -15.985 7.560 1.00 12.68 C ATOM 833 C SER A 52 40.403 -17.416 8.091 1.00 13.26 C ATOM 834 O SER A 52 40.975 -18.287 7.439 1.00 14.27 O ATOM 835 CB SER A 52 41.200 -15.830 6.325 1.00 13.39 C ATOM 836 OG SER A 52 42.562 -16.051 6.646 1.00 13.55 O ATOM 0 H SER A 52 40.055 -14.190 8.611 1.00 11.87 H new ATOM 0 HA SER A 52 39.269 -15.801 7.289 1.00 12.68 H new ATOM 0 HB2 SER A 52 40.886 -16.535 5.556 1.00 13.39 H new ATOM 0 HB3 SER A 52 41.079 -14.830 5.909 1.00 13.39 H new ATOM 0 HG SER A 52 42.628 -16.440 7.543 1.00 13.55 H new ATOM 842 N GLN A 53 39.832 -17.658 9.267 1.00 12.75 N ATOM 843 CA GLN A 53 39.859 -18.990 9.859 1.00 13.40 C ATOM 844 C GLN A 53 38.637 -19.776 9.414 1.00 13.68 C ATOM 845 O GLN A 53 38.026 -19.453 8.397 1.00 13.65 O ATOM 846 CB GLN A 53 39.899 -18.898 11.385 1.00 13.00 C ATOM 847 CG GLN A 53 40.631 -17.675 11.904 1.00 12.36 C ATOM 848 CD GLN A 53 40.795 -17.694 13.411 1.00 12.33 C ATOM 849 OE1 GLN A 53 41.786 -18.204 13.933 1.00 12.42 O ATOM 850 NE2 GLN A 53 39.819 -17.139 14.120 1.00 12.38 N ATOM 0 H GLN A 53 39.348 -16.954 9.825 1.00 12.75 H new ATOM 0 HA GLN A 53 40.758 -19.505 9.522 1.00 13.40 H new ATOM 0 HB2 GLN A 53 38.878 -18.888 11.766 1.00 13.00 H new ATOM 0 HB3 GLN A 53 40.379 -19.793 11.782 1.00 13.00 H new ATOM 0 HG2 GLN A 53 41.613 -17.617 11.435 1.00 12.36 H new ATOM 0 HG3 GLN A 53 40.085 -16.778 11.612 1.00 12.36 H new ATOM 0 HE21 GLN A 53 39.015 -16.727 13.646 1.00 12.38 H new ATOM 0 HE22 GLN A 53 39.873 -17.124 15.138 1.00 12.38 H new ATOM 859 N ASN A 54 38.272 -20.804 10.173 1.00 14.10 N ATOM 860 CA ASN A 54 37.105 -21.604 9.833 1.00 14.53 C ATOM 861 C ASN A 54 35.833 -20.994 10.426 1.00 13.85 C ATOM 862 O ASN A 54 34.864 -20.765 9.702 1.00 13.42 O ATOM 863 CB ASN A 54 37.283 -23.056 10.284 1.00 15.46 C ATOM 864 CG ASN A 54 38.329 -23.793 9.471 1.00 16.16 C ATOM 865 OD1 ASN A 54 38.539 -23.500 8.293 1.00 16.77 O ATOM 866 ND2 ASN A 54 38.991 -24.759 10.097 1.00 16.22 N ATOM 0 H ASN A 54 38.762 -21.099 11.018 1.00 14.10 H new ATOM 0 HA ASN A 54 37.002 -21.604 8.748 1.00 14.53 H new ATOM 0 HB2 ASN A 54 37.567 -23.074 11.336 1.00 15.46 H new ATOM 0 HB3 ASN A 54 36.330 -23.578 10.202 1.00 15.46 H new ATOM 0 HD21 ASN A 54 39.706 -25.292 9.601 1.00 16.22 H new ATOM 0 HD22 ASN A 54 38.785 -24.968 11.074 1.00 16.22 H new ATOM 873 N PRO A 55 35.807 -20.719 11.750 1.00 13.90 N ATOM 874 CA PRO A 55 34.640 -20.103 12.396 1.00 13.47 C ATOM 875 C PRO A 55 34.173 -18.803 11.715 1.00 12.33 C ATOM 876 O PRO A 55 32.971 -18.549 11.637 1.00 11.94 O ATOM 877 CB PRO A 55 35.130 -19.809 13.817 1.00 13.78 C ATOM 878 CG PRO A 55 36.219 -20.794 14.055 1.00 14.58 C ATOM 879 CD PRO A 55 36.884 -21.007 12.725 1.00 14.57 C ATOM 0 HA PRO A 55 33.773 -20.762 12.347 1.00 13.47 H new ATOM 0 HB2 PRO A 55 35.496 -18.786 13.906 1.00 13.78 H new ATOM 0 HB3 PRO A 55 34.326 -19.924 14.544 1.00 13.78 H new ATOM 0 HG2 PRO A 55 36.930 -20.419 14.791 1.00 14.58 H new ATOM 0 HG3 PRO A 55 35.820 -21.730 14.446 1.00 14.58 H new ATOM 0 HD2 PRO A 55 37.736 -20.340 12.591 1.00 14.57 H new ATOM 0 HD3 PRO A 55 37.257 -22.026 12.621 1.00 14.57 H new ATOM 887 N PRO A 56 35.104 -17.958 11.210 1.00 11.90 N ATOM 888 CA PRO A 56 34.769 -16.703 10.561 1.00 10.89 C ATOM 889 C PRO A 56 34.663 -16.824 9.042 1.00 10.43 C ATOM 890 O PRO A 56 33.558 -16.835 8.499 1.00 10.34 O ATOM 891 CB PRO A 56 35.937 -15.809 10.957 1.00 11.10 C ATOM 892 CG PRO A 56 37.084 -16.735 11.215 1.00 12.06 C ATOM 893 CD PRO A 56 36.551 -18.139 11.219 1.00 12.52 C ATOM 0 HA PRO A 56 33.792 -16.327 10.864 1.00 10.89 H new ATOM 0 HB2 PRO A 56 36.176 -15.101 10.163 1.00 11.10 H new ATOM 0 HB3 PRO A 56 35.699 -15.223 11.845 1.00 11.10 H new ATOM 0 HG2 PRO A 56 37.848 -16.619 10.447 1.00 12.06 H new ATOM 0 HG3 PRO A 56 37.555 -16.503 12.170 1.00 12.06 H new ATOM 0 HD2 PRO A 56 36.890 -18.699 10.347 1.00 12.52 H new ATOM 0 HD3 PRO A 56 36.880 -18.690 12.100 1.00 12.52 H new ATOM 901 N GLN A 57 35.815 -16.889 8.364 1.00 10.30 N ATOM 902 CA GLN A 57 35.855 -17.018 6.907 1.00 10.00 C ATOM 903 C GLN A 57 35.467 -15.707 6.240 1.00 8.88 C ATOM 904 O GLN A 57 34.544 -15.020 6.681 1.00 8.54 O ATOM 905 CB GLN A 57 34.940 -18.144 6.416 1.00 10.45 C ATOM 906 CG GLN A 57 35.479 -19.540 6.680 1.00 11.57 C ATOM 907 CD GLN A 57 36.607 -19.917 5.738 1.00 12.05 C ATOM 908 OE1 GLN A 57 37.489 -20.801 6.191 1.00 11.79 O flip ATOM 909 NE2 GLN A 57 36.681 -19.426 4.612 1.00 12.91 N flip ATOM 0 H GLN A 57 36.734 -16.854 8.805 1.00 10.30 H new ATOM 0 HA GLN A 57 36.879 -17.268 6.631 1.00 10.00 H new ATOM 0 HB2 GLN A 57 33.968 -18.044 6.898 1.00 10.45 H new ATOM 0 HB3 GLN A 57 34.778 -18.025 5.345 1.00 10.45 H new ATOM 0 HG2 GLN A 57 35.834 -19.600 7.709 1.00 11.57 H new ATOM 0 HG3 GLN A 57 34.670 -20.263 6.580 1.00 11.57 H new ATOM 0 HE21 GLN A 57 35.982 -18.750 4.303 1.00 12.91 H new ATOM 0 HE22 GLN A 57 37.441 -19.695 3.987 1.00 12.91 H new ATOM 918 N SER A 58 36.184 -15.370 5.176 1.00 8.48 N ATOM 919 CA SER A 58 35.931 -14.142 4.435 1.00 7.48 C ATOM 920 C SER A 58 34.466 -14.039 4.033 1.00 7.24 C ATOM 921 O SER A 58 34.002 -14.750 3.139 1.00 7.69 O ATOM 922 CB SER A 58 36.826 -14.090 3.199 1.00 7.67 C ATOM 923 OG SER A 58 36.511 -15.136 2.295 1.00 7.71 O ATOM 0 H SER A 58 36.949 -15.933 4.806 1.00 8.48 H new ATOM 0 HA SER A 58 36.162 -13.295 5.080 1.00 7.48 H new ATOM 0 HB2 SER A 58 36.708 -13.127 2.701 1.00 7.67 H new ATOM 0 HB3 SER A 58 37.871 -14.168 3.500 1.00 7.67 H new ATOM 0 HG SER A 58 35.543 -15.291 2.298 1.00 7.71 H new ATOM 929 N LYS A 59 33.742 -13.147 4.700 1.00 6.67 N ATOM 930 CA LYS A 59 32.324 -12.949 4.422 1.00 6.51 C ATOM 931 C LYS A 59 32.119 -12.205 3.106 1.00 6.29 C ATOM 932 O LYS A 59 30.989 -11.894 2.726 1.00 6.35 O ATOM 933 CB LYS A 59 31.667 -12.183 5.570 1.00 6.45 C ATOM 934 CG LYS A 59 32.372 -10.879 5.909 1.00 6.21 C ATOM 935 CD LYS A 59 32.479 -10.676 7.412 1.00 6.05 C ATOM 936 CE LYS A 59 33.413 -11.691 8.050 1.00 6.48 C ATOM 937 NZ LYS A 59 33.545 -11.481 9.518 1.00 6.59 N ATOM 0 H LYS A 59 34.114 -12.549 5.438 1.00 6.67 H new ATOM 0 HA LYS A 59 31.855 -13.929 4.331 1.00 6.51 H new ATOM 0 HB2 LYS A 59 30.631 -11.969 5.308 1.00 6.45 H new ATOM 0 HB3 LYS A 59 31.648 -12.818 6.456 1.00 6.45 H new ATOM 0 HG2 LYS A 59 33.369 -10.879 5.469 1.00 6.21 H new ATOM 0 HG3 LYS A 59 31.828 -10.045 5.466 1.00 6.21 H new ATOM 0 HD2 LYS A 59 32.840 -9.669 7.619 1.00 6.05 H new ATOM 0 HD3 LYS A 59 31.490 -10.758 7.862 1.00 6.05 H new ATOM 0 HE2 LYS A 59 33.040 -12.697 7.860 1.00 6.48 H new ATOM 0 HE3 LYS A 59 34.396 -11.622 7.584 1.00 6.48 H new ATOM 0 HZ1 LYS A 59 34.190 -12.194 9.914 1.00 6.59 H new ATOM 0 HZ2 LYS A 59 33.926 -10.530 9.700 1.00 6.59 H new ATOM 0 HZ3 LYS A 59 32.611 -11.572 9.967 1.00 6.59 H new ATOM 951 N GLY A 60 33.220 -11.924 2.414 1.00 6.22 N ATOM 952 CA GLY A 60 33.146 -11.224 1.145 1.00 6.09 C ATOM 953 C GLY A 60 32.523 -9.850 1.272 1.00 5.44 C ATOM 954 O GLY A 60 31.711 -9.451 0.444 1.00 5.15 O ATOM 0 H GLY A 60 34.164 -12.170 2.711 1.00 6.22 H new ATOM 0 HA2 GLY A 60 34.149 -11.127 0.729 1.00 6.09 H new ATOM 0 HA3 GLY A 60 32.565 -11.818 0.440 1.00 6.09 H new ATOM 958 N CYS A 61 32.922 -9.114 2.299 1.00 5.25 N ATOM 959 CA CYS A 61 32.389 -7.780 2.535 1.00 4.69 C ATOM 960 C CYS A 61 33.514 -6.760 2.592 1.00 4.28 C ATOM 961 O CYS A 61 34.537 -6.983 3.239 1.00 4.52 O ATOM 962 CB CYS A 61 31.588 -7.748 3.837 1.00 4.94 C ATOM 963 SG CYS A 61 31.123 -6.086 4.377 1.00 5.62 S ATOM 0 H CYS A 61 33.614 -9.419 2.983 1.00 5.25 H new ATOM 0 HA CYS A 61 31.726 -7.525 1.708 1.00 4.69 H new ATOM 0 HB2 CYS A 61 30.684 -8.343 3.710 1.00 4.94 H new ATOM 0 HB3 CYS A 61 32.174 -8.223 4.623 1.00 4.94 H new ATOM 0 HG CYS A 61 29.869 -5.876 4.104 1.00 5.62 H new ATOM 969 N CYS A 62 33.318 -5.641 1.909 1.00 3.72 N ATOM 970 CA CYS A 62 34.326 -4.590 1.865 1.00 3.34 C ATOM 971 C CYS A 62 33.689 -3.206 1.819 1.00 2.85 C ATOM 972 O CYS A 62 32.699 -2.991 1.119 1.00 2.73 O ATOM 973 CB CYS A 62 35.225 -4.791 0.643 1.00 3.28 C ATOM 974 SG CYS A 62 34.396 -5.566 -0.764 1.00 2.98 S ATOM 0 H CYS A 62 32.471 -5.437 1.378 1.00 3.72 H new ATOM 0 HA CYS A 62 34.922 -4.653 2.776 1.00 3.34 H new ATOM 0 HB2 CYS A 62 35.618 -3.823 0.331 1.00 3.28 H new ATOM 0 HB3 CYS A 62 36.079 -5.404 0.931 1.00 3.28 H new ATOM 0 HG CYS A 62 35.237 -5.691 -1.748 1.00 2.98 H new ATOM 980 N PHE A 63 34.265 -2.266 2.568 1.00 2.68 N ATOM 981 CA PHE A 63 33.761 -0.898 2.593 1.00 2.38 C ATOM 982 C PHE A 63 34.873 0.084 2.235 1.00 2.10 C ATOM 983 O PHE A 63 35.990 -0.013 2.744 1.00 2.27 O ATOM 984 CB PHE A 63 33.147 -0.555 3.957 1.00 2.72 C ATOM 985 CG PHE A 63 34.100 -0.633 5.118 1.00 3.01 C ATOM 986 CD1 PHE A 63 34.291 -1.827 5.796 1.00 3.36 C ATOM 987 CD2 PHE A 63 34.789 0.492 5.541 1.00 3.06 C ATOM 988 CE1 PHE A 63 35.155 -1.897 6.872 1.00 3.65 C ATOM 989 CE2 PHE A 63 35.652 0.428 6.619 1.00 3.39 C ATOM 990 CZ PHE A 63 35.835 -0.768 7.285 1.00 3.65 C ATOM 0 H PHE A 63 35.078 -2.428 3.163 1.00 2.68 H new ATOM 0 HA PHE A 63 32.971 -0.815 1.847 1.00 2.38 H new ATOM 0 HB2 PHE A 63 32.735 0.453 3.911 1.00 2.72 H new ATOM 0 HB3 PHE A 63 32.313 -1.231 4.144 1.00 2.72 H new ATOM 0 HD1 PHE A 63 33.759 -2.712 5.480 1.00 3.36 H new ATOM 0 HD2 PHE A 63 34.650 1.429 5.023 1.00 3.06 H new ATOM 0 HE1 PHE A 63 35.299 -2.834 7.390 1.00 3.65 H new ATOM 0 HE2 PHE A 63 36.183 1.312 6.940 1.00 3.39 H new ATOM 0 HZ PHE A 63 36.509 -0.820 8.127 1.00 3.65 H new ATOM 1000 N VAL A 64 34.557 1.027 1.350 1.00 1.83 N ATOM 1001 CA VAL A 64 35.533 2.012 0.895 1.00 1.80 C ATOM 1002 C VAL A 64 35.038 3.442 1.092 1.00 1.98 C ATOM 1003 O VAL A 64 33.843 3.722 0.991 1.00 2.06 O ATOM 1004 CB VAL A 64 35.885 1.802 -0.595 1.00 1.69 C ATOM 1005 CG1 VAL A 64 34.624 1.727 -1.437 1.00 1.96 C ATOM 1006 CG2 VAL A 64 36.799 2.909 -1.102 1.00 2.19 C ATOM 0 H VAL A 64 33.631 1.129 0.934 1.00 1.83 H new ATOM 0 HA VAL A 64 36.425 1.865 1.505 1.00 1.80 H new ATOM 0 HB VAL A 64 36.418 0.855 -0.684 1.00 1.69 H new ATOM 0 HG11 VAL A 64 34.893 1.579 -2.483 1.00 1.96 H new ATOM 0 HG12 VAL A 64 34.010 0.893 -1.099 1.00 1.96 H new ATOM 0 HG13 VAL A 64 34.062 2.656 -1.335 1.00 1.96 H new ATOM 0 HG21 VAL A 64 37.031 2.737 -2.153 1.00 2.19 H new ATOM 0 HG22 VAL A 64 36.299 3.872 -0.994 1.00 2.19 H new ATOM 0 HG23 VAL A 64 37.722 2.912 -0.523 1.00 2.19 H new ATOM 1016 N THR A 65 35.977 4.339 1.374 1.00 2.26 N ATOM 1017 CA THR A 65 35.673 5.748 1.567 1.00 2.63 C ATOM 1018 C THR A 65 36.489 6.577 0.583 1.00 2.83 C ATOM 1019 O THR A 65 37.691 6.357 0.425 1.00 2.93 O ATOM 1020 CB THR A 65 35.990 6.200 3.007 1.00 3.06 C ATOM 1021 OG1 THR A 65 35.256 5.404 3.943 1.00 3.07 O ATOM 1022 CG2 THR A 65 35.645 7.670 3.207 1.00 3.50 C ATOM 0 H THR A 65 36.966 4.109 1.474 1.00 2.26 H new ATOM 0 HA THR A 65 34.607 5.896 1.393 1.00 2.63 H new ATOM 0 HB THR A 65 37.059 6.069 3.175 1.00 3.06 H new ATOM 0 HG1 THR A 65 35.464 5.696 4.855 1.00 3.07 H new ATOM 0 HG21 THR A 65 35.878 7.962 4.231 1.00 3.50 H new ATOM 0 HG22 THR A 65 36.227 8.278 2.514 1.00 3.50 H new ATOM 0 HG23 THR A 65 34.582 7.823 3.019 1.00 3.50 H new ATOM 1030 N PHE A 66 35.835 7.529 -0.079 1.00 3.01 N ATOM 1031 CA PHE A 66 36.511 8.359 -1.077 1.00 3.31 C ATOM 1032 C PHE A 66 36.858 9.743 -0.539 1.00 3.79 C ATOM 1033 O PHE A 66 36.554 10.080 0.606 1.00 3.94 O ATOM 1034 CB PHE A 66 35.644 8.498 -2.331 1.00 3.27 C ATOM 1035 CG PHE A 66 35.524 7.231 -3.132 1.00 3.23 C ATOM 1036 CD1 PHE A 66 34.974 6.087 -2.575 1.00 3.49 C ATOM 1037 CD2 PHE A 66 35.961 7.185 -4.448 1.00 3.34 C ATOM 1038 CE1 PHE A 66 34.862 4.924 -3.312 1.00 3.79 C ATOM 1039 CE2 PHE A 66 35.851 6.025 -5.190 1.00 3.52 C ATOM 1040 CZ PHE A 66 35.302 4.893 -4.620 1.00 3.72 C ATOM 0 H PHE A 66 34.847 7.745 0.055 1.00 3.01 H new ATOM 0 HA PHE A 66 37.445 7.856 -1.328 1.00 3.31 H new ATOM 0 HB2 PHE A 66 34.647 8.826 -2.037 1.00 3.27 H new ATOM 0 HB3 PHE A 66 36.063 9.279 -2.966 1.00 3.27 H new ATOM 0 HD1 PHE A 66 34.629 6.105 -1.552 1.00 3.49 H new ATOM 0 HD2 PHE A 66 36.392 8.067 -4.898 1.00 3.34 H new ATOM 0 HE1 PHE A 66 34.431 4.040 -2.865 1.00 3.79 H new ATOM 0 HE2 PHE A 66 36.194 6.003 -6.214 1.00 3.52 H new ATOM 0 HZ PHE A 66 35.217 3.984 -5.197 1.00 3.72 H new ATOM 1050 N TYR A 67 37.500 10.536 -1.393 1.00 4.15 N ATOM 1051 CA TYR A 67 37.914 11.890 -1.045 1.00 4.67 C ATOM 1052 C TYR A 67 37.215 12.910 -1.941 1.00 4.93 C ATOM 1053 O TYR A 67 37.074 14.080 -1.580 1.00 5.34 O ATOM 1054 CB TYR A 67 39.435 12.019 -1.178 1.00 5.09 C ATOM 1055 CG TYR A 67 39.947 13.439 -1.067 1.00 5.42 C ATOM 1056 CD1 TYR A 67 40.165 14.026 0.173 1.00 5.82 C ATOM 1057 CD2 TYR A 67 40.214 14.190 -2.206 1.00 5.58 C ATOM 1058 CE1 TYR A 67 40.633 15.323 0.276 1.00 6.28 C ATOM 1059 CE2 TYR A 67 40.682 15.487 -2.111 1.00 6.07 C ATOM 1060 CZ TYR A 67 40.890 16.048 -0.868 1.00 6.38 C ATOM 1061 OH TYR A 67 41.355 17.339 -0.770 1.00 6.97 O ATOM 0 H TYR A 67 37.747 10.258 -2.343 1.00 4.15 H new ATOM 0 HA TYR A 67 37.630 12.090 -0.012 1.00 4.67 H new ATOM 0 HB2 TYR A 67 39.909 11.412 -0.407 1.00 5.09 H new ATOM 0 HB3 TYR A 67 39.741 11.608 -2.140 1.00 5.09 H new ATOM 0 HD1 TYR A 67 39.966 13.460 1.071 1.00 5.82 H new ATOM 0 HD2 TYR A 67 40.053 13.753 -3.180 1.00 5.58 H new ATOM 0 HE1 TYR A 67 40.796 15.766 1.247 1.00 6.28 H new ATOM 0 HE2 TYR A 67 40.884 16.058 -3.005 1.00 6.07 H new ATOM 0 HH TYR A 67 41.486 17.709 -1.668 1.00 6.97 H new ATOM 1071 N THR A 68 36.777 12.454 -3.110 1.00 4.78 N ATOM 1072 CA THR A 68 36.089 13.311 -4.065 1.00 5.09 C ATOM 1073 C THR A 68 34.652 12.845 -4.246 1.00 4.71 C ATOM 1074 O THR A 68 34.358 12.009 -5.102 1.00 4.43 O ATOM 1075 CB THR A 68 36.799 13.318 -5.432 1.00 5.46 C ATOM 1076 OG1 THR A 68 36.972 11.976 -5.901 1.00 5.14 O ATOM 1077 CG2 THR A 68 38.154 14.005 -5.336 1.00 6.11 C ATOM 0 H THR A 68 36.888 11.488 -3.419 1.00 4.78 H new ATOM 0 HA THR A 68 36.102 14.325 -3.666 1.00 5.09 H new ATOM 0 HB THR A 68 36.178 13.872 -6.136 1.00 5.46 H new ATOM 0 HG1 THR A 68 37.422 11.989 -6.771 1.00 5.14 H new ATOM 0 HG21 THR A 68 38.636 13.997 -6.314 1.00 6.11 H new ATOM 0 HG22 THR A 68 38.017 15.035 -5.007 1.00 6.11 H new ATOM 0 HG23 THR A 68 38.781 13.475 -4.619 1.00 6.11 H new ATOM 1085 N ARG A 69 33.763 13.390 -3.427 1.00 4.80 N ATOM 1086 CA ARG A 69 32.354 13.026 -3.469 1.00 4.60 C ATOM 1087 C ARG A 69 31.775 13.206 -4.868 1.00 4.68 C ATOM 1088 O ARG A 69 30.907 12.443 -5.289 1.00 4.42 O ATOM 1089 CB ARG A 69 31.555 13.850 -2.451 1.00 4.95 C ATOM 1090 CG ARG A 69 31.354 15.313 -2.836 1.00 5.58 C ATOM 1091 CD ARG A 69 32.661 16.094 -2.843 1.00 5.81 C ATOM 1092 NE ARG A 69 33.572 15.658 -1.789 1.00 5.91 N ATOM 1093 CZ ARG A 69 34.165 16.487 -0.938 1.00 6.49 C ATOM 1094 NH1 ARG A 69 33.943 17.792 -1.012 1.00 7.00 N ATOM 1095 NH2 ARG A 69 34.985 16.010 -0.011 1.00 6.63 N ATOM 0 H ARG A 69 33.995 14.090 -2.722 1.00 4.80 H new ATOM 0 HA ARG A 69 32.276 11.971 -3.207 1.00 4.60 H new ATOM 0 HB2 ARG A 69 30.578 13.386 -2.315 1.00 4.95 H new ATOM 0 HB3 ARG A 69 32.065 13.808 -1.489 1.00 4.95 H new ATOM 0 HG2 ARG A 69 30.896 15.367 -3.824 1.00 5.58 H new ATOM 0 HG3 ARG A 69 30.659 15.778 -2.137 1.00 5.58 H new ATOM 0 HD2 ARG A 69 33.147 15.977 -3.812 1.00 5.81 H new ATOM 0 HD3 ARG A 69 32.448 17.156 -2.720 1.00 5.81 H new ATOM 0 HE ARG A 69 33.764 14.660 -1.701 1.00 5.91 H new ATOM 0 HH11 ARG A 69 33.315 18.163 -1.725 1.00 7.00 H new ATOM 0 HH12 ARG A 69 34.401 18.425 -0.356 1.00 7.00 H new ATOM 0 HH21 ARG A 69 35.160 15.007 0.048 1.00 6.63 H new ATOM 0 HH22 ARG A 69 35.441 16.646 0.643 1.00 6.63 H new ATOM 1109 N LYS A 70 32.269 14.206 -5.590 1.00 5.09 N ATOM 1110 CA LYS A 70 31.793 14.469 -6.941 1.00 5.26 C ATOM 1111 C LYS A 70 32.023 13.245 -7.810 1.00 4.89 C ATOM 1112 O LYS A 70 31.167 12.858 -8.606 1.00 4.81 O ATOM 1113 CB LYS A 70 32.510 15.684 -7.533 1.00 5.77 C ATOM 1114 CG LYS A 70 32.103 15.993 -8.967 1.00 5.89 C ATOM 1115 CD LYS A 70 32.572 17.375 -9.397 1.00 6.19 C ATOM 1116 CE LYS A 70 31.838 18.474 -8.643 1.00 6.65 C ATOM 1117 NZ LYS A 70 32.290 19.831 -9.057 1.00 6.82 N ATOM 0 H LYS A 70 32.995 14.844 -5.264 1.00 5.09 H new ATOM 0 HA LYS A 70 30.725 14.686 -6.905 1.00 5.26 H new ATOM 0 HB2 LYS A 70 32.305 16.555 -6.910 1.00 5.77 H new ATOM 0 HB3 LYS A 70 33.586 15.513 -7.498 1.00 5.77 H new ATOM 0 HG2 LYS A 70 32.523 15.241 -9.635 1.00 5.89 H new ATOM 0 HG3 LYS A 70 31.019 15.931 -9.059 1.00 5.89 H new ATOM 0 HD2 LYS A 70 33.644 17.467 -9.223 1.00 6.19 H new ATOM 0 HD3 LYS A 70 32.411 17.498 -10.468 1.00 6.19 H new ATOM 0 HE2 LYS A 70 30.766 18.380 -8.817 1.00 6.65 H new ATOM 0 HE3 LYS A 70 31.999 18.349 -7.572 1.00 6.65 H new ATOM 0 HZ1 LYS A 70 31.765 20.551 -8.520 1.00 6.82 H new ATOM 0 HZ2 LYS A 70 33.308 19.931 -8.867 1.00 6.82 H new ATOM 0 HZ3 LYS A 70 32.113 19.961 -10.074 1.00 6.82 H new ATOM 1131 N ALA A 71 33.188 12.636 -7.641 1.00 4.71 N ATOM 1132 CA ALA A 71 33.543 11.442 -8.386 1.00 4.41 C ATOM 1133 C ALA A 71 32.622 10.290 -8.006 1.00 3.94 C ATOM 1134 O ALA A 71 32.265 9.460 -8.843 1.00 3.77 O ATOM 1135 CB ALA A 71 34.993 11.075 -8.113 1.00 4.40 C ATOM 0 H ALA A 71 33.906 12.954 -6.990 1.00 4.71 H new ATOM 0 HA ALA A 71 33.425 11.640 -9.451 1.00 4.41 H new ATOM 0 HB1 ALA A 71 35.253 10.178 -8.675 1.00 4.40 H new ATOM 0 HB2 ALA A 71 35.640 11.896 -8.420 1.00 4.40 H new ATOM 0 HB3 ALA A 71 35.126 10.887 -7.048 1.00 4.40 H new ATOM 1141 N ALA A 72 32.226 10.262 -6.735 1.00 3.78 N ATOM 1142 CA ALA A 72 31.348 9.218 -6.227 1.00 3.40 C ATOM 1143 C ALA A 72 30.019 9.215 -6.970 1.00 3.51 C ATOM 1144 O ALA A 72 29.375 8.174 -7.100 1.00 3.28 O ATOM 1145 CB ALA A 72 31.120 9.396 -4.734 1.00 3.39 C ATOM 0 H ALA A 72 32.502 10.954 -6.039 1.00 3.78 H new ATOM 0 HA ALA A 72 31.833 8.256 -6.394 1.00 3.40 H new ATOM 0 HB1 ALA A 72 30.461 8.607 -4.370 1.00 3.39 H new ATOM 0 HB2 ALA A 72 32.075 9.342 -4.211 1.00 3.39 H new ATOM 0 HB3 ALA A 72 30.660 10.367 -4.549 1.00 3.39 H new ATOM 1151 N LEU A 73 29.620 10.384 -7.465 1.00 3.95 N ATOM 1152 CA LEU A 73 28.364 10.513 -8.192 1.00 4.16 C ATOM 1153 C LEU A 73 28.311 9.518 -9.345 1.00 4.02 C ATOM 1154 O LEU A 73 27.295 8.857 -9.560 1.00 3.99 O ATOM 1155 CB LEU A 73 28.197 11.939 -8.725 1.00 4.66 C ATOM 1156 CG LEU A 73 28.177 13.037 -7.658 1.00 4.93 C ATOM 1157 CD1 LEU A 73 28.191 14.413 -8.308 1.00 5.43 C ATOM 1158 CD2 LEU A 73 26.960 12.885 -6.757 1.00 4.92 C ATOM 0 H LEU A 73 30.148 11.252 -7.375 1.00 3.95 H new ATOM 0 HA LEU A 73 27.547 10.297 -7.503 1.00 4.16 H new ATOM 0 HB2 LEU A 73 29.009 12.147 -9.422 1.00 4.66 H new ATOM 0 HB3 LEU A 73 27.269 11.991 -9.294 1.00 4.66 H new ATOM 0 HG LEU A 73 29.073 12.937 -7.045 1.00 4.93 H new ATOM 0 HD11 LEU A 73 28.176 15.181 -7.535 1.00 5.43 H new ATOM 0 HD12 LEU A 73 29.093 14.522 -8.910 1.00 5.43 H new ATOM 0 HD13 LEU A 73 27.314 14.523 -8.945 1.00 5.43 H new ATOM 0 HD21 LEU A 73 26.963 13.674 -6.005 1.00 4.92 H new ATOM 0 HD22 LEU A 73 26.052 12.958 -7.356 1.00 4.92 H new ATOM 0 HD23 LEU A 73 26.992 11.914 -6.264 1.00 4.92 H new ATOM 1170 N GLU A 74 29.415 9.408 -10.078 1.00 4.00 N ATOM 1171 CA GLU A 74 29.490 8.489 -11.205 1.00 3.94 C ATOM 1172 C GLU A 74 29.233 7.059 -10.746 1.00 3.55 C ATOM 1173 O GLU A 74 28.532 6.298 -11.415 1.00 3.57 O ATOM 1174 CB GLU A 74 30.861 8.581 -11.877 1.00 4.07 C ATOM 1175 CG GLU A 74 31.452 9.981 -11.857 1.00 4.42 C ATOM 1176 CD GLU A 74 32.439 10.213 -12.985 1.00 4.73 C ATOM 1177 OE1 GLU A 74 31.998 10.587 -14.093 1.00 4.99 O ATOM 1178 OE2 GLU A 74 33.653 10.023 -12.760 1.00 4.77 O ATOM 0 H GLU A 74 30.267 9.943 -9.911 1.00 4.00 H new ATOM 0 HA GLU A 74 28.723 8.770 -11.927 1.00 3.94 H new ATOM 0 HB2 GLU A 74 31.548 7.898 -11.378 1.00 4.07 H new ATOM 0 HB3 GLU A 74 30.774 8.247 -12.911 1.00 4.07 H new ATOM 0 HG2 GLU A 74 30.647 10.712 -11.927 1.00 4.42 H new ATOM 0 HG3 GLU A 74 31.951 10.147 -10.902 1.00 4.42 H new ATOM 1185 N ALA A 75 29.790 6.708 -9.590 1.00 3.24 N ATOM 1186 CA ALA A 75 29.631 5.371 -9.039 1.00 2.89 C ATOM 1187 C ALA A 75 28.161 5.019 -8.892 1.00 2.95 C ATOM 1188 O ALA A 75 27.763 3.878 -9.124 1.00 2.87 O ATOM 1189 CB ALA A 75 30.338 5.263 -7.697 1.00 2.61 C ATOM 0 H ALA A 75 30.356 7.334 -9.018 1.00 3.24 H new ATOM 0 HA ALA A 75 30.085 4.661 -9.731 1.00 2.89 H new ATOM 0 HB1 ALA A 75 30.210 4.257 -7.298 1.00 2.61 H new ATOM 0 HB2 ALA A 75 31.400 5.469 -7.828 1.00 2.61 H new ATOM 0 HB3 ALA A 75 29.911 5.986 -7.002 1.00 2.61 H new ATOM 1195 N GLN A 76 27.352 6.006 -8.517 1.00 3.20 N ATOM 1196 CA GLN A 76 25.924 5.788 -8.341 1.00 3.38 C ATOM 1197 C GLN A 76 25.312 5.223 -9.614 1.00 3.55 C ATOM 1198 O GLN A 76 24.557 4.251 -9.574 1.00 3.58 O ATOM 1199 CB GLN A 76 25.227 7.095 -7.955 1.00 3.75 C ATOM 1200 CG GLN A 76 25.811 7.753 -6.715 1.00 3.74 C ATOM 1201 CD GLN A 76 25.854 6.818 -5.523 1.00 3.45 C ATOM 1202 OE1 GLN A 76 24.904 6.743 -4.744 1.00 3.63 O ATOM 1203 NE2 GLN A 76 26.962 6.102 -5.373 1.00 3.07 N ATOM 0 H GLN A 76 27.662 6.960 -8.330 1.00 3.20 H new ATOM 0 HA GLN A 76 25.783 5.067 -7.536 1.00 3.38 H new ATOM 0 HB2 GLN A 76 25.292 7.792 -8.791 1.00 3.75 H new ATOM 0 HB3 GLN A 76 24.169 6.897 -7.787 1.00 3.75 H new ATOM 0 HG2 GLN A 76 26.820 8.102 -6.935 1.00 3.74 H new ATOM 0 HG3 GLN A 76 25.218 8.632 -6.461 1.00 3.74 H new ATOM 0 HE21 GLN A 76 27.725 6.196 -6.043 1.00 3.07 H new ATOM 0 HE22 GLN A 76 27.050 5.458 -4.587 1.00 3.07 H new ATOM 1212 N ASN A 77 25.664 5.817 -10.750 1.00 3.74 N ATOM 1213 CA ASN A 77 25.152 5.365 -12.031 1.00 3.96 C ATOM 1214 C ASN A 77 25.706 3.986 -12.357 1.00 3.80 C ATOM 1215 O ASN A 77 25.073 3.193 -13.053 1.00 3.98 O ATOM 1216 CB ASN A 77 25.540 6.358 -13.125 1.00 4.24 C ATOM 1217 CG ASN A 77 24.696 7.616 -13.095 1.00 4.49 C ATOM 1218 OD1 ASN A 77 24.243 8.049 -12.035 1.00 4.84 O ATOM 1219 ND2 ASN A 77 24.480 8.210 -14.262 1.00 4.70 N ATOM 0 H ASN A 77 26.301 6.611 -10.806 1.00 3.74 H new ATOM 0 HA ASN A 77 24.065 5.303 -11.977 1.00 3.96 H new ATOM 0 HB2 ASN A 77 26.590 6.627 -13.011 1.00 4.24 H new ATOM 0 HB3 ASN A 77 25.437 5.879 -14.099 1.00 4.24 H new ATOM 0 HD21 ASN A 77 23.919 9.061 -14.305 1.00 4.70 H new ATOM 0 HD22 ASN A 77 24.875 7.816 -15.116 1.00 4.70 H new ATOM 1226 N ALA A 78 26.898 3.715 -11.838 1.00 3.52 N ATOM 1227 CA ALA A 78 27.563 2.443 -12.060 1.00 3.42 C ATOM 1228 C ALA A 78 26.948 1.328 -11.219 1.00 3.30 C ATOM 1229 O ALA A 78 27.040 0.155 -11.581 1.00 3.41 O ATOM 1230 CB ALA A 78 29.048 2.577 -11.758 1.00 3.23 C ATOM 0 H ALA A 78 27.425 4.367 -11.257 1.00 3.52 H new ATOM 0 HA ALA A 78 27.429 2.172 -13.107 1.00 3.42 H new ATOM 0 HB1 ALA A 78 29.541 1.620 -11.926 1.00 3.23 H new ATOM 0 HB2 ALA A 78 29.486 3.331 -12.412 1.00 3.23 H new ATOM 0 HB3 ALA A 78 29.182 2.877 -10.719 1.00 3.23 H new ATOM 1236 N LEU A 79 26.316 1.687 -10.100 1.00 3.16 N ATOM 1237 CA LEU A 79 25.722 0.683 -9.222 1.00 3.14 C ATOM 1238 C LEU A 79 24.469 1.188 -8.507 1.00 3.35 C ATOM 1239 O LEU A 79 23.368 0.730 -8.801 1.00 3.66 O ATOM 1240 CB LEU A 79 26.756 0.217 -8.195 1.00 2.85 C ATOM 1241 CG LEU A 79 27.555 1.337 -7.521 1.00 2.57 C ATOM 1242 CD1 LEU A 79 27.338 1.316 -6.017 1.00 2.41 C ATOM 1243 CD2 LEU A 79 29.033 1.207 -7.855 1.00 2.50 C ATOM 0 H LEU A 79 26.204 2.651 -9.785 1.00 3.16 H new ATOM 0 HA LEU A 79 25.414 -0.152 -9.851 1.00 3.14 H new ATOM 0 HB2 LEU A 79 26.245 -0.358 -7.423 1.00 2.85 H new ATOM 0 HB3 LEU A 79 27.454 -0.460 -8.687 1.00 2.85 H new ATOM 0 HG LEU A 79 27.200 2.295 -7.902 1.00 2.57 H new ATOM 0 HD11 LEU A 79 27.913 2.118 -5.555 1.00 2.41 H new ATOM 0 HD12 LEU A 79 26.279 1.457 -5.800 1.00 2.41 H new ATOM 0 HD13 LEU A 79 27.666 0.357 -5.615 1.00 2.41 H new ATOM 0 HD21 LEU A 79 29.588 2.010 -7.369 1.00 2.50 H new ATOM 0 HD22 LEU A 79 29.403 0.245 -7.501 1.00 2.50 H new ATOM 0 HD23 LEU A 79 29.169 1.274 -8.934 1.00 2.50 H new ATOM 1255 N HIS A 80 24.640 2.124 -7.573 1.00 3.27 N ATOM 1256 CA HIS A 80 23.517 2.658 -6.801 1.00 3.53 C ATOM 1257 C HIS A 80 23.038 1.608 -5.795 1.00 3.49 C ATOM 1258 O HIS A 80 23.637 0.538 -5.685 1.00 3.37 O ATOM 1259 CB HIS A 80 22.367 3.086 -7.726 1.00 3.94 C ATOM 1260 CG HIS A 80 21.395 4.032 -7.092 1.00 4.25 C ATOM 1261 ND1 HIS A 80 20.095 3.683 -6.788 1.00 4.68 N ATOM 1262 CD2 HIS A 80 21.537 5.322 -6.705 1.00 4.44 C ATOM 1263 CE1 HIS A 80 19.480 4.717 -6.244 1.00 4.89 C ATOM 1264 NE2 HIS A 80 20.332 5.724 -6.182 1.00 4.71 N ATOM 0 H HIS A 80 25.545 2.528 -7.333 1.00 3.27 H new ATOM 0 HA HIS A 80 23.854 3.542 -6.260 1.00 3.53 H new ATOM 0 HB2 HIS A 80 22.786 3.555 -8.617 1.00 3.94 H new ATOM 0 HB3 HIS A 80 21.830 2.197 -8.056 1.00 3.94 H new ATOM 0 HD2 HIS A 80 22.431 5.922 -6.791 1.00 4.44 H new ATOM 0 HE1 HIS A 80 18.454 4.736 -5.907 1.00 4.89 H new ATOM 0 HE2 HIS A 80 20.128 6.650 -5.807 1.00 4.71 H new ATOM 1273 N ASN A 81 21.967 1.907 -5.066 1.00 3.77 N ATOM 1274 CA ASN A 81 21.434 0.977 -4.072 1.00 3.89 C ATOM 1275 C ASN A 81 21.139 -0.391 -4.687 1.00 3.88 C ATOM 1276 O ASN A 81 21.097 -1.400 -3.983 1.00 4.01 O ATOM 1277 CB ASN A 81 20.164 1.550 -3.440 1.00 4.31 C ATOM 1278 CG ASN A 81 19.576 0.631 -2.386 1.00 4.75 C ATOM 1279 OD1 ASN A 81 18.719 -0.203 -2.680 1.00 4.86 O ATOM 1280 ND2 ASN A 81 20.035 0.781 -1.149 1.00 5.40 N ATOM 0 H ASN A 81 21.451 2.784 -5.143 1.00 3.77 H new ATOM 0 HA ASN A 81 22.193 0.844 -3.301 1.00 3.89 H new ATOM 0 HB2 ASN A 81 20.390 2.517 -2.990 1.00 4.31 H new ATOM 0 HB3 ASN A 81 19.422 1.727 -4.219 1.00 4.31 H new ATOM 0 HD21 ASN A 81 19.677 0.192 -0.397 1.00 5.40 H new ATOM 0 HD22 ASN A 81 20.746 1.485 -0.951 1.00 5.40 H new ATOM 1287 N MET A 82 20.942 -0.418 -6.001 1.00 3.89 N ATOM 1288 CA MET A 82 20.652 -1.665 -6.704 1.00 4.02 C ATOM 1289 C MET A 82 21.588 -1.852 -7.895 1.00 3.90 C ATOM 1290 O MET A 82 21.652 -1.006 -8.784 1.00 4.17 O ATOM 1291 CB MET A 82 19.198 -1.670 -7.179 1.00 4.60 C ATOM 1292 CG MET A 82 18.758 -0.346 -7.782 1.00 4.89 C ATOM 1293 SD MET A 82 17.191 -0.468 -8.668 1.00 5.67 S ATOM 1294 CE MET A 82 17.633 -1.581 -10.001 1.00 5.71 C ATOM 0 H MET A 82 20.977 0.407 -6.600 1.00 3.89 H new ATOM 0 HA MET A 82 20.810 -2.492 -6.012 1.00 4.02 H new ATOM 0 HB2 MET A 82 19.068 -2.460 -7.919 1.00 4.60 H new ATOM 0 HB3 MET A 82 18.549 -1.912 -6.337 1.00 4.60 H new ATOM 0 HG2 MET A 82 18.665 0.396 -6.989 1.00 4.89 H new ATOM 0 HG3 MET A 82 19.529 0.011 -8.464 1.00 4.89 H new ATOM 0 HE1 MET A 82 17.279 -1.173 -10.948 1.00 5.71 H new ATOM 0 HE2 MET A 82 18.717 -1.694 -10.037 1.00 5.71 H new ATOM 0 HE3 MET A 82 17.173 -2.554 -9.830 1.00 5.71 H new ATOM 1304 N LYS A 83 22.295 -2.980 -7.915 1.00 3.68 N ATOM 1305 CA LYS A 83 23.237 -3.280 -8.989 1.00 3.64 C ATOM 1306 C LYS A 83 23.024 -4.689 -9.528 1.00 3.70 C ATOM 1307 O LYS A 83 22.655 -5.598 -8.784 1.00 3.74 O ATOM 1308 CB LYS A 83 24.670 -3.131 -8.497 1.00 3.51 C ATOM 1309 CG LYS A 83 25.693 -3.135 -9.619 1.00 3.75 C ATOM 1310 CD LYS A 83 27.061 -3.516 -9.099 1.00 3.35 C ATOM 1311 CE LYS A 83 28.115 -3.473 -10.194 1.00 3.68 C ATOM 1312 NZ LYS A 83 28.303 -2.099 -10.734 1.00 4.16 N ATOM 0 H LYS A 83 22.232 -3.702 -7.197 1.00 3.68 H new ATOM 0 HA LYS A 83 23.058 -2.569 -9.796 1.00 3.64 H new ATOM 0 HB2 LYS A 83 24.760 -2.201 -7.936 1.00 3.51 H new ATOM 0 HB3 LYS A 83 24.896 -3.943 -7.806 1.00 3.51 H new ATOM 0 HG2 LYS A 83 25.386 -3.837 -10.394 1.00 3.75 H new ATOM 0 HG3 LYS A 83 25.737 -2.149 -10.081 1.00 3.75 H new ATOM 0 HD2 LYS A 83 27.345 -2.838 -8.294 1.00 3.35 H new ATOM 0 HD3 LYS A 83 27.021 -4.518 -8.672 1.00 3.35 H new ATOM 0 HE2 LYS A 83 29.062 -3.840 -9.800 1.00 3.68 H new ATOM 0 HE3 LYS A 83 27.825 -4.144 -11.003 1.00 3.68 H new ATOM 0 HZ1 LYS A 83 28.993 -2.123 -11.512 1.00 4.16 H new ATOM 0 HZ2 LYS A 83 27.394 -1.738 -11.088 1.00 4.16 H new ATOM 0 HZ3 LYS A 83 28.654 -1.475 -9.980 1.00 4.16 H new ATOM 1326 N VAL A 84 23.257 -4.867 -10.826 1.00 4.00 N ATOM 1327 CA VAL A 84 23.080 -6.169 -11.457 1.00 4.21 C ATOM 1328 C VAL A 84 24.348 -6.636 -12.172 1.00 4.29 C ATOM 1329 O VAL A 84 24.893 -5.937 -13.026 1.00 4.68 O ATOM 1330 CB VAL A 84 21.908 -6.153 -12.458 1.00 4.91 C ATOM 1331 CG1 VAL A 84 22.071 -5.021 -13.462 1.00 5.39 C ATOM 1332 CG2 VAL A 84 21.796 -7.493 -13.168 1.00 5.32 C ATOM 0 H VAL A 84 23.567 -4.129 -11.458 1.00 4.00 H new ATOM 0 HA VAL A 84 22.856 -6.871 -10.654 1.00 4.21 H new ATOM 0 HB VAL A 84 20.985 -5.981 -11.903 1.00 4.91 H new ATOM 0 HG11 VAL A 84 21.233 -5.029 -14.159 1.00 5.39 H new ATOM 0 HG12 VAL A 84 22.095 -4.067 -12.934 1.00 5.39 H new ATOM 0 HG13 VAL A 84 23.002 -5.155 -14.013 1.00 5.39 H new ATOM 0 HG21 VAL A 84 20.963 -7.464 -13.871 1.00 5.32 H new ATOM 0 HG22 VAL A 84 22.720 -7.697 -13.709 1.00 5.32 H new ATOM 0 HG23 VAL A 84 21.624 -8.280 -12.434 1.00 5.32 H new ATOM 1342 N LEU A 85 24.808 -7.827 -11.801 1.00 4.15 N ATOM 1343 CA LEU A 85 26.003 -8.427 -12.390 1.00 4.34 C ATOM 1344 C LEU A 85 25.641 -9.636 -13.252 1.00 4.70 C ATOM 1345 O LEU A 85 24.646 -10.310 -12.983 1.00 4.80 O ATOM 1346 CB LEU A 85 27.002 -8.841 -11.310 1.00 4.21 C ATOM 1347 CG LEU A 85 27.981 -7.748 -10.884 1.00 4.11 C ATOM 1348 CD1 LEU A 85 27.359 -6.863 -9.818 1.00 3.90 C ATOM 1349 CD2 LEU A 85 29.281 -8.361 -10.389 1.00 4.45 C ATOM 0 H LEU A 85 24.365 -8.403 -11.085 1.00 4.15 H new ATOM 0 HA LEU A 85 26.468 -7.671 -13.023 1.00 4.34 H new ATOM 0 HB2 LEU A 85 26.448 -9.174 -10.432 1.00 4.21 H new ATOM 0 HB3 LEU A 85 27.571 -9.697 -11.672 1.00 4.21 H new ATOM 0 HG LEU A 85 28.207 -7.127 -11.751 1.00 4.11 H new ATOM 0 HD11 LEU A 85 28.070 -6.090 -9.526 1.00 3.90 H new ATOM 0 HD12 LEU A 85 26.457 -6.396 -10.214 1.00 3.90 H new ATOM 0 HD13 LEU A 85 27.103 -7.467 -8.948 1.00 3.90 H new ATOM 0 HD21 LEU A 85 29.966 -7.568 -10.090 1.00 4.45 H new ATOM 0 HD22 LEU A 85 29.077 -9.006 -9.534 1.00 4.45 H new ATOM 0 HD23 LEU A 85 29.733 -8.949 -11.188 1.00 4.45 H new ATOM 1361 N PRO A 86 26.438 -9.907 -14.313 1.00 5.11 N ATOM 1362 CA PRO A 86 26.231 -11.021 -15.232 1.00 5.57 C ATOM 1363 C PRO A 86 25.392 -12.149 -14.639 1.00 5.64 C ATOM 1364 O PRO A 86 24.382 -12.554 -15.213 1.00 5.96 O ATOM 1365 CB PRO A 86 27.667 -11.481 -15.474 1.00 5.85 C ATOM 1366 CG PRO A 86 28.508 -10.242 -15.343 1.00 5.81 C ATOM 1367 CD PRO A 86 27.653 -9.176 -14.687 1.00 5.38 C ATOM 0 HA PRO A 86 25.678 -10.733 -16.126 1.00 5.57 H new ATOM 0 HB2 PRO A 86 27.965 -12.237 -14.748 1.00 5.85 H new ATOM 0 HB3 PRO A 86 27.776 -11.927 -16.462 1.00 5.85 H new ATOM 0 HG2 PRO A 86 29.396 -10.443 -14.744 1.00 5.81 H new ATOM 0 HG3 PRO A 86 28.853 -9.908 -16.322 1.00 5.81 H new ATOM 0 HD2 PRO A 86 28.146 -8.743 -13.817 1.00 5.38 H new ATOM 0 HD3 PRO A 86 27.435 -8.356 -15.372 1.00 5.38 H new ATOM 1375 N GLY A 87 25.823 -12.653 -13.486 1.00 5.51 N ATOM 1376 CA GLY A 87 25.094 -13.719 -12.824 1.00 5.74 C ATOM 1377 C GLY A 87 25.642 -15.096 -13.136 1.00 6.21 C ATOM 1378 O GLY A 87 25.131 -16.098 -12.635 1.00 6.52 O ATOM 0 H GLY A 87 26.664 -12.342 -12.999 1.00 5.51 H new ATOM 0 HA2 GLY A 87 25.125 -13.558 -11.746 1.00 5.74 H new ATOM 0 HA3 GLY A 87 24.047 -13.675 -13.123 1.00 5.74 H new ATOM 1382 N MET A 88 26.679 -15.149 -13.966 1.00 6.40 N ATOM 1383 CA MET A 88 27.295 -16.419 -14.339 1.00 6.91 C ATOM 1384 C MET A 88 27.674 -17.222 -13.100 1.00 6.86 C ATOM 1385 O MET A 88 27.139 -18.305 -12.861 1.00 7.07 O ATOM 1386 CB MET A 88 28.535 -16.175 -15.202 1.00 7.26 C ATOM 1387 CG MET A 88 28.243 -15.444 -16.503 1.00 7.46 C ATOM 1388 SD MET A 88 29.724 -15.162 -17.491 1.00 7.81 S ATOM 1389 CE MET A 88 30.266 -16.845 -17.779 1.00 8.29 C ATOM 0 H MET A 88 27.110 -14.329 -14.393 1.00 6.40 H new ATOM 0 HA MET A 88 26.568 -16.992 -14.914 1.00 6.91 H new ATOM 0 HB2 MET A 88 29.259 -15.598 -14.627 1.00 7.26 H new ATOM 0 HB3 MET A 88 29.001 -17.133 -15.431 1.00 7.26 H new ATOM 0 HG2 MET A 88 27.527 -16.022 -17.087 1.00 7.46 H new ATOM 0 HG3 MET A 88 27.773 -14.486 -16.279 1.00 7.46 H new ATOM 0 HE1 MET A 88 30.920 -16.872 -18.650 1.00 8.29 H new ATOM 0 HE2 MET A 88 30.809 -17.207 -16.906 1.00 8.29 H new ATOM 0 HE3 MET A 88 29.399 -17.481 -17.956 1.00 8.29 H new ATOM 1399 N HIS A 89 28.599 -16.677 -12.314 1.00 6.83 N ATOM 1400 CA HIS A 89 29.059 -17.327 -11.092 1.00 6.90 C ATOM 1401 C HIS A 89 30.006 -16.404 -10.334 1.00 6.45 C ATOM 1402 O HIS A 89 30.803 -16.848 -9.506 1.00 6.58 O ATOM 1403 CB HIS A 89 29.760 -18.649 -11.425 1.00 7.63 C ATOM 1404 CG HIS A 89 29.938 -19.552 -10.244 1.00 8.02 C ATOM 1405 ND1 HIS A 89 31.160 -19.774 -9.644 1.00 8.70 N ATOM 1406 CD2 HIS A 89 29.041 -20.294 -9.552 1.00 8.06 C ATOM 1407 CE1 HIS A 89 31.007 -20.614 -8.635 1.00 9.11 C ATOM 1408 NE2 HIS A 89 29.731 -20.944 -8.557 1.00 8.74 N ATOM 0 H HIS A 89 29.047 -15.781 -12.504 1.00 6.83 H new ATOM 0 HA HIS A 89 28.196 -17.541 -10.461 1.00 6.90 H new ATOM 0 HB2 HIS A 89 29.184 -19.173 -12.188 1.00 7.63 H new ATOM 0 HB3 HIS A 89 30.738 -18.433 -11.856 1.00 7.63 H new ATOM 0 HD2 HIS A 89 27.981 -20.362 -9.746 1.00 8.06 H new ATOM 0 HE1 HIS A 89 31.792 -20.970 -7.985 1.00 9.11 H new ATOM 0 HE2 HIS A 89 29.324 -21.578 -7.870 1.00 8.74 H new ATOM 1417 N HIS A 90 29.908 -15.111 -10.625 1.00 6.08 N ATOM 1418 CA HIS A 90 30.755 -14.110 -9.988 1.00 5.77 C ATOM 1419 C HIS A 90 29.940 -12.880 -9.584 1.00 5.44 C ATOM 1420 O HIS A 90 30.178 -11.782 -10.091 1.00 5.60 O ATOM 1421 CB HIS A 90 31.874 -13.696 -10.947 1.00 6.09 C ATOM 1422 CG HIS A 90 32.720 -14.842 -11.407 1.00 6.55 C ATOM 1423 ND1 HIS A 90 32.316 -15.730 -12.381 1.00 7.04 N ATOM 1424 CD2 HIS A 90 33.954 -15.246 -11.020 1.00 6.91 C ATOM 1425 CE1 HIS A 90 33.263 -16.632 -12.573 1.00 7.58 C ATOM 1426 NE2 HIS A 90 34.268 -16.360 -11.761 1.00 7.51 N ATOM 0 H HIS A 90 29.246 -14.731 -11.302 1.00 6.08 H new ATOM 0 HA HIS A 90 31.186 -14.547 -9.087 1.00 5.77 H new ATOM 0 HB2 HIS A 90 31.434 -13.207 -11.816 1.00 6.09 H new ATOM 0 HB3 HIS A 90 32.510 -12.960 -10.455 1.00 6.09 H new ATOM 0 HD2 HIS A 90 34.575 -14.780 -10.269 1.00 6.91 H new ATOM 0 HE1 HIS A 90 33.222 -17.452 -13.275 1.00 7.58 H new ATOM 0 HE2 HIS A 90 35.137 -16.891 -11.694 1.00 7.51 H new ATOM 1435 N PRO A 91 28.969 -13.039 -8.665 1.00 5.15 N ATOM 1436 CA PRO A 91 28.124 -11.933 -8.216 1.00 4.98 C ATOM 1437 C PRO A 91 28.756 -11.104 -7.104 1.00 4.84 C ATOM 1438 O PRO A 91 29.391 -11.640 -6.199 1.00 5.14 O ATOM 1439 CB PRO A 91 26.896 -12.658 -7.687 1.00 5.10 C ATOM 1440 CG PRO A 91 27.459 -13.898 -7.090 1.00 5.17 C ATOM 1441 CD PRO A 91 28.599 -14.305 -7.992 1.00 5.17 C ATOM 0 HA PRO A 91 27.932 -11.218 -9.016 1.00 4.98 H new ATOM 0 HB2 PRO A 91 26.365 -12.061 -6.946 1.00 5.10 H new ATOM 0 HB3 PRO A 91 26.187 -12.882 -8.484 1.00 5.10 H new ATOM 0 HG2 PRO A 91 27.809 -13.719 -6.073 1.00 5.17 H new ATOM 0 HG3 PRO A 91 26.705 -14.683 -7.034 1.00 5.17 H new ATOM 0 HD2 PRO A 91 29.433 -14.718 -7.425 1.00 5.17 H new ATOM 0 HD3 PRO A 91 28.293 -15.067 -8.709 1.00 5.17 H new ATOM 1449 N ILE A 92 28.570 -9.794 -7.194 1.00 4.52 N ATOM 1450 CA ILE A 92 29.078 -8.854 -6.201 1.00 4.42 C ATOM 1451 C ILE A 92 28.004 -7.812 -5.930 1.00 3.99 C ATOM 1452 O ILE A 92 27.223 -7.490 -6.824 1.00 3.99 O ATOM 1453 CB ILE A 92 30.390 -8.165 -6.647 1.00 4.77 C ATOM 1454 CG1 ILE A 92 30.098 -6.837 -7.363 1.00 4.68 C ATOM 1455 CG2 ILE A 92 31.196 -9.095 -7.543 1.00 5.46 C ATOM 1456 CD1 ILE A 92 31.324 -6.170 -7.953 1.00 4.43 C ATOM 0 H ILE A 92 28.061 -9.351 -7.959 1.00 4.52 H new ATOM 0 HA ILE A 92 29.315 -9.411 -5.295 1.00 4.42 H new ATOM 0 HB ILE A 92 30.980 -7.942 -5.758 1.00 4.77 H new ATOM 0 HG12 ILE A 92 29.377 -7.017 -8.160 1.00 4.68 H new ATOM 0 HG13 ILE A 92 29.629 -6.152 -6.657 1.00 4.68 H new ATOM 0 HG21 ILE A 92 32.116 -8.598 -7.849 1.00 5.46 H new ATOM 0 HG22 ILE A 92 31.440 -10.006 -6.996 1.00 5.46 H new ATOM 0 HG23 ILE A 92 30.609 -9.348 -8.426 1.00 5.46 H new ATOM 0 HD11 ILE A 92 31.033 -5.239 -8.440 1.00 4.43 H new ATOM 0 HD12 ILE A 92 32.039 -5.956 -7.159 1.00 4.43 H new ATOM 0 HD13 ILE A 92 31.783 -6.835 -8.685 1.00 4.43 H new ATOM 1468 N GLN A 93 27.941 -7.280 -4.715 1.00 3.75 N ATOM 1469 CA GLN A 93 26.900 -6.313 -4.415 1.00 3.44 C ATOM 1470 C GLN A 93 27.514 -5.024 -3.908 1.00 3.12 C ATOM 1471 O GLN A 93 28.228 -5.024 -2.920 1.00 3.04 O ATOM 1472 CB GLN A 93 25.939 -6.904 -3.380 1.00 3.51 C ATOM 1473 CG GLN A 93 25.210 -8.149 -3.874 1.00 3.77 C ATOM 1474 CD GLN A 93 24.072 -7.820 -4.821 1.00 3.84 C ATOM 1475 OE1 GLN A 93 22.932 -7.631 -4.397 1.00 4.15 O ATOM 1476 NE2 GLN A 93 24.376 -7.748 -6.112 1.00 4.02 N ATOM 0 H GLN A 93 28.577 -7.494 -3.947 1.00 3.75 H new ATOM 0 HA GLN A 93 26.342 -6.086 -5.323 1.00 3.44 H new ATOM 0 HB2 GLN A 93 26.497 -7.153 -2.477 1.00 3.51 H new ATOM 0 HB3 GLN A 93 25.205 -6.148 -3.103 1.00 3.51 H new ATOM 0 HG2 GLN A 93 25.919 -8.805 -4.378 1.00 3.77 H new ATOM 0 HG3 GLN A 93 24.819 -8.700 -3.019 1.00 3.77 H new ATOM 0 HE21 GLN A 93 25.334 -7.912 -6.420 1.00 4.02 H new ATOM 0 HE22 GLN A 93 23.651 -7.529 -6.795 1.00 4.02 H new ATOM 1485 N MET A 94 27.197 -3.918 -4.568 1.00 3.01 N ATOM 1486 CA MET A 94 27.752 -2.631 -4.181 1.00 2.75 C ATOM 1487 C MET A 94 26.649 -1.612 -3.933 1.00 2.77 C ATOM 1488 O MET A 94 25.817 -1.347 -4.802 1.00 2.91 O ATOM 1489 CB MET A 94 28.693 -2.116 -5.269 1.00 2.65 C ATOM 1490 CG MET A 94 29.653 -1.045 -4.780 1.00 2.30 C ATOM 1491 SD MET A 94 30.977 -0.705 -5.958 1.00 2.33 S ATOM 1492 CE MET A 94 31.768 -2.310 -6.057 1.00 2.41 C ATOM 0 H MET A 94 26.564 -3.887 -5.367 1.00 3.01 H new ATOM 0 HA MET A 94 28.309 -2.769 -3.255 1.00 2.75 H new ATOM 0 HB2 MET A 94 29.267 -2.952 -5.668 1.00 2.65 H new ATOM 0 HB3 MET A 94 28.100 -1.714 -6.091 1.00 2.65 H new ATOM 0 HG2 MET A 94 29.099 -0.126 -4.588 1.00 2.30 H new ATOM 0 HG3 MET A 94 30.088 -1.359 -3.831 1.00 2.30 H new ATOM 0 HE1 MET A 94 32.817 -2.183 -6.324 1.00 2.41 H new ATOM 0 HE2 MET A 94 31.698 -2.810 -5.091 1.00 2.41 H new ATOM 0 HE3 MET A 94 31.271 -2.914 -6.816 1.00 2.41 H new ATOM 1502 N LYS A 95 26.656 -1.051 -2.739 1.00 2.73 N ATOM 1503 CA LYS A 95 25.680 -0.054 -2.335 1.00 2.87 C ATOM 1504 C LYS A 95 26.380 1.012 -1.506 1.00 2.75 C ATOM 1505 O LYS A 95 27.334 0.703 -0.808 1.00 2.63 O ATOM 1506 CB LYS A 95 24.553 -0.711 -1.543 1.00 3.24 C ATOM 1507 CG LYS A 95 25.001 -1.301 -0.216 1.00 3.26 C ATOM 1508 CD LYS A 95 24.173 -2.520 0.152 1.00 3.68 C ATOM 1509 CE LYS A 95 24.565 -3.728 -0.685 1.00 3.80 C ATOM 1510 NZ LYS A 95 25.887 -4.279 -0.279 1.00 4.40 N ATOM 0 H LYS A 95 27.342 -1.274 -2.018 1.00 2.73 H new ATOM 0 HA LYS A 95 25.239 0.412 -3.216 1.00 2.87 H new ATOM 0 HB2 LYS A 95 23.773 0.028 -1.357 1.00 3.24 H new ATOM 0 HB3 LYS A 95 24.107 -1.500 -2.149 1.00 3.24 H new ATOM 0 HG2 LYS A 95 26.054 -1.578 -0.275 1.00 3.26 H new ATOM 0 HG3 LYS A 95 24.913 -0.548 0.568 1.00 3.26 H new ATOM 0 HD2 LYS A 95 24.308 -2.748 1.209 1.00 3.68 H new ATOM 0 HD3 LYS A 95 23.115 -2.301 0.006 1.00 3.68 H new ATOM 0 HE2 LYS A 95 23.803 -4.501 -0.585 1.00 3.80 H new ATOM 0 HE3 LYS A 95 24.597 -3.446 -1.737 1.00 3.80 H new ATOM 0 HZ1 LYS A 95 26.035 -5.201 -0.737 1.00 4.40 H new ATOM 0 HZ2 LYS A 95 26.640 -3.623 -0.569 1.00 4.40 H new ATOM 0 HZ3 LYS A 95 25.911 -4.398 0.754 1.00 4.40 H new ATOM 1524 N PRO A 96 25.935 2.275 -1.551 1.00 2.85 N ATOM 1525 CA PRO A 96 26.574 3.341 -0.807 1.00 2.87 C ATOM 1526 C PRO A 96 25.772 3.794 0.403 1.00 3.26 C ATOM 1527 O PRO A 96 24.614 4.198 0.288 1.00 3.59 O ATOM 1528 CB PRO A 96 26.583 4.453 -1.846 1.00 2.87 C ATOM 1529 CG PRO A 96 25.354 4.214 -2.689 1.00 2.97 C ATOM 1530 CD PRO A 96 24.863 2.810 -2.390 1.00 3.03 C ATOM 0 HA PRO A 96 27.543 3.046 -0.404 1.00 2.87 H new ATOM 0 HB2 PRO A 96 26.552 5.435 -1.373 1.00 2.87 H new ATOM 0 HB3 PRO A 96 27.489 4.420 -2.451 1.00 2.87 H new ATOM 0 HG2 PRO A 96 24.582 4.948 -2.458 1.00 2.97 H new ATOM 0 HG3 PRO A 96 25.589 4.321 -3.748 1.00 2.97 H new ATOM 0 HD2 PRO A 96 23.905 2.817 -1.870 1.00 3.03 H new ATOM 0 HD3 PRO A 96 24.728 2.224 -3.299 1.00 3.03 H new ATOM 1538 N ALA A 97 26.428 3.729 1.561 1.00 3.26 N ATOM 1539 CA ALA A 97 25.833 4.119 2.834 1.00 3.66 C ATOM 1540 C ALA A 97 24.341 3.821 2.884 1.00 3.56 C ATOM 1541 O ALA A 97 23.507 4.701 2.666 1.00 3.83 O ATOM 1542 CB ALA A 97 26.100 5.585 3.105 1.00 3.99 C ATOM 0 H ALA A 97 27.391 3.403 1.640 1.00 3.26 H new ATOM 0 HA ALA A 97 26.301 3.522 3.616 1.00 3.66 H new ATOM 0 HB1 ALA A 97 25.652 5.866 4.058 1.00 3.99 H new ATOM 0 HB2 ALA A 97 27.176 5.758 3.145 1.00 3.99 H new ATOM 0 HB3 ALA A 97 25.665 6.188 2.307 1.00 3.99 H new ATOM 1548 N ASP A 98 24.019 2.566 3.163 1.00 3.37 N ATOM 1549 CA ASP A 98 22.633 2.121 3.257 1.00 3.32 C ATOM 1550 C ASP A 98 21.862 2.947 4.276 1.00 3.17 C ATOM 1551 O ASP A 98 20.639 3.048 4.211 1.00 3.27 O ATOM 1552 CB ASP A 98 22.586 0.644 3.647 1.00 3.42 C ATOM 1553 CG ASP A 98 21.267 -0.010 3.282 1.00 3.94 C ATOM 1554 OD1 ASP A 98 21.155 -0.532 2.153 1.00 4.23 O ATOM 1555 OD2 ASP A 98 20.347 -0.002 4.127 1.00 4.40 O ATOM 0 H ASP A 98 24.705 1.830 3.330 1.00 3.37 H new ATOM 0 HA ASP A 98 22.165 2.255 2.282 1.00 3.32 H new ATOM 0 HB2 ASP A 98 23.400 0.114 3.152 1.00 3.42 H new ATOM 0 HB3 ASP A 98 22.750 0.549 4.720 1.00 3.42 H new ATOM 1560 N SER A 99 22.586 3.523 5.221 1.00 3.17 N ATOM 1561 CA SER A 99 21.973 4.342 6.259 1.00 3.44 C ATOM 1562 C SER A 99 21.417 5.644 5.684 1.00 3.74 C ATOM 1563 O SER A 99 20.477 6.222 6.231 1.00 4.12 O ATOM 1564 CB SER A 99 22.986 4.650 7.364 1.00 3.73 C ATOM 1565 OG SER A 99 23.440 3.460 7.988 1.00 3.81 O ATOM 0 H SER A 99 23.600 3.440 5.293 1.00 3.17 H new ATOM 0 HA SER A 99 21.144 3.775 6.682 1.00 3.44 H new ATOM 0 HB2 SER A 99 23.834 5.190 6.943 1.00 3.73 H new ATOM 0 HB3 SER A 99 22.530 5.303 8.108 1.00 3.73 H new ATOM 0 HG SER A 99 24.087 3.685 8.689 1.00 3.81 H new ATOM 1571 N GLU A 100 21.999 6.099 4.578 1.00 3.82 N ATOM 1572 CA GLU A 100 21.564 7.331 3.931 1.00 4.40 C ATOM 1573 C GLU A 100 21.384 7.127 2.431 1.00 4.57 C ATOM 1574 O GLU A 100 21.773 7.968 1.619 1.00 5.20 O ATOM 1575 CB GLU A 100 22.567 8.453 4.203 1.00 4.96 C ATOM 1576 CG GLU A 100 23.948 8.198 3.619 1.00 4.97 C ATOM 1577 CD GLU A 100 24.882 9.380 3.796 1.00 5.69 C ATOM 1578 OE1 GLU A 100 24.903 10.256 2.907 1.00 6.33 O ATOM 1579 OE2 GLU A 100 25.591 9.428 4.823 1.00 5.72 O ATOM 0 H GLU A 100 22.775 5.631 4.111 1.00 3.82 H new ATOM 0 HA GLU A 100 20.598 7.614 4.350 1.00 4.40 H new ATOM 0 HB2 GLU A 100 22.176 9.384 3.793 1.00 4.96 H new ATOM 0 HB3 GLU A 100 22.659 8.592 5.280 1.00 4.96 H new ATOM 0 HG2 GLU A 100 24.384 7.320 4.096 1.00 4.97 H new ATOM 0 HG3 GLU A 100 23.853 7.970 2.557 1.00 4.97 H new ATOM 1586 N LYS A 101 20.781 6.000 2.079 1.00 4.17 N ATOM 1587 CA LYS A 101 20.526 5.654 0.688 1.00 4.52 C ATOM 1588 C LYS A 101 19.750 6.749 -0.032 1.00 5.04 C ATOM 1589 O LYS A 101 19.781 6.830 -1.261 1.00 5.75 O ATOM 1590 CB LYS A 101 19.758 4.334 0.598 1.00 4.09 C ATOM 1591 CG LYS A 101 18.346 4.397 1.161 1.00 3.50 C ATOM 1592 CD LYS A 101 18.273 3.812 2.561 1.00 2.97 C ATOM 1593 CE LYS A 101 18.309 4.892 3.630 1.00 2.57 C ATOM 1594 NZ LYS A 101 18.109 4.328 4.993 1.00 2.71 N ATOM 0 H LYS A 101 20.456 5.302 2.748 1.00 4.17 H new ATOM 0 HA LYS A 101 21.493 5.546 0.198 1.00 4.52 H new ATOM 0 HB2 LYS A 101 19.708 4.026 -0.446 1.00 4.09 H new ATOM 0 HB3 LYS A 101 20.316 3.564 1.131 1.00 4.09 H new ATOM 0 HG2 LYS A 101 18.008 5.433 1.181 1.00 3.50 H new ATOM 0 HG3 LYS A 101 17.667 3.853 0.504 1.00 3.50 H new ATOM 0 HD2 LYS A 101 17.357 3.230 2.664 1.00 2.97 H new ATOM 0 HD3 LYS A 101 19.106 3.125 2.711 1.00 2.97 H new ATOM 0 HE2 LYS A 101 19.266 5.412 3.589 1.00 2.57 H new ATOM 0 HE3 LYS A 101 17.535 5.632 3.426 1.00 2.57 H new ATOM 0 HZ1 LYS A 101 18.072 5.102 5.687 1.00 2.71 H new ATOM 0 HZ2 LYS A 101 17.216 3.795 5.021 1.00 2.71 H new ATOM 0 HZ3 LYS A 101 18.899 3.692 5.225 1.00 2.71 H new ATOM 1608 N ASN A 102 19.040 7.570 0.744 1.00 4.88 N ATOM 1609 CA ASN A 102 18.215 8.652 0.205 1.00 5.53 C ATOM 1610 C ASN A 102 16.882 8.075 -0.248 1.00 5.30 C ATOM 1611 O ASN A 102 15.859 8.758 -0.264 1.00 5.56 O ATOM 1612 CB ASN A 102 18.912 9.376 -0.955 1.00 6.54 C ATOM 1613 CG ASN A 102 18.507 10.835 -1.071 1.00 7.30 C ATOM 1614 OD1 ASN A 102 19.283 11.668 -1.540 1.00 7.44 O ATOM 1615 ND2 ASN A 102 17.291 11.156 -0.641 1.00 8.00 N ATOM 0 H ASN A 102 19.021 7.504 1.762 1.00 4.88 H new ATOM 0 HA ASN A 102 18.053 9.392 0.989 1.00 5.53 H new ATOM 0 HB2 ASN A 102 19.992 9.314 -0.819 1.00 6.54 H new ATOM 0 HB3 ASN A 102 18.678 8.864 -1.889 1.00 6.54 H new ATOM 0 HD21 ASN A 102 16.970 12.123 -0.693 1.00 8.00 H new ATOM 0 HD22 ASN A 102 16.678 10.435 -0.259 1.00 8.00 H new ATOM 1622 N ASN A 103 16.912 6.796 -0.610 1.00 4.96 N ATOM 1623 CA ASN A 103 15.717 6.085 -1.031 1.00 4.80 C ATOM 1624 C ASN A 103 15.189 5.274 0.143 1.00 3.82 C ATOM 1625 O ASN A 103 14.780 4.122 -0.006 1.00 3.71 O ATOM 1626 CB ASN A 103 16.024 5.167 -2.214 1.00 5.48 C ATOM 1627 CG ASN A 103 16.633 5.916 -3.384 1.00 5.68 C ATOM 1628 OD1 ASN A 103 15.920 6.411 -4.257 1.00 5.93 O ATOM 1629 ND2 ASN A 103 17.958 6.002 -3.408 1.00 5.77 N ATOM 0 H ASN A 103 17.760 6.230 -0.619 1.00 4.96 H new ATOM 0 HA ASN A 103 14.963 6.804 -1.352 1.00 4.80 H new ATOM 0 HB2 ASN A 103 16.708 4.382 -1.893 1.00 5.48 H new ATOM 0 HB3 ASN A 103 15.106 4.677 -2.538 1.00 5.48 H new ATOM 0 HD21 ASN A 103 18.423 6.493 -4.171 1.00 5.77 H new ATOM 0 HD22 ASN A 103 18.510 5.577 -2.663 1.00 5.77 H new ATOM 1636 N ALA A 104 15.205 5.902 1.315 1.00 3.34 N ATOM 1637 CA ALA A 104 14.759 5.268 2.545 1.00 2.62 C ATOM 1638 C ALA A 104 13.295 4.888 2.445 1.00 2.40 C ATOM 1639 O ALA A 104 12.822 3.999 3.150 1.00 2.26 O ATOM 1640 CB ALA A 104 14.997 6.196 3.724 1.00 2.66 C ATOM 0 H ALA A 104 15.527 6.862 1.436 1.00 3.34 H new ATOM 0 HA ALA A 104 15.335 4.356 2.701 1.00 2.62 H new ATOM 0 HB1 ALA A 104 14.660 5.713 4.641 1.00 2.66 H new ATOM 0 HB2 ALA A 104 16.061 6.420 3.802 1.00 2.66 H new ATOM 0 HB3 ALA A 104 14.441 7.122 3.576 1.00 2.66 H new ATOM 1646 N VAL A 105 12.580 5.580 1.575 1.00 2.72 N ATOM 1647 CA VAL A 105 11.171 5.312 1.371 1.00 2.60 C ATOM 1648 C VAL A 105 10.959 3.862 0.938 1.00 2.45 C ATOM 1649 O VAL A 105 10.016 3.202 1.374 1.00 2.19 O ATOM 1650 CB VAL A 105 10.577 6.266 0.317 1.00 3.26 C ATOM 1651 CG1 VAL A 105 10.821 7.713 0.713 1.00 3.86 C ATOM 1652 CG2 VAL A 105 11.155 5.984 -1.063 1.00 3.76 C ATOM 0 H VAL A 105 12.955 6.333 0.998 1.00 2.72 H new ATOM 0 HA VAL A 105 10.657 5.478 2.318 1.00 2.60 H new ATOM 0 HB VAL A 105 9.501 6.094 0.273 1.00 3.26 H new ATOM 0 HG11 VAL A 105 10.395 8.374 -0.042 1.00 3.86 H new ATOM 0 HG12 VAL A 105 10.350 7.911 1.676 1.00 3.86 H new ATOM 0 HG13 VAL A 105 11.893 7.893 0.790 1.00 3.86 H new ATOM 0 HG21 VAL A 105 10.719 6.671 -1.788 1.00 3.76 H new ATOM 0 HG22 VAL A 105 12.236 6.120 -1.039 1.00 3.76 H new ATOM 0 HG23 VAL A 105 10.924 4.958 -1.351 1.00 3.76 H new ATOM 1662 N GLU A 106 11.862 3.371 0.093 1.00 2.96 N ATOM 1663 CA GLU A 106 11.787 2.002 -0.403 1.00 3.40 C ATOM 1664 C GLU A 106 11.970 1.007 0.739 1.00 3.33 C ATOM 1665 O GLU A 106 11.533 -0.141 0.648 1.00 3.80 O ATOM 1666 CB GLU A 106 12.824 1.774 -1.517 1.00 4.24 C ATOM 1667 CG GLU A 106 14.077 1.017 -1.086 1.00 4.29 C ATOM 1668 CD GLU A 106 13.874 -0.486 -1.050 1.00 4.91 C ATOM 1669 OE1 GLU A 106 13.657 -1.082 -2.126 1.00 5.41 O ATOM 1670 OE2 GLU A 106 13.936 -1.069 0.054 1.00 5.12 O ATOM 0 H GLU A 106 12.656 3.904 -0.263 1.00 2.96 H new ATOM 0 HA GLU A 106 10.797 1.840 -0.830 1.00 3.40 H new ATOM 0 HB2 GLU A 106 12.348 1.225 -2.329 1.00 4.24 H new ATOM 0 HB3 GLU A 106 13.123 2.742 -1.918 1.00 4.24 H new ATOM 0 HG2 GLU A 106 14.892 1.252 -1.771 1.00 4.29 H new ATOM 0 HG3 GLU A 106 14.382 1.361 -0.098 1.00 4.29 H new ATOM 1677 N ASP A 107 12.615 1.458 1.816 1.00 3.02 N ATOM 1678 CA ASP A 107 12.855 0.603 2.973 1.00 3.41 C ATOM 1679 C ASP A 107 11.543 0.005 3.444 1.00 3.52 C ATOM 1680 O ASP A 107 11.484 -1.166 3.819 1.00 4.26 O ATOM 1681 CB ASP A 107 13.516 1.386 4.108 1.00 3.25 C ATOM 1682 CG ASP A 107 13.780 0.524 5.328 1.00 3.30 C ATOM 1683 OD1 ASP A 107 14.788 -0.212 5.328 1.00 3.41 O ATOM 1684 OD2 ASP A 107 12.976 0.585 6.282 1.00 3.72 O ATOM 0 H ASP A 107 12.978 2.407 1.909 1.00 3.02 H new ATOM 0 HA ASP A 107 13.534 -0.197 2.678 1.00 3.41 H new ATOM 0 HB2 ASP A 107 14.457 1.808 3.755 1.00 3.25 H new ATOM 0 HB3 ASP A 107 12.876 2.223 4.389 1.00 3.25 H new ATOM 1689 N ARG A 108 10.485 0.815 3.427 1.00 2.89 N ATOM 1690 CA ARG A 108 9.173 0.323 3.811 1.00 3.04 C ATOM 1691 C ARG A 108 8.176 0.621 2.713 1.00 2.46 C ATOM 1692 O ARG A 108 7.719 1.756 2.569 1.00 1.90 O ATOM 1693 CB ARG A 108 8.725 1.041 5.078 1.00 3.22 C ATOM 1694 CG ARG A 108 9.247 2.468 5.178 1.00 2.91 C ATOM 1695 CD ARG A 108 10.281 2.611 6.281 1.00 3.48 C ATOM 1696 NE ARG A 108 10.892 3.939 6.290 1.00 3.38 N ATOM 1697 CZ ARG A 108 11.988 4.242 6.978 1.00 3.81 C ATOM 1698 NH1 ARG A 108 12.593 3.316 7.711 1.00 4.30 N ATOM 1699 NH2 ARG A 108 12.482 5.471 6.933 1.00 3.91 N ATOM 0 H ARG A 108 10.513 1.798 3.156 1.00 2.89 H new ATOM 0 HA ARG A 108 9.226 -0.752 3.980 1.00 3.04 H new ATOM 0 HB2 ARG A 108 7.636 1.057 5.113 1.00 3.22 H new ATOM 0 HB3 ARG A 108 9.063 0.476 5.947 1.00 3.22 H new ATOM 0 HG2 ARG A 108 9.688 2.762 4.225 1.00 2.91 H new ATOM 0 HG3 ARG A 108 8.416 3.147 5.368 1.00 2.91 H new ATOM 0 HD2 ARG A 108 9.810 2.422 7.246 1.00 3.48 H new ATOM 0 HD3 ARG A 108 11.056 1.856 6.151 1.00 3.48 H new ATOM 0 HE ARG A 108 10.452 4.675 5.737 1.00 3.38 H new ATOM 0 HH11 ARG A 108 12.217 2.369 7.748 1.00 4.30 H new ATOM 0 HH12 ARG A 108 13.434 3.552 8.238 1.00 4.30 H new ATOM 0 HH21 ARG A 108 12.021 6.186 6.370 1.00 3.91 H new ATOM 0 HH22 ARG A 108 13.323 5.702 7.462 1.00 3.91 H new ATOM 1713 N LYS A 109 7.736 -0.437 2.050 1.00 2.91 N ATOM 1714 CA LYS A 109 6.796 -0.315 0.952 1.00 2.73 C ATOM 1715 C LYS A 109 5.587 -1.230 1.085 1.00 3.05 C ATOM 1716 O LYS A 109 5.695 -2.367 1.543 1.00 3.83 O ATOM 1717 CB LYS A 109 7.503 -0.573 -0.374 1.00 3.38 C ATOM 1718 CG LYS A 109 7.927 0.701 -1.084 1.00 3.27 C ATOM 1719 CD LYS A 109 6.723 1.447 -1.638 1.00 3.31 C ATOM 1720 CE LYS A 109 7.142 2.691 -2.402 1.00 3.81 C ATOM 1721 NZ LYS A 109 8.068 2.370 -3.523 1.00 4.37 N ATOM 0 H LYS A 109 8.018 -1.395 2.257 1.00 2.91 H new ATOM 0 HA LYS A 109 6.417 0.706 0.982 1.00 2.73 H new ATOM 0 HB2 LYS A 109 8.383 -1.191 -0.195 1.00 3.38 H new ATOM 0 HB3 LYS A 109 6.841 -1.142 -1.027 1.00 3.38 H new ATOM 0 HG2 LYS A 109 8.469 1.344 -0.391 1.00 3.27 H new ATOM 0 HG3 LYS A 109 8.613 0.458 -1.896 1.00 3.27 H new ATOM 0 HD2 LYS A 109 6.157 0.788 -2.296 1.00 3.31 H new ATOM 0 HD3 LYS A 109 6.059 1.727 -0.820 1.00 3.31 H new ATOM 0 HE2 LYS A 109 6.257 3.191 -2.795 1.00 3.81 H new ATOM 0 HE3 LYS A 109 7.626 3.390 -1.720 1.00 3.81 H new ATOM 0 HZ1 LYS A 109 8.117 3.179 -4.175 1.00 4.37 H new ATOM 0 HZ2 LYS A 109 9.016 2.173 -3.144 1.00 4.37 H new ATOM 0 HZ3 LYS A 109 7.718 1.534 -4.033 1.00 4.37 H new ATOM 1735 N LEU A 110 4.442 -0.711 0.678 1.00 2.58 N ATOM 1736 CA LEU A 110 3.200 -1.468 0.670 1.00 2.86 C ATOM 1737 C LEU A 110 2.569 -1.344 -0.711 1.00 3.03 C ATOM 1738 O LEU A 110 2.586 -0.267 -1.309 1.00 2.83 O ATOM 1739 CB LEU A 110 2.228 -0.978 1.750 1.00 2.44 C ATOM 1740 CG LEU A 110 2.510 -1.474 3.175 1.00 3.17 C ATOM 1741 CD1 LEU A 110 2.752 -2.978 3.200 1.00 4.14 C ATOM 1742 CD2 LEU A 110 3.691 -0.725 3.776 1.00 3.11 C ATOM 0 H LEU A 110 4.346 0.248 0.343 1.00 2.58 H new ATOM 0 HA LEU A 110 3.420 -2.512 0.893 1.00 2.86 H new ATOM 0 HB2 LEU A 110 2.240 0.112 1.756 1.00 2.44 H new ATOM 0 HB3 LEU A 110 1.220 -1.285 1.471 1.00 2.44 H new ATOM 0 HG LEU A 110 1.628 -1.272 3.782 1.00 3.17 H new ATOM 0 HD11 LEU A 110 2.949 -3.298 4.223 1.00 4.14 H new ATOM 0 HD12 LEU A 110 1.870 -3.495 2.821 1.00 4.14 H new ATOM 0 HD13 LEU A 110 3.611 -3.219 2.573 1.00 4.14 H new ATOM 0 HD21 LEU A 110 3.877 -1.089 4.786 1.00 3.11 H new ATOM 0 HD22 LEU A 110 4.577 -0.890 3.162 1.00 3.11 H new ATOM 0 HD23 LEU A 110 3.466 0.341 3.810 1.00 3.11 H new ATOM 1754 N PHE A 111 2.017 -2.436 -1.221 1.00 3.75 N ATOM 1755 CA PHE A 111 1.417 -2.421 -2.549 1.00 4.24 C ATOM 1756 C PHE A 111 -0.041 -2.856 -2.516 1.00 4.19 C ATOM 1757 O PHE A 111 -0.369 -3.941 -2.039 1.00 4.56 O ATOM 1758 CB PHE A 111 2.208 -3.334 -3.488 1.00 5.34 C ATOM 1759 CG PHE A 111 1.591 -3.486 -4.850 1.00 6.09 C ATOM 1760 CD1 PHE A 111 1.594 -2.432 -5.750 1.00 6.18 C ATOM 1761 CD2 PHE A 111 1.007 -4.684 -5.229 1.00 6.87 C ATOM 1762 CE1 PHE A 111 1.026 -2.572 -7.003 1.00 6.97 C ATOM 1763 CE2 PHE A 111 0.437 -4.828 -6.480 1.00 7.61 C ATOM 1764 CZ PHE A 111 0.447 -3.771 -7.368 1.00 7.63 C ATOM 0 H PHE A 111 1.972 -3.335 -0.742 1.00 3.75 H new ATOM 0 HA PHE A 111 1.451 -1.395 -2.916 1.00 4.24 H new ATOM 0 HB2 PHE A 111 3.217 -2.938 -3.599 1.00 5.34 H new ATOM 0 HB3 PHE A 111 2.300 -4.319 -3.029 1.00 5.34 H new ATOM 0 HD1 PHE A 111 2.045 -1.491 -5.470 1.00 6.18 H new ATOM 0 HD2 PHE A 111 0.997 -5.515 -4.539 1.00 6.87 H new ATOM 0 HE1 PHE A 111 1.035 -1.744 -7.696 1.00 6.97 H new ATOM 0 HE2 PHE A 111 -0.016 -5.767 -6.763 1.00 7.61 H new ATOM 0 HZ PHE A 111 0.003 -3.882 -8.346 1.00 7.63 H new ATOM 1774 N ILE A 112 -0.907 -1.994 -3.039 1.00 3.92 N ATOM 1775 CA ILE A 112 -2.334 -2.270 -3.094 1.00 3.86 C ATOM 1776 C ILE A 112 -2.783 -2.381 -4.549 1.00 4.75 C ATOM 1777 O ILE A 112 -2.479 -1.512 -5.369 1.00 5.06 O ATOM 1778 CB ILE A 112 -3.154 -1.179 -2.375 1.00 2.95 C ATOM 1779 CG1 ILE A 112 -2.584 -0.899 -0.979 1.00 2.19 C ATOM 1780 CG2 ILE A 112 -4.606 -1.610 -2.270 1.00 2.90 C ATOM 1781 CD1 ILE A 112 -1.409 0.055 -0.970 1.00 2.02 C ATOM 0 H ILE A 112 -0.640 -1.092 -3.433 1.00 3.92 H new ATOM 0 HA ILE A 112 -2.512 -3.214 -2.580 1.00 3.86 H new ATOM 0 HB ILE A 112 -3.094 -0.260 -2.958 1.00 2.95 H new ATOM 0 HG12 ILE A 112 -3.375 -0.490 -0.351 1.00 2.19 H new ATOM 0 HG13 ILE A 112 -2.275 -1.842 -0.529 1.00 2.19 H new ATOM 0 HG21 ILE A 112 -5.180 -0.835 -1.761 1.00 2.90 H new ATOM 0 HG22 ILE A 112 -5.013 -1.765 -3.269 1.00 2.90 H new ATOM 0 HG23 ILE A 112 -4.670 -2.539 -1.704 1.00 2.90 H new ATOM 0 HD11 ILE A 112 -1.066 0.200 0.054 1.00 2.02 H new ATOM 0 HD12 ILE A 112 -0.599 -0.360 -1.569 1.00 2.02 H new ATOM 0 HD13 ILE A 112 -1.715 1.014 -1.389 1.00 2.02 H new ATOM 1793 N GLY A 113 -3.517 -3.448 -4.862 1.00 5.33 N ATOM 1794 CA GLY A 113 -3.950 -3.678 -6.231 1.00 6.24 C ATOM 1795 C GLY A 113 -5.346 -3.187 -6.559 1.00 6.09 C ATOM 1796 O GLY A 113 -5.530 -2.475 -7.545 1.00 6.49 O ATOM 0 H GLY A 113 -3.819 -4.156 -4.193 1.00 5.33 H new ATOM 0 HA2 GLY A 113 -3.244 -3.192 -6.905 1.00 6.24 H new ATOM 0 HA3 GLY A 113 -3.901 -4.748 -6.435 1.00 6.24 H new ATOM 1800 N MET A 114 -6.338 -3.576 -5.762 1.00 5.69 N ATOM 1801 CA MET A 114 -7.716 -3.174 -6.034 1.00 5.55 C ATOM 1802 C MET A 114 -8.325 -2.345 -4.910 1.00 4.56 C ATOM 1803 O MET A 114 -8.604 -2.847 -3.821 1.00 4.05 O ATOM 1804 CB MET A 114 -8.581 -4.405 -6.310 1.00 6.00 C ATOM 1805 CG MET A 114 -8.303 -5.574 -5.381 1.00 5.90 C ATOM 1806 SD MET A 114 -8.807 -7.153 -6.094 1.00 7.01 S ATOM 1807 CE MET A 114 -7.929 -8.303 -5.039 1.00 7.54 C ATOM 0 H MET A 114 -6.217 -4.160 -4.935 1.00 5.69 H new ATOM 0 HA MET A 114 -7.690 -2.537 -6.918 1.00 5.55 H new ATOM 0 HB2 MET A 114 -9.631 -4.126 -6.223 1.00 6.00 H new ATOM 0 HB3 MET A 114 -8.421 -4.726 -7.339 1.00 6.00 H new ATOM 0 HG2 MET A 114 -7.238 -5.606 -5.150 1.00 5.90 H new ATOM 0 HG3 MET A 114 -8.829 -5.419 -4.439 1.00 5.90 H new ATOM 0 HE1 MET A 114 -8.446 -9.263 -5.038 1.00 7.54 H new ATOM 0 HE2 MET A 114 -6.914 -8.438 -5.413 1.00 7.54 H new ATOM 0 HE3 MET A 114 -7.892 -7.910 -4.023 1.00 7.54 H new ATOM 1817 N ILE A 115 -8.524 -1.065 -5.202 1.00 4.53 N ATOM 1818 CA ILE A 115 -9.125 -0.125 -4.257 1.00 3.90 C ATOM 1819 C ILE A 115 -10.277 0.637 -4.907 1.00 4.44 C ATOM 1820 O ILE A 115 -10.359 0.726 -6.133 1.00 5.25 O ATOM 1821 CB ILE A 115 -8.099 0.876 -3.696 1.00 3.67 C ATOM 1822 CG1 ILE A 115 -7.185 1.386 -4.809 1.00 4.42 C ATOM 1823 CG2 ILE A 115 -7.296 0.221 -2.585 1.00 2.85 C ATOM 1824 CD1 ILE A 115 -6.238 2.482 -4.370 1.00 4.43 C ATOM 0 H ILE A 115 -8.274 -0.648 -6.099 1.00 4.53 H new ATOM 0 HA ILE A 115 -9.504 -0.720 -3.426 1.00 3.90 H new ATOM 0 HB ILE A 115 -8.627 1.734 -3.281 1.00 3.67 H new ATOM 0 HG12 ILE A 115 -6.603 0.551 -5.199 1.00 4.42 H new ATOM 0 HG13 ILE A 115 -7.800 1.757 -5.629 1.00 4.42 H new ATOM 0 HG21 ILE A 115 -6.571 0.934 -2.191 1.00 2.85 H new ATOM 0 HG22 ILE A 115 -7.968 -0.092 -1.786 1.00 2.85 H new ATOM 0 HG23 ILE A 115 -6.772 -0.649 -2.980 1.00 2.85 H new ATOM 0 HD11 ILE A 115 -5.623 2.791 -5.215 1.00 4.43 H new ATOM 0 HD12 ILE A 115 -6.812 3.335 -4.008 1.00 4.43 H new ATOM 0 HD13 ILE A 115 -5.597 2.110 -3.571 1.00 4.43 H new ATOM 1836 N SER A 116 -11.164 1.183 -4.081 1.00 4.14 N ATOM 1837 CA SER A 116 -12.325 1.912 -4.576 1.00 4.74 C ATOM 1838 C SER A 116 -11.908 3.179 -5.310 1.00 5.61 C ATOM 1839 O SER A 116 -10.973 3.872 -4.911 1.00 5.67 O ATOM 1840 CB SER A 116 -13.255 2.275 -3.419 1.00 4.50 C ATOM 1841 OG SER A 116 -14.434 2.904 -3.889 1.00 4.35 O ATOM 0 H SER A 116 -11.100 1.134 -3.064 1.00 4.14 H new ATOM 0 HA SER A 116 -12.851 1.263 -5.276 1.00 4.74 H new ATOM 0 HB2 SER A 116 -13.517 1.375 -2.863 1.00 4.50 H new ATOM 0 HB3 SER A 116 -12.737 2.938 -2.726 1.00 4.50 H new ATOM 0 HG SER A 116 -15.103 2.222 -4.108 1.00 4.35 H new ATOM 1847 N LYS A 117 -12.622 3.462 -6.392 1.00 6.37 N ATOM 1848 CA LYS A 117 -12.351 4.627 -7.223 1.00 7.35 C ATOM 1849 C LYS A 117 -12.482 5.929 -6.436 1.00 7.65 C ATOM 1850 O LYS A 117 -11.870 6.937 -6.786 1.00 8.40 O ATOM 1851 CB LYS A 117 -13.310 4.654 -8.416 1.00 8.11 C ATOM 1852 CG LYS A 117 -13.001 3.622 -9.495 1.00 8.25 C ATOM 1853 CD LYS A 117 -13.338 2.208 -9.046 1.00 7.50 C ATOM 1854 CE LYS A 117 -12.092 1.440 -8.635 1.00 7.13 C ATOM 1855 NZ LYS A 117 -12.415 0.059 -8.182 1.00 7.69 N ATOM 0 H LYS A 117 -13.403 2.892 -6.717 1.00 6.37 H new ATOM 0 HA LYS A 117 -11.322 4.546 -7.574 1.00 7.35 H new ATOM 0 HB2 LYS A 117 -14.325 4.491 -8.054 1.00 8.11 H new ATOM 0 HB3 LYS A 117 -13.287 5.648 -8.863 1.00 8.11 H new ATOM 0 HG2 LYS A 117 -13.566 3.860 -10.396 1.00 8.25 H new ATOM 0 HG3 LYS A 117 -11.944 3.677 -9.757 1.00 8.25 H new ATOM 0 HD2 LYS A 117 -14.034 2.248 -8.208 1.00 7.50 H new ATOM 0 HD3 LYS A 117 -13.842 1.679 -9.855 1.00 7.50 H new ATOM 0 HE2 LYS A 117 -11.400 1.394 -9.476 1.00 7.13 H new ATOM 0 HE3 LYS A 117 -11.584 1.975 -7.833 1.00 7.13 H new ATOM 0 HZ1 LYS A 117 -11.815 -0.189 -7.369 1.00 7.69 H new ATOM 0 HZ2 LYS A 117 -13.415 0.011 -7.902 1.00 7.69 H new ATOM 0 HZ3 LYS A 117 -12.240 -0.611 -8.958 1.00 7.69 H new ATOM 1869 N LYS A 118 -13.285 5.904 -5.377 1.00 7.20 N ATOM 1870 CA LYS A 118 -13.497 7.091 -4.554 1.00 7.69 C ATOM 1871 C LYS A 118 -12.427 7.216 -3.473 1.00 7.36 C ATOM 1872 O LYS A 118 -12.716 7.603 -2.341 1.00 7.36 O ATOM 1873 CB LYS A 118 -14.888 7.053 -3.913 1.00 7.64 C ATOM 1874 CG LYS A 118 -16.022 7.349 -4.885 1.00 7.99 C ATOM 1875 CD LYS A 118 -16.218 6.223 -5.888 1.00 7.52 C ATOM 1876 CE LYS A 118 -17.402 6.489 -6.803 1.00 7.69 C ATOM 1877 NZ LYS A 118 -17.222 7.736 -7.598 1.00 7.78 N ATOM 0 H LYS A 118 -13.798 5.078 -5.069 1.00 7.20 H new ATOM 0 HA LYS A 118 -13.426 7.963 -5.204 1.00 7.69 H new ATOM 0 HB2 LYS A 118 -15.048 6.069 -3.472 1.00 7.64 H new ATOM 0 HB3 LYS A 118 -14.922 7.777 -3.099 1.00 7.64 H new ATOM 0 HG2 LYS A 118 -16.946 7.504 -4.328 1.00 7.99 H new ATOM 0 HG3 LYS A 118 -15.811 8.277 -5.417 1.00 7.99 H new ATOM 0 HD2 LYS A 118 -15.314 6.106 -6.486 1.00 7.52 H new ATOM 0 HD3 LYS A 118 -16.372 5.284 -5.356 1.00 7.52 H new ATOM 0 HE2 LYS A 118 -17.535 5.644 -7.479 1.00 7.69 H new ATOM 0 HE3 LYS A 118 -18.311 6.567 -6.207 1.00 7.69 H new ATOM 0 HZ1 LYS A 118 -17.963 7.794 -8.326 1.00 7.78 H new ATOM 0 HZ2 LYS A 118 -17.290 8.561 -6.969 1.00 7.78 H new ATOM 0 HZ3 LYS A 118 -16.288 7.725 -8.055 1.00 7.78 H new ATOM 1891 N CYS A 119 -11.189 6.885 -3.830 1.00 7.20 N ATOM 1892 CA CYS A 119 -10.075 6.961 -2.889 1.00 6.89 C ATOM 1893 C CYS A 119 -8.999 7.932 -3.371 1.00 7.58 C ATOM 1894 O CYS A 119 -8.485 7.800 -4.482 1.00 7.88 O ATOM 1895 CB CYS A 119 -9.458 5.578 -2.690 1.00 5.83 C ATOM 1896 SG CYS A 119 -10.593 4.356 -1.993 1.00 5.00 S ATOM 0 H CYS A 119 -10.932 6.562 -4.763 1.00 7.20 H new ATOM 0 HA CYS A 119 -10.470 7.328 -1.942 1.00 6.89 H new ATOM 0 HB2 CYS A 119 -9.093 5.213 -3.650 1.00 5.83 H new ATOM 0 HB3 CYS A 119 -8.592 5.669 -2.034 1.00 5.83 H new ATOM 0 HG CYS A 119 -10.946 3.514 -2.918 1.00 5.00 H new ATOM 1902 N THR A 120 -8.665 8.905 -2.527 1.00 7.94 N ATOM 1903 CA THR A 120 -7.632 9.880 -2.855 1.00 8.60 C ATOM 1904 C THR A 120 -6.310 9.463 -2.225 1.00 8.03 C ATOM 1905 O THR A 120 -6.292 8.604 -1.343 1.00 7.32 O ATOM 1906 CB THR A 120 -7.999 11.290 -2.365 1.00 9.61 C ATOM 1907 OG1 THR A 120 -9.418 11.479 -2.424 1.00 9.96 O ATOM 1908 CG2 THR A 120 -7.309 12.353 -3.208 1.00 10.47 C ATOM 0 H THR A 120 -9.095 9.038 -1.612 1.00 7.94 H new ATOM 0 HA THR A 120 -7.542 9.909 -3.941 1.00 8.60 H new ATOM 0 HB THR A 120 -7.662 11.388 -1.333 1.00 9.61 H new ATOM 0 HG1 THR A 120 -9.641 12.379 -2.108 1.00 9.96 H new ATOM 0 HG21 THR A 120 -7.584 13.342 -2.842 1.00 10.47 H new ATOM 0 HG22 THR A 120 -6.228 12.228 -3.138 1.00 10.47 H new ATOM 0 HG23 THR A 120 -7.620 12.251 -4.248 1.00 10.47 H new ATOM 1916 N GLU A 121 -5.207 10.065 -2.656 1.00 8.38 N ATOM 1917 CA GLU A 121 -3.904 9.697 -2.113 1.00 7.86 C ATOM 1918 C GLU A 121 -3.769 10.108 -0.646 1.00 7.95 C ATOM 1919 O GLU A 121 -3.414 9.287 0.201 1.00 7.23 O ATOM 1920 CB GLU A 121 -2.791 10.321 -2.968 1.00 8.41 C ATOM 1921 CG GLU A 121 -1.504 10.608 -2.209 1.00 8.20 C ATOM 1922 CD GLU A 121 -0.447 11.256 -3.081 1.00 8.99 C ATOM 1923 OE1 GLU A 121 0.190 10.535 -3.878 1.00 9.38 O ATOM 1924 OE2 GLU A 121 -0.255 12.485 -2.967 1.00 9.31 O ATOM 0 H GLU A 121 -5.187 10.797 -3.366 1.00 8.38 H new ATOM 0 HA GLU A 121 -3.810 8.612 -2.148 1.00 7.86 H new ATOM 0 HB2 GLU A 121 -2.568 9.651 -3.798 1.00 8.41 H new ATOM 0 HB3 GLU A 121 -3.159 11.251 -3.400 1.00 8.41 H new ATOM 0 HG2 GLU A 121 -1.723 11.260 -1.364 1.00 8.20 H new ATOM 0 HG3 GLU A 121 -1.112 9.677 -1.800 1.00 8.20 H new ATOM 1931 N ASN A 122 -4.118 11.350 -0.330 1.00 8.92 N ATOM 1932 CA ASN A 122 -4.035 11.826 1.048 1.00 9.27 C ATOM 1933 C ASN A 122 -5.161 11.210 1.858 1.00 8.93 C ATOM 1934 O ASN A 122 -5.030 10.985 3.060 1.00 8.77 O ATOM 1935 CB ASN A 122 -4.115 13.355 1.097 1.00 10.46 C ATOM 1936 CG ASN A 122 -4.115 13.890 2.515 1.00 10.98 C ATOM 1937 OD1 ASN A 122 -3.061 14.162 3.089 1.00 11.25 O ATOM 1938 ND2 ASN A 122 -5.304 14.044 3.088 1.00 11.25 N ATOM 0 H ASN A 122 -4.458 12.040 -1.000 1.00 8.92 H new ATOM 0 HA ASN A 122 -3.077 11.526 1.473 1.00 9.27 H new ATOM 0 HB2 ASN A 122 -3.271 13.778 0.552 1.00 10.46 H new ATOM 0 HB3 ASN A 122 -5.020 13.685 0.587 1.00 10.46 H new ATOM 0 HD21 ASN A 122 -5.368 14.401 4.041 1.00 11.25 H new ATOM 0 HD22 ASN A 122 -6.152 13.806 2.574 1.00 11.25 H new ATOM 1945 N ASP A 123 -6.275 10.943 1.185 1.00 8.91 N ATOM 1946 CA ASP A 123 -7.413 10.319 1.828 1.00 8.65 C ATOM 1947 C ASP A 123 -6.997 8.951 2.330 1.00 7.63 C ATOM 1948 O ASP A 123 -7.440 8.498 3.386 1.00 7.63 O ATOM 1949 CB ASP A 123 -8.579 10.188 0.847 1.00 8.67 C ATOM 1950 CG ASP A 123 -9.865 9.765 1.530 1.00 8.97 C ATOM 1951 OD1 ASP A 123 -10.596 10.651 2.019 1.00 9.52 O ATOM 1952 OD2 ASP A 123 -10.142 8.548 1.575 1.00 8.72 O ATOM 0 H ASP A 123 -6.409 11.151 0.195 1.00 8.91 H new ATOM 0 HA ASP A 123 -7.743 10.937 2.663 1.00 8.65 H new ATOM 0 HB2 ASP A 123 -8.735 11.142 0.343 1.00 8.67 H new ATOM 0 HB3 ASP A 123 -8.323 9.459 0.078 1.00 8.67 H new ATOM 1957 N ILE A 124 -6.110 8.307 1.570 1.00 6.86 N ATOM 1958 CA ILE A 124 -5.616 6.996 1.936 1.00 5.85 C ATOM 1959 C ILE A 124 -4.874 7.098 3.250 1.00 6.05 C ATOM 1960 O ILE A 124 -4.969 6.220 4.108 1.00 5.79 O ATOM 1961 CB ILE A 124 -4.691 6.415 0.842 1.00 5.17 C ATOM 1962 CG1 ILE A 124 -5.521 5.757 -0.265 1.00 4.90 C ATOM 1963 CG2 ILE A 124 -3.697 5.421 1.430 1.00 4.29 C ATOM 1964 CD1 ILE A 124 -6.330 4.563 0.200 1.00 4.19 C ATOM 0 H ILE A 124 -5.725 8.678 0.701 1.00 6.86 H new ATOM 0 HA ILE A 124 -6.464 6.319 2.040 1.00 5.85 H new ATOM 0 HB ILE A 124 -4.122 7.238 0.409 1.00 5.17 H new ATOM 0 HG12 ILE A 124 -6.198 6.499 -0.688 1.00 4.90 H new ATOM 0 HG13 ILE A 124 -4.854 5.441 -1.067 1.00 4.90 H new ATOM 0 HG21 ILE A 124 -3.061 5.030 0.636 1.00 4.29 H new ATOM 0 HG22 ILE A 124 -3.080 5.922 2.176 1.00 4.29 H new ATOM 0 HG23 ILE A 124 -4.238 4.599 1.899 1.00 4.29 H new ATOM 0 HD11 ILE A 124 -6.890 4.153 -0.641 1.00 4.19 H new ATOM 0 HD12 ILE A 124 -5.659 3.801 0.596 1.00 4.19 H new ATOM 0 HD13 ILE A 124 -7.024 4.875 0.980 1.00 4.19 H new ATOM 1976 N ARG A 125 -4.160 8.204 3.410 1.00 6.68 N ATOM 1977 CA ARG A 125 -3.398 8.444 4.612 1.00 7.01 C ATOM 1978 C ARG A 125 -4.281 8.340 5.835 1.00 7.61 C ATOM 1979 O ARG A 125 -3.904 7.730 6.833 1.00 7.60 O ATOM 1980 CB ARG A 125 -2.732 9.826 4.570 1.00 7.78 C ATOM 1981 CG ARG A 125 -1.936 10.152 5.827 1.00 8.22 C ATOM 1982 CD ARG A 125 -0.443 10.102 5.568 1.00 8.67 C ATOM 1983 NE ARG A 125 -0.084 9.007 4.673 1.00 9.09 N ATOM 1984 CZ ARG A 125 -0.433 7.734 4.868 1.00 9.67 C ATOM 1985 NH1 ARG A 125 -1.090 7.384 5.961 1.00 9.86 N ATOM 1986 NH2 ARG A 125 -0.104 6.807 3.978 1.00 10.27 N ATOM 0 H ARG A 125 -4.097 8.948 2.715 1.00 6.68 H new ATOM 0 HA ARG A 125 -2.621 7.682 4.671 1.00 7.01 H new ATOM 0 HB2 ARG A 125 -2.069 9.876 3.706 1.00 7.78 H new ATOM 0 HB3 ARG A 125 -3.499 10.587 4.427 1.00 7.78 H new ATOM 0 HG2 ARG A 125 -2.211 11.144 6.186 1.00 8.22 H new ATOM 0 HG3 ARG A 125 -2.193 9.445 6.616 1.00 8.22 H new ATOM 0 HD2 ARG A 125 -0.118 11.047 5.134 1.00 8.67 H new ATOM 0 HD3 ARG A 125 0.086 9.987 6.514 1.00 8.67 H new ATOM 0 HE ARG A 125 0.469 9.229 3.845 1.00 9.09 H new ATOM 0 HH11 ARG A 125 -1.332 8.088 6.658 1.00 9.86 H new ATOM 0 HH12 ARG A 125 -1.355 6.410 6.107 1.00 9.86 H new ATOM 0 HH21 ARG A 125 0.418 7.066 3.141 1.00 10.27 H new ATOM 0 HH22 ARG A 125 -0.373 5.835 4.131 1.00 10.27 H new ATOM 2000 N VAL A 126 -5.482 8.885 5.727 1.00 8.22 N ATOM 2001 CA VAL A 126 -6.410 8.886 6.837 1.00 8.90 C ATOM 2002 C VAL A 126 -6.628 7.474 7.369 1.00 8.37 C ATOM 2003 O VAL A 126 -6.535 7.236 8.573 1.00 8.88 O ATOM 2004 CB VAL A 126 -7.759 9.499 6.411 1.00 9.46 C ATOM 2005 CG1 VAL A 126 -8.765 9.452 7.552 1.00 10.20 C ATOM 2006 CG2 VAL A 126 -7.557 10.927 5.924 1.00 10.10 C ATOM 0 H VAL A 126 -5.834 9.332 4.880 1.00 8.22 H new ATOM 0 HA VAL A 126 -5.978 9.493 7.633 1.00 8.90 H new ATOM 0 HB VAL A 126 -8.162 8.906 5.590 1.00 9.46 H new ATOM 0 HG11 VAL A 126 -9.708 9.891 7.224 1.00 10.20 H new ATOM 0 HG12 VAL A 126 -8.931 8.416 7.849 1.00 10.20 H new ATOM 0 HG13 VAL A 126 -8.378 10.015 8.401 1.00 10.20 H new ATOM 0 HG21 VAL A 126 -8.517 11.349 5.626 1.00 10.10 H new ATOM 0 HG22 VAL A 126 -7.130 11.528 6.727 1.00 10.10 H new ATOM 0 HG23 VAL A 126 -6.880 10.928 5.070 1.00 10.10 H new ATOM 2016 N MET A 127 -6.841 6.526 6.466 1.00 7.45 N ATOM 2017 CA MET A 127 -7.079 5.147 6.869 1.00 7.01 C ATOM 2018 C MET A 127 -5.830 4.540 7.497 1.00 6.90 C ATOM 2019 O MET A 127 -5.905 3.848 8.515 1.00 7.35 O ATOM 2020 CB MET A 127 -7.512 4.305 5.669 1.00 6.01 C ATOM 2021 CG MET A 127 -8.189 3.002 6.061 1.00 5.80 C ATOM 2022 SD MET A 127 -7.929 1.695 4.850 1.00 4.71 S ATOM 2023 CE MET A 127 -6.195 1.353 5.122 1.00 4.35 C ATOM 0 H MET A 127 -6.854 6.684 5.458 1.00 7.45 H new ATOM 0 HA MET A 127 -7.878 5.149 7.611 1.00 7.01 H new ATOM 0 HB2 MET A 127 -8.194 4.889 5.051 1.00 6.01 H new ATOM 0 HB3 MET A 127 -6.639 4.082 5.056 1.00 6.01 H new ATOM 0 HG2 MET A 127 -7.809 2.676 7.029 1.00 5.80 H new ATOM 0 HG3 MET A 127 -9.259 3.174 6.180 1.00 5.80 H new ATOM 0 HE1 MET A 127 -5.722 1.095 4.174 1.00 4.35 H new ATOM 0 HE2 MET A 127 -5.711 2.236 5.541 1.00 4.35 H new ATOM 0 HE3 MET A 127 -6.093 0.519 5.817 1.00 4.35 H new ATOM 2033 N PHE A 128 -4.674 4.837 6.911 1.00 6.45 N ATOM 2034 CA PHE A 128 -3.418 4.288 7.399 1.00 6.34 C ATOM 2035 C PHE A 128 -2.989 4.968 8.690 1.00 7.39 C ATOM 2036 O PHE A 128 -2.203 4.415 9.459 1.00 7.66 O ATOM 2037 CB PHE A 128 -2.323 4.390 6.333 1.00 5.52 C ATOM 2038 CG PHE A 128 -2.422 3.327 5.276 1.00 4.45 C ATOM 2039 CD1 PHE A 128 -3.361 3.426 4.262 1.00 4.02 C ATOM 2040 CD2 PHE A 128 -1.583 2.226 5.302 1.00 4.07 C ATOM 2041 CE1 PHE A 128 -3.458 2.447 3.290 1.00 3.10 C ATOM 2042 CE2 PHE A 128 -1.675 1.244 4.334 1.00 3.27 C ATOM 2043 CZ PHE A 128 -2.613 1.354 3.327 1.00 2.70 C ATOM 0 H PHE A 128 -4.583 5.452 6.102 1.00 6.45 H new ATOM 0 HA PHE A 128 -3.577 3.232 7.615 1.00 6.34 H new ATOM 0 HB2 PHE A 128 -2.377 5.370 5.859 1.00 5.52 H new ATOM 0 HB3 PHE A 128 -1.348 4.323 6.816 1.00 5.52 H new ATOM 0 HD1 PHE A 128 -4.025 4.277 4.230 1.00 4.02 H new ATOM 0 HD2 PHE A 128 -0.848 2.133 6.088 1.00 4.07 H new ATOM 0 HE1 PHE A 128 -4.193 2.536 2.503 1.00 3.10 H new ATOM 0 HE2 PHE A 128 -1.013 0.391 4.365 1.00 3.27 H new ATOM 0 HZ PHE A 128 -2.686 0.587 2.570 1.00 2.70 H new ATOM 2053 N SER A 129 -3.505 6.171 8.924 1.00 8.07 N ATOM 2054 CA SER A 129 -3.158 6.916 10.123 1.00 9.09 C ATOM 2055 C SER A 129 -3.625 6.169 11.364 1.00 9.73 C ATOM 2056 O SER A 129 -3.088 6.359 12.456 1.00 10.48 O ATOM 2057 CB SER A 129 -3.774 8.315 10.079 1.00 9.77 C ATOM 2058 OG SER A 129 -3.660 8.963 11.333 1.00 10.65 O ATOM 0 H SER A 129 -4.160 6.645 8.302 1.00 8.07 H new ATOM 0 HA SER A 129 -2.074 7.017 10.167 1.00 9.09 H new ATOM 0 HB2 SER A 129 -3.278 8.910 9.312 1.00 9.77 H new ATOM 0 HB3 SER A 129 -4.825 8.244 9.797 1.00 9.77 H new ATOM 0 HG SER A 129 -4.060 9.856 11.277 1.00 10.65 H new ATOM 2064 N SER A 130 -4.630 5.314 11.188 1.00 9.49 N ATOM 2065 CA SER A 130 -5.168 4.534 12.294 1.00 10.16 C ATOM 2066 C SER A 130 -4.132 3.539 12.808 1.00 10.26 C ATOM 2067 O SER A 130 -4.180 3.120 13.965 1.00 11.09 O ATOM 2068 CB SER A 130 -6.429 3.790 11.854 1.00 9.81 C ATOM 2069 OG SER A 130 -7.421 4.693 11.400 1.00 10.25 O ATOM 0 H SER A 130 -5.086 5.146 10.291 1.00 9.49 H new ATOM 0 HA SER A 130 -5.422 5.220 13.102 1.00 10.16 H new ATOM 0 HB2 SER A 130 -6.181 3.087 11.059 1.00 9.81 H new ATOM 0 HB3 SER A 130 -6.819 3.205 12.687 1.00 9.81 H new ATOM 0 HG SER A 130 -8.217 4.193 11.123 1.00 10.25 H new ATOM 2075 N PHE A 131 -3.194 3.169 11.940 1.00 9.46 N ATOM 2076 CA PHE A 131 -2.150 2.217 12.300 1.00 9.57 C ATOM 2077 C PHE A 131 -1.020 2.889 13.074 1.00 9.98 C ATOM 2078 O PHE A 131 -0.750 2.532 14.222 1.00 10.80 O ATOM 2079 CB PHE A 131 -1.597 1.542 11.044 1.00 8.58 C ATOM 2080 CG PHE A 131 -2.661 0.973 10.147 1.00 8.00 C ATOM 2081 CD1 PHE A 131 -3.712 0.238 10.672 1.00 8.07 C ATOM 2082 CD2 PHE A 131 -2.608 1.174 8.778 1.00 7.49 C ATOM 2083 CE1 PHE A 131 -4.691 -0.283 9.849 1.00 7.58 C ATOM 2084 CE2 PHE A 131 -3.584 0.655 7.949 1.00 6.97 C ATOM 2085 CZ PHE A 131 -4.627 -0.073 8.485 1.00 6.97 C ATOM 0 H PHE A 131 -3.137 3.515 10.982 1.00 9.46 H new ATOM 0 HA PHE A 131 -2.597 1.463 12.948 1.00 9.57 H new ATOM 0 HB2 PHE A 131 -1.009 2.267 10.481 1.00 8.58 H new ATOM 0 HB3 PHE A 131 -0.918 0.742 11.341 1.00 8.58 H new ATOM 0 HD1 PHE A 131 -3.766 0.071 11.738 1.00 8.07 H new ATOM 0 HD2 PHE A 131 -1.794 1.743 8.353 1.00 7.49 H new ATOM 0 HE1 PHE A 131 -5.505 -0.854 10.271 1.00 7.58 H new ATOM 0 HE2 PHE A 131 -3.531 0.819 6.883 1.00 6.97 H new ATOM 0 HZ PHE A 131 -5.392 -0.478 7.839 1.00 6.97 H new ATOM 2095 N GLY A 132 -0.358 3.861 12.448 1.00 9.45 N ATOM 2096 CA GLY A 132 0.738 4.546 13.113 1.00 9.82 C ATOM 2097 C GLY A 132 1.301 5.702 12.308 1.00 9.42 C ATOM 2098 O GLY A 132 0.559 6.440 11.660 1.00 9.41 O ATOM 0 H GLY A 132 -0.559 4.184 11.501 1.00 9.45 H new ATOM 0 HA2 GLY A 132 0.393 4.918 14.077 1.00 9.82 H new ATOM 0 HA3 GLY A 132 1.535 3.831 13.315 1.00 9.82 H new ATOM 2102 N GLN A 133 2.624 5.854 12.353 1.00 9.20 N ATOM 2103 CA GLN A 133 3.306 6.932 11.638 1.00 8.95 C ATOM 2104 C GLN A 133 3.581 6.546 10.188 1.00 7.78 C ATOM 2105 O GLN A 133 4.161 5.496 9.917 1.00 7.16 O ATOM 2106 CB GLN A 133 4.628 7.267 12.331 1.00 9.43 C ATOM 2107 CG GLN A 133 4.989 8.745 12.312 1.00 9.26 C ATOM 2108 CD GLN A 133 4.477 9.472 11.082 1.00 9.65 C ATOM 2109 OE1 GLN A 133 3.361 9.991 11.075 1.00 10.41 O ATOM 2110 NE2 GLN A 133 5.292 9.516 10.037 1.00 9.25 N ATOM 0 H GLN A 133 3.247 5.241 12.879 1.00 9.20 H new ATOM 0 HA GLN A 133 2.652 7.804 11.648 1.00 8.95 H new ATOM 0 HB2 GLN A 133 4.577 6.931 13.367 1.00 9.43 H new ATOM 0 HB3 GLN A 133 5.429 6.703 11.852 1.00 9.43 H new ATOM 0 HG2 GLN A 133 4.582 9.223 13.203 1.00 9.26 H new ATOM 0 HG3 GLN A 133 6.073 8.848 12.361 1.00 9.26 H new ATOM 0 HE21 GLN A 133 6.209 9.072 10.086 1.00 9.25 H new ATOM 0 HE22 GLN A 133 5.002 9.994 9.184 1.00 9.25 H new ATOM 2119 N ILE A 134 3.176 7.407 9.260 1.00 7.58 N ATOM 2120 CA ILE A 134 3.388 7.153 7.839 1.00 6.58 C ATOM 2121 C ILE A 134 4.451 8.077 7.266 1.00 6.62 C ATOM 2122 O ILE A 134 4.435 9.287 7.496 1.00 7.42 O ATOM 2123 CB ILE A 134 2.079 7.312 7.033 1.00 6.45 C ATOM 2124 CG1 ILE A 134 1.219 6.056 7.185 1.00 6.02 C ATOM 2125 CG2 ILE A 134 2.357 7.600 5.554 1.00 5.90 C ATOM 2126 CD1 ILE A 134 0.119 6.191 8.217 1.00 6.94 C ATOM 0 H ILE A 134 2.700 8.285 9.466 1.00 7.58 H new ATOM 0 HA ILE A 134 3.730 6.122 7.751 1.00 6.58 H new ATOM 0 HB ILE A 134 1.536 8.168 7.434 1.00 6.45 H new ATOM 0 HG12 ILE A 134 0.772 5.814 6.221 1.00 6.02 H new ATOM 0 HG13 ILE A 134 1.861 5.218 7.459 1.00 6.02 H new ATOM 0 HG21 ILE A 134 1.413 7.705 5.020 1.00 5.90 H new ATOM 0 HG22 ILE A 134 2.929 8.523 5.464 1.00 5.90 H new ATOM 0 HG23 ILE A 134 2.927 6.776 5.124 1.00 5.90 H new ATOM 0 HD11 ILE A 134 -0.448 5.261 8.268 1.00 6.94 H new ATOM 0 HD12 ILE A 134 0.559 6.402 9.192 1.00 6.94 H new ATOM 0 HD13 ILE A 134 -0.547 7.007 7.935 1.00 6.94 H new ATOM 2138 N GLU A 135 5.367 7.492 6.504 1.00 5.83 N ATOM 2139 CA GLU A 135 6.435 8.247 5.875 1.00 5.88 C ATOM 2140 C GLU A 135 5.945 8.901 4.590 1.00 5.91 C ATOM 2141 O GLU A 135 6.147 10.096 4.376 1.00 6.67 O ATOM 2142 CB GLU A 135 7.625 7.338 5.577 1.00 5.10 C ATOM 2143 CG GLU A 135 8.421 6.963 6.815 1.00 5.50 C ATOM 2144 CD GLU A 135 8.984 8.174 7.533 1.00 6.06 C ATOM 2145 OE1 GLU A 135 8.274 8.741 8.390 1.00 6.66 O ATOM 2146 OE2 GLU A 135 10.137 8.555 7.239 1.00 6.00 O ATOM 0 H GLU A 135 5.388 6.491 6.308 1.00 5.83 H new ATOM 0 HA GLU A 135 6.752 9.029 6.565 1.00 5.88 H new ATOM 0 HB2 GLU A 135 7.266 6.428 5.095 1.00 5.10 H new ATOM 0 HB3 GLU A 135 8.285 7.836 4.867 1.00 5.10 H new ATOM 0 HG2 GLU A 135 7.782 6.404 7.498 1.00 5.50 H new ATOM 0 HG3 GLU A 135 9.239 6.301 6.530 1.00 5.50 H new ATOM 2153 N GLU A 136 5.301 8.111 3.730 1.00 5.21 N ATOM 2154 CA GLU A 136 4.795 8.632 2.463 1.00 5.43 C ATOM 2155 C GLU A 136 3.496 7.944 2.040 1.00 5.05 C ATOM 2156 O GLU A 136 3.295 6.758 2.300 1.00 4.20 O ATOM 2157 CB GLU A 136 5.852 8.464 1.371 1.00 5.17 C ATOM 2158 CG GLU A 136 5.572 9.276 0.116 1.00 5.90 C ATOM 2159 CD GLU A 136 6.714 9.219 -0.880 1.00 5.96 C ATOM 2160 OE1 GLU A 136 7.853 9.564 -0.497 1.00 6.14 O ATOM 2161 OE2 GLU A 136 6.472 8.826 -2.041 1.00 5.95 O ATOM 0 H GLU A 136 5.120 7.119 3.886 1.00 5.21 H new ATOM 0 HA GLU A 136 4.577 9.691 2.605 1.00 5.43 H new ATOM 0 HB2 GLU A 136 6.824 8.754 1.771 1.00 5.17 H new ATOM 0 HB3 GLU A 136 5.920 7.410 1.103 1.00 5.17 H new ATOM 0 HG2 GLU A 136 4.663 8.905 -0.357 1.00 5.90 H new ATOM 0 HG3 GLU A 136 5.387 10.314 0.393 1.00 5.90 H new ATOM 2168 N CYS A 137 2.615 8.704 1.389 1.00 5.74 N ATOM 2169 CA CYS A 137 1.343 8.174 0.903 1.00 5.52 C ATOM 2170 C CYS A 137 1.227 8.415 -0.593 1.00 5.95 C ATOM 2171 O CYS A 137 1.413 9.535 -1.067 1.00 6.88 O ATOM 2172 CB CYS A 137 0.164 8.821 1.630 1.00 6.14 C ATOM 2173 SG CYS A 137 0.059 10.614 1.423 1.00 7.54 S ATOM 0 H CYS A 137 2.761 9.693 1.186 1.00 5.74 H new ATOM 0 HA CYS A 137 1.317 7.103 1.103 1.00 5.52 H new ATOM 0 HB2 CYS A 137 -0.761 8.370 1.271 1.00 6.14 H new ATOM 0 HB3 CYS A 137 0.238 8.593 2.693 1.00 6.14 H new ATOM 0 HG CYS A 137 0.585 10.951 0.283 1.00 7.54 H new ATOM 2179 N ARG A 138 0.921 7.359 -1.334 1.00 5.43 N ATOM 2180 CA ARG A 138 0.818 7.459 -2.780 1.00 6.08 C ATOM 2181 C ARG A 138 -0.376 6.692 -3.316 1.00 5.90 C ATOM 2182 O ARG A 138 -0.732 5.628 -2.813 1.00 5.02 O ATOM 2183 CB ARG A 138 2.093 6.938 -3.435 1.00 6.07 C ATOM 2184 CG ARG A 138 3.242 6.736 -2.459 1.00 5.34 C ATOM 2185 CD ARG A 138 4.470 6.170 -3.148 1.00 5.40 C ATOM 2186 NE ARG A 138 5.565 5.946 -2.209 1.00 4.64 N ATOM 2187 CZ ARG A 138 6.849 5.970 -2.556 1.00 4.78 C ATOM 2188 NH1 ARG A 138 7.194 6.202 -3.815 1.00 5.71 N ATOM 2189 NH2 ARG A 138 7.788 5.764 -1.644 1.00 4.08 N ATOM 0 H ARG A 138 0.741 6.428 -0.958 1.00 5.43 H new ATOM 0 HA ARG A 138 0.680 8.512 -3.024 1.00 6.08 H new ATOM 0 HB2 ARG A 138 1.876 5.991 -3.929 1.00 6.07 H new ATOM 0 HB3 ARG A 138 2.405 7.638 -4.210 1.00 6.07 H new ATOM 0 HG2 ARG A 138 3.493 7.688 -1.991 1.00 5.34 H new ATOM 0 HG3 ARG A 138 2.928 6.062 -1.662 1.00 5.34 H new ATOM 0 HD2 ARG A 138 4.212 5.230 -3.636 1.00 5.40 H new ATOM 0 HD3 ARG A 138 4.796 6.856 -3.930 1.00 5.40 H new ATOM 0 HE ARG A 138 5.333 5.761 -1.233 1.00 4.64 H new ATOM 0 HH11 ARG A 138 6.474 6.363 -4.520 1.00 5.71 H new ATOM 0 HH12 ARG A 138 8.179 6.220 -4.079 1.00 5.71 H new ATOM 0 HH21 ARG A 138 7.527 5.587 -0.674 1.00 4.08 H new ATOM 0 HH22 ARG A 138 8.772 5.783 -1.912 1.00 4.08 H new ATOM 2203 N ILE A 139 -0.999 7.262 -4.332 1.00 6.77 N ATOM 2204 CA ILE A 139 -2.138 6.645 -4.979 1.00 6.80 C ATOM 2205 C ILE A 139 -2.052 6.833 -6.480 1.00 7.75 C ATOM 2206 O ILE A 139 -1.531 7.840 -6.958 1.00 8.55 O ATOM 2207 CB ILE A 139 -3.491 7.196 -4.458 1.00 6.95 C ATOM 2208 CG1 ILE A 139 -4.260 6.069 -3.764 1.00 5.96 C ATOM 2209 CG2 ILE A 139 -4.321 7.813 -5.589 1.00 7.85 C ATOM 2210 CD1 ILE A 139 -5.729 6.360 -3.544 1.00 6.13 C ATOM 0 H ILE A 139 -0.729 8.162 -4.729 1.00 6.77 H new ATOM 0 HA ILE A 139 -2.104 5.583 -4.735 1.00 6.80 H new ATOM 0 HB ILE A 139 -3.293 7.992 -3.741 1.00 6.95 H new ATOM 0 HG12 ILE A 139 -4.167 5.161 -4.360 1.00 5.96 H new ATOM 0 HG13 ILE A 139 -3.793 5.867 -2.800 1.00 5.96 H new ATOM 0 HG21 ILE A 139 -5.262 8.188 -5.187 1.00 7.85 H new ATOM 0 HG22 ILE A 139 -3.766 8.635 -6.041 1.00 7.85 H new ATOM 0 HG23 ILE A 139 -4.526 7.055 -6.345 1.00 7.85 H new ATOM 0 HD11 ILE A 139 -6.198 5.510 -3.047 1.00 6.13 H new ATOM 0 HD12 ILE A 139 -5.835 7.248 -2.921 1.00 6.13 H new ATOM 0 HD13 ILE A 139 -6.214 6.531 -4.505 1.00 6.13 H new ATOM 2222 N LEU A 140 -2.557 5.865 -7.219 1.00 7.74 N ATOM 2223 CA LEU A 140 -2.557 5.960 -8.658 1.00 8.72 C ATOM 2224 C LEU A 140 -3.991 5.937 -9.147 1.00 9.04 C ATOM 2225 O LEU A 140 -4.755 4.982 -8.901 1.00 8.48 O ATOM 2226 CB LEU A 140 -1.767 4.806 -9.269 1.00 8.72 C ATOM 2227 CG LEU A 140 -0.417 4.530 -8.607 1.00 8.18 C ATOM 2228 CD1 LEU A 140 0.249 3.315 -9.236 1.00 8.31 C ATOM 2229 CD2 LEU A 140 0.490 5.748 -8.711 1.00 8.71 C ATOM 0 H LEU A 140 -2.969 5.010 -6.846 1.00 7.74 H new ATOM 0 HA LEU A 140 -2.080 6.891 -8.964 1.00 8.72 H new ATOM 0 HB2 LEU A 140 -2.373 3.902 -9.216 1.00 8.72 H new ATOM 0 HB3 LEU A 140 -1.601 5.017 -10.325 1.00 8.72 H new ATOM 0 HG LEU A 140 -0.591 4.320 -7.552 1.00 8.18 H new ATOM 0 HD11 LEU A 140 1.209 3.135 -8.752 1.00 8.31 H new ATOM 0 HD12 LEU A 140 -0.392 2.442 -9.109 1.00 8.31 H new ATOM 0 HD13 LEU A 140 0.408 3.497 -10.299 1.00 8.31 H new ATOM 0 HD21 LEU A 140 1.446 5.532 -8.234 1.00 8.71 H new ATOM 0 HD22 LEU A 140 0.655 5.990 -9.761 1.00 8.71 H new ATOM 0 HD23 LEU A 140 0.020 6.596 -8.213 1.00 8.71 H new ATOM 2241 N ARG A 141 -4.314 7.015 -9.849 1.00 9.99 N ATOM 2242 CA ARG A 141 -5.628 7.263 -10.403 1.00 10.47 C ATOM 2243 C ARG A 141 -5.501 7.807 -11.824 1.00 11.63 C ATOM 2244 O ARG A 141 -4.527 8.493 -12.140 1.00 12.15 O ATOM 2245 CB ARG A 141 -6.379 8.244 -9.499 1.00 10.48 C ATOM 2246 CG ARG A 141 -5.522 9.391 -8.982 1.00 10.88 C ATOM 2247 CD ARG A 141 -5.635 10.609 -9.879 1.00 11.35 C ATOM 2248 NE ARG A 141 -7.019 11.059 -9.996 1.00 11.42 N ATOM 2249 CZ ARG A 141 -7.391 12.142 -10.674 1.00 11.99 C ATOM 2250 NH1 ARG A 141 -6.483 12.885 -11.294 1.00 12.56 N ATOM 2251 NH2 ARG A 141 -8.671 12.481 -10.734 1.00 12.08 N ATOM 0 H ARG A 141 -3.646 7.759 -10.052 1.00 9.99 H new ATOM 0 HA ARG A 141 -6.192 6.332 -10.451 1.00 10.47 H new ATOM 0 HB2 ARG A 141 -7.224 8.656 -10.050 1.00 10.48 H new ATOM 0 HB3 ARG A 141 -6.788 7.698 -8.649 1.00 10.48 H new ATOM 0 HG2 ARG A 141 -5.831 9.652 -7.970 1.00 10.88 H new ATOM 0 HG3 ARG A 141 -4.481 9.073 -8.925 1.00 10.88 H new ATOM 0 HD2 ARG A 141 -5.021 11.416 -9.478 1.00 11.35 H new ATOM 0 HD3 ARG A 141 -5.243 10.372 -10.868 1.00 11.35 H new ATOM 0 HE ARG A 141 -7.743 10.511 -9.531 1.00 11.42 H new ATOM 0 HH11 ARG A 141 -5.497 12.627 -11.252 1.00 12.56 H new ATOM 0 HH12 ARG A 141 -6.771 13.715 -11.813 1.00 12.56 H new ATOM 0 HH21 ARG A 141 -9.372 11.912 -10.260 1.00 12.08 H new ATOM 0 HH22 ARG A 141 -8.955 13.311 -11.254 1.00 12.08 H new ATOM 2265 N GLY A 142 -6.472 7.508 -12.681 1.00 12.05 N ATOM 2266 CA GLY A 142 -6.401 7.979 -14.054 1.00 13.16 C ATOM 2267 C GLY A 142 -7.458 9.023 -14.378 1.00 13.83 C ATOM 2268 O GLY A 142 -8.537 9.021 -13.784 1.00 13.45 O ATOM 0 H GLY A 142 -7.298 6.955 -12.454 1.00 12.05 H new ATOM 0 HA2 GLY A 142 -5.413 8.401 -14.237 1.00 13.16 H new ATOM 0 HA3 GLY A 142 -6.516 7.131 -14.730 1.00 13.16 H new ATOM 2272 N PRO A 143 -7.168 9.937 -15.329 1.00 14.87 N ATOM 2273 CA PRO A 143 -8.095 11.011 -15.720 1.00 15.64 C ATOM 2274 C PRO A 143 -9.386 10.503 -16.355 1.00 15.86 C ATOM 2275 O PRO A 143 -10.204 11.296 -16.823 1.00 16.55 O ATOM 2276 CB PRO A 143 -7.293 11.829 -16.738 1.00 16.66 C ATOM 2277 CG PRO A 143 -6.260 10.890 -17.254 1.00 16.59 C ATOM 2278 CD PRO A 143 -5.912 9.995 -16.100 1.00 15.42 C ATOM 0 HA PRO A 143 -8.424 11.577 -14.848 1.00 15.64 H new ATOM 0 HB2 PRO A 143 -7.932 12.195 -17.542 1.00 16.66 H new ATOM 0 HB3 PRO A 143 -6.836 12.702 -16.272 1.00 16.66 H new ATOM 0 HG2 PRO A 143 -6.641 10.313 -18.096 1.00 16.59 H new ATOM 0 HG3 PRO A 143 -5.382 11.430 -17.609 1.00 16.59 H new ATOM 0 HD2 PRO A 143 -5.600 9.006 -16.437 1.00 15.42 H new ATOM 0 HD3 PRO A 143 -5.094 10.403 -15.507 1.00 15.42 H new ATOM 2286 N ASP A 144 -9.570 9.187 -16.375 1.00 15.31 N ATOM 2287 CA ASP A 144 -10.774 8.599 -16.951 1.00 15.50 C ATOM 2288 C ASP A 144 -12.018 9.130 -16.243 1.00 15.23 C ATOM 2289 O ASP A 144 -13.130 9.040 -16.763 1.00 15.58 O ATOM 2290 CB ASP A 144 -10.725 7.074 -16.850 1.00 14.89 C ATOM 2291 CG ASP A 144 -11.927 6.412 -17.494 1.00 15.23 C ATOM 2292 OD1 ASP A 144 -12.948 6.227 -16.797 1.00 15.02 O ATOM 2293 OD2 ASP A 144 -11.849 6.076 -18.694 1.00 15.79 O ATOM 0 H ASP A 144 -8.905 8.510 -16.001 1.00 15.31 H new ATOM 0 HA ASP A 144 -10.823 8.879 -18.003 1.00 15.50 H new ATOM 0 HB2 ASP A 144 -9.815 6.710 -17.327 1.00 14.89 H new ATOM 0 HB3 ASP A 144 -10.673 6.784 -15.801 1.00 14.89 H new ATOM 2298 N GLY A 145 -11.813 9.685 -15.052 1.00 14.64 N ATOM 2299 CA GLY A 145 -12.911 10.227 -14.277 1.00 14.42 C ATOM 2300 C GLY A 145 -12.906 9.702 -12.859 1.00 13.31 C ATOM 2301 O GLY A 145 -13.635 10.195 -11.998 1.00 13.11 O ATOM 0 H GLY A 145 -10.898 9.768 -14.609 1.00 14.64 H new ATOM 0 HA2 GLY A 145 -12.844 11.315 -14.263 1.00 14.42 H new ATOM 0 HA3 GLY A 145 -13.856 9.972 -14.756 1.00 14.42 H new ATOM 2305 N LEU A 146 -12.075 8.693 -12.623 1.00 12.64 N ATOM 2306 CA LEU A 146 -11.962 8.075 -11.310 1.00 11.55 C ATOM 2307 C LEU A 146 -10.586 7.438 -11.125 1.00 11.12 C ATOM 2308 O LEU A 146 -9.782 7.400 -12.056 1.00 11.67 O ATOM 2309 CB LEU A 146 -13.063 7.021 -11.115 1.00 10.90 C ATOM 2310 CG LEU A 146 -13.361 6.102 -12.317 1.00 11.20 C ATOM 2311 CD1 LEU A 146 -14.170 6.834 -13.377 1.00 12.22 C ATOM 2312 CD2 LEU A 146 -12.078 5.545 -12.919 1.00 11.35 C ATOM 0 H LEU A 146 -11.466 8.284 -13.331 1.00 12.64 H new ATOM 0 HA LEU A 146 -12.085 8.855 -10.558 1.00 11.55 H new ATOM 0 HB2 LEU A 146 -12.788 6.394 -10.267 1.00 10.90 H new ATOM 0 HB3 LEU A 146 -13.984 7.537 -10.844 1.00 10.90 H new ATOM 0 HG LEU A 146 -13.954 5.265 -11.949 1.00 11.20 H new ATOM 0 HD11 LEU A 146 -14.366 6.163 -14.213 1.00 12.22 H new ATOM 0 HD12 LEU A 146 -15.116 7.165 -12.948 1.00 12.22 H new ATOM 0 HD13 LEU A 146 -13.609 7.699 -13.730 1.00 12.22 H new ATOM 0 HD21 LEU A 146 -12.322 4.901 -13.764 1.00 11.35 H new ATOM 0 HD22 LEU A 146 -11.449 6.367 -13.259 1.00 11.35 H new ATOM 0 HD23 LEU A 146 -11.543 4.967 -12.165 1.00 11.35 H new ATOM 2324 N SER A 147 -10.319 6.944 -9.921 1.00 10.17 N ATOM 2325 CA SER A 147 -9.047 6.299 -9.629 1.00 9.69 C ATOM 2326 C SER A 147 -9.012 4.891 -10.210 1.00 9.46 C ATOM 2327 O SER A 147 -9.877 4.069 -9.912 1.00 8.99 O ATOM 2328 CB SER A 147 -8.815 6.246 -8.118 1.00 8.75 C ATOM 2329 OG SER A 147 -7.583 5.616 -7.813 1.00 8.22 O ATOM 0 H SER A 147 -10.966 6.978 -9.133 1.00 10.17 H new ATOM 0 HA SER A 147 -8.252 6.885 -10.090 1.00 9.69 H new ATOM 0 HB2 SER A 147 -8.821 7.257 -7.710 1.00 8.75 H new ATOM 0 HB3 SER A 147 -9.632 5.705 -7.640 1.00 8.75 H new ATOM 0 HG SER A 147 -7.457 5.596 -6.841 1.00 8.22 H new ATOM 2335 N ARG A 148 -8.004 4.621 -11.043 1.00 9.89 N ATOM 2336 CA ARG A 148 -7.853 3.307 -11.659 1.00 9.93 C ATOM 2337 C ARG A 148 -7.998 2.212 -10.609 1.00 8.90 C ATOM 2338 O ARG A 148 -8.502 1.128 -10.898 1.00 8.92 O ATOM 2339 CB ARG A 148 -6.508 3.196 -12.382 1.00 10.37 C ATOM 2340 CG ARG A 148 -5.310 3.519 -11.509 1.00 9.67 C ATOM 2341 CD ARG A 148 -4.779 2.278 -10.814 1.00 9.77 C ATOM 2342 NE ARG A 148 -4.274 1.291 -11.767 1.00 10.74 N ATOM 2343 CZ ARG A 148 -4.425 -0.023 -11.619 1.00 11.24 C ATOM 2344 NH1 ARG A 148 -5.069 -0.508 -10.566 1.00 10.90 N ATOM 2345 NH2 ARG A 148 -3.933 -0.854 -12.528 1.00 12.22 N ATOM 0 H ARG A 148 -7.284 5.295 -11.304 1.00 9.89 H new ATOM 0 HA ARG A 148 -8.642 3.180 -12.400 1.00 9.93 H new ATOM 0 HB2 ARG A 148 -6.399 2.184 -12.771 1.00 10.37 H new ATOM 0 HB3 ARG A 148 -6.512 3.869 -13.240 1.00 10.37 H new ATOM 0 HG2 ARG A 148 -4.522 3.961 -12.119 1.00 9.67 H new ATOM 0 HG3 ARG A 148 -5.591 4.263 -10.764 1.00 9.67 H new ATOM 0 HD2 ARG A 148 -3.981 2.560 -10.127 1.00 9.77 H new ATOM 0 HD3 ARG A 148 -5.572 1.831 -10.215 1.00 9.77 H new ATOM 0 HE ARG A 148 -3.778 1.628 -12.592 1.00 10.74 H new ATOM 0 HH11 ARG A 148 -5.451 0.127 -9.865 1.00 10.90 H new ATOM 0 HH12 ARG A 148 -5.182 -1.516 -10.457 1.00 10.90 H new ATOM 0 HH21 ARG A 148 -3.439 -0.486 -13.341 1.00 12.22 H new ATOM 0 HH22 ARG A 148 -4.049 -1.861 -12.414 1.00 12.22 H new ATOM 2359 N GLY A 149 -7.541 2.499 -9.389 1.00 8.07 N ATOM 2360 CA GLY A 149 -7.681 1.540 -8.311 1.00 7.06 C ATOM 2361 C GLY A 149 -6.378 0.976 -7.770 1.00 6.63 C ATOM 2362 O GLY A 149 -6.354 -0.177 -7.345 1.00 6.24 O ATOM 0 H GLY A 149 -7.080 3.372 -9.133 1.00 8.07 H new ATOM 0 HA2 GLY A 149 -8.220 2.016 -7.492 1.00 7.06 H new ATOM 0 HA3 GLY A 149 -8.298 0.713 -8.661 1.00 7.06 H new ATOM 2366 N CYS A 150 -5.294 1.758 -7.756 1.00 6.80 N ATOM 2367 CA CYS A 150 -4.028 1.246 -7.210 1.00 6.41 C ATOM 2368 C CYS A 150 -3.392 2.263 -6.280 1.00 5.95 C ATOM 2369 O CYS A 150 -3.561 3.458 -6.464 1.00 6.46 O ATOM 2370 CB CYS A 150 -3.055 0.845 -8.317 1.00 7.32 C ATOM 2371 SG CYS A 150 -1.362 0.568 -7.745 1.00 8.04 S ATOM 0 H CYS A 150 -5.262 2.717 -8.103 1.00 6.80 H new ATOM 0 HA CYS A 150 -4.260 0.349 -6.636 1.00 6.41 H new ATOM 0 HB2 CYS A 150 -3.419 -0.064 -8.795 1.00 7.32 H new ATOM 0 HB3 CYS A 150 -3.047 1.624 -9.079 1.00 7.32 H new ATOM 0 HG CYS A 150 -1.375 -0.240 -6.727 1.00 8.04 H new ATOM 2377 N ALA A 151 -2.693 1.782 -5.252 1.00 5.10 N ATOM 2378 CA ALA A 151 -2.061 2.678 -4.288 1.00 4.66 C ATOM 2379 C ALA A 151 -0.739 2.137 -3.745 1.00 4.11 C ATOM 2380 O ALA A 151 -0.545 0.928 -3.627 1.00 3.84 O ATOM 2381 CB ALA A 151 -3.013 2.966 -3.142 1.00 4.12 C ATOM 0 H ALA A 151 -2.552 0.789 -5.068 1.00 5.10 H new ATOM 0 HA ALA A 151 -1.830 3.600 -4.822 1.00 4.66 H new ATOM 0 HB1 ALA A 151 -2.532 3.635 -2.429 1.00 4.12 H new ATOM 0 HB2 ALA A 151 -3.916 3.437 -3.529 1.00 4.12 H new ATOM 0 HB3 ALA A 151 -3.276 2.033 -2.644 1.00 4.12 H new ATOM 2387 N PHE A 152 0.169 3.061 -3.434 1.00 4.15 N ATOM 2388 CA PHE A 152 1.473 2.728 -2.865 1.00 3.65 C ATOM 2389 C PHE A 152 1.643 3.463 -1.537 1.00 3.07 C ATOM 2390 O PHE A 152 1.228 4.613 -1.409 1.00 3.60 O ATOM 2391 CB PHE A 152 2.599 3.124 -3.822 1.00 4.44 C ATOM 2392 CG PHE A 152 2.819 2.151 -4.945 1.00 5.27 C ATOM 2393 CD1 PHE A 152 2.067 2.228 -6.107 1.00 5.74 C ATOM 2394 CD2 PHE A 152 3.785 1.163 -4.841 1.00 5.76 C ATOM 2395 CE1 PHE A 152 2.274 1.337 -7.143 1.00 6.61 C ATOM 2396 CE2 PHE A 152 3.996 0.269 -5.874 1.00 6.72 C ATOM 2397 CZ PHE A 152 3.240 0.356 -7.026 1.00 7.13 C ATOM 0 H PHE A 152 0.021 4.061 -3.570 1.00 4.15 H new ATOM 0 HA PHE A 152 1.523 1.651 -2.703 1.00 3.65 H new ATOM 0 HB2 PHE A 152 2.376 4.104 -4.243 1.00 4.44 H new ATOM 0 HB3 PHE A 152 3.525 3.224 -3.255 1.00 4.44 H new ATOM 0 HD1 PHE A 152 1.311 2.993 -6.204 1.00 5.74 H new ATOM 0 HD2 PHE A 152 4.380 1.091 -3.943 1.00 5.76 H new ATOM 0 HE1 PHE A 152 1.681 1.407 -8.043 1.00 6.61 H new ATOM 0 HE2 PHE A 152 4.752 -0.497 -5.780 1.00 6.72 H new ATOM 0 HZ PHE A 152 3.403 -0.341 -7.834 1.00 7.13 H new ATOM 2407 N VAL A 153 2.243 2.805 -0.551 1.00 2.26 N ATOM 2408 CA VAL A 153 2.427 3.417 0.766 1.00 2.07 C ATOM 2409 C VAL A 153 3.784 3.075 1.379 1.00 1.71 C ATOM 2410 O VAL A 153 4.332 2.001 1.150 1.00 1.46 O ATOM 2411 CB VAL A 153 1.312 3.000 1.756 1.00 1.96 C ATOM 2412 CG1 VAL A 153 1.528 3.651 3.116 1.00 2.68 C ATOM 2413 CG2 VAL A 153 -0.062 3.361 1.213 1.00 2.36 C ATOM 0 H VAL A 153 2.608 1.856 -0.634 1.00 2.26 H new ATOM 0 HA VAL A 153 2.377 4.493 0.600 1.00 2.07 H new ATOM 0 HB VAL A 153 1.360 1.918 1.876 1.00 1.96 H new ATOM 0 HG11 VAL A 153 0.733 3.345 3.796 1.00 2.68 H new ATOM 0 HG12 VAL A 153 2.491 3.340 3.520 1.00 2.68 H new ATOM 0 HG13 VAL A 153 1.514 4.735 3.007 1.00 2.68 H new ATOM 0 HG21 VAL A 153 -0.827 3.057 1.928 1.00 2.36 H new ATOM 0 HG22 VAL A 153 -0.120 4.438 1.056 1.00 2.36 H new ATOM 0 HG23 VAL A 153 -0.226 2.847 0.266 1.00 2.36 H new ATOM 2423 N THR A 154 4.316 4.011 2.158 1.00 2.20 N ATOM 2424 CA THR A 154 5.591 3.831 2.839 1.00 2.13 C ATOM 2425 C THR A 154 5.348 3.960 4.332 1.00 2.87 C ATOM 2426 O THR A 154 4.813 4.974 4.790 1.00 3.63 O ATOM 2427 CB THR A 154 6.626 4.881 2.400 1.00 2.53 C ATOM 2428 OG1 THR A 154 6.836 4.802 0.986 1.00 2.59 O ATOM 2429 CG2 THR A 154 7.949 4.694 3.124 1.00 2.45 C ATOM 0 H THR A 154 3.876 4.914 2.334 1.00 2.20 H new ATOM 0 HA THR A 154 5.990 2.849 2.585 1.00 2.13 H new ATOM 0 HB THR A 154 6.233 5.864 2.658 1.00 2.53 H new ATOM 0 HG1 THR A 154 6.043 5.137 0.518 1.00 2.59 H new ATOM 0 HG21 THR A 154 8.657 5.452 2.790 1.00 2.45 H new ATOM 0 HG22 THR A 154 7.793 4.792 4.198 1.00 2.45 H new ATOM 0 HG23 THR A 154 8.347 3.704 2.904 1.00 2.45 H new ATOM 2437 N PHE A 155 5.762 2.949 5.093 1.00 3.05 N ATOM 2438 CA PHE A 155 5.486 2.951 6.540 1.00 4.10 C ATOM 2439 C PHE A 155 6.729 2.811 7.418 1.00 4.59 C ATOM 2440 O PHE A 155 7.478 1.849 7.309 1.00 4.50 O ATOM 2441 CB PHE A 155 4.502 1.831 6.874 1.00 4.47 C ATOM 2442 CG PHE A 155 3.501 2.209 7.925 1.00 5.26 C ATOM 2443 CD1 PHE A 155 3.908 2.484 9.219 1.00 6.22 C ATOM 2444 CD2 PHE A 155 2.152 2.291 7.617 1.00 5.12 C ATOM 2445 CE1 PHE A 155 2.988 2.836 10.187 1.00 7.05 C ATOM 2446 CE2 PHE A 155 1.228 2.642 8.582 1.00 5.96 C ATOM 2447 CZ PHE A 155 1.647 2.915 9.868 1.00 6.93 C ATOM 0 H PHE A 155 6.276 2.137 4.751 1.00 3.05 H new ATOM 0 HA PHE A 155 5.063 3.930 6.764 1.00 4.10 H new ATOM 0 HB2 PHE A 155 3.972 1.541 5.967 1.00 4.47 H new ATOM 0 HB3 PHE A 155 5.059 0.957 7.211 1.00 4.47 H new ATOM 0 HD1 PHE A 155 4.956 2.423 9.474 1.00 6.22 H new ATOM 0 HD2 PHE A 155 1.820 2.078 6.612 1.00 5.12 H new ATOM 0 HE1 PHE A 155 3.317 3.049 11.193 1.00 7.05 H new ATOM 0 HE2 PHE A 155 0.179 2.703 8.330 1.00 5.96 H new ATOM 0 HZ PHE A 155 0.927 3.190 10.624 1.00 6.93 H new ATOM 2457 N THR A 156 6.878 3.756 8.344 1.00 5.34 N ATOM 2458 CA THR A 156 8.013 3.797 9.266 1.00 5.91 C ATOM 2459 C THR A 156 8.479 2.411 9.717 1.00 6.07 C ATOM 2460 O THR A 156 9.566 1.969 9.339 1.00 5.70 O ATOM 2461 CB THR A 156 7.680 4.641 10.509 1.00 7.03 C ATOM 2462 OG1 THR A 156 6.523 4.112 11.170 1.00 7.51 O ATOM 2463 CG2 THR A 156 7.428 6.087 10.114 1.00 7.22 C ATOM 0 H THR A 156 6.213 4.518 8.477 1.00 5.34 H new ATOM 0 HA THR A 156 8.829 4.254 8.706 1.00 5.91 H new ATOM 0 HB THR A 156 8.530 4.603 11.190 1.00 7.03 H new ATOM 0 HG1 THR A 156 5.718 4.541 10.813 1.00 7.51 H new ATOM 0 HG21 THR A 156 7.194 6.672 11.004 1.00 7.22 H new ATOM 0 HG22 THR A 156 8.319 6.494 9.636 1.00 7.22 H new ATOM 0 HG23 THR A 156 6.590 6.133 9.418 1.00 7.22 H new ATOM 2471 N THR A 157 7.669 1.727 10.522 1.00 6.77 N ATOM 2472 CA THR A 157 8.038 0.406 11.014 1.00 7.26 C ATOM 2473 C THR A 157 7.332 -0.690 10.233 1.00 6.99 C ATOM 2474 O THR A 157 6.115 -0.653 10.051 1.00 6.85 O ATOM 2475 CB THR A 157 7.710 0.252 12.511 1.00 8.46 C ATOM 2476 OG1 THR A 157 6.364 0.669 12.761 1.00 8.78 O ATOM 2477 CG2 THR A 157 8.667 1.070 13.364 1.00 8.87 C ATOM 0 H THR A 157 6.761 2.063 10.844 1.00 6.77 H new ATOM 0 HA THR A 157 9.115 0.307 10.875 1.00 7.26 H new ATOM 0 HB THR A 157 7.821 -0.799 12.778 1.00 8.46 H new ATOM 0 HG1 THR A 157 5.936 0.040 13.379 1.00 8.78 H new ATOM 0 HG21 THR A 157 8.414 0.944 14.417 1.00 8.87 H new ATOM 0 HG22 THR A 157 9.688 0.730 13.193 1.00 8.87 H new ATOM 0 HG23 THR A 157 8.585 2.123 13.095 1.00 8.87 H new ATOM 2485 N ARG A 158 8.109 -1.666 9.771 1.00 7.05 N ATOM 2486 CA ARG A 158 7.561 -2.778 9.006 1.00 7.06 C ATOM 2487 C ARG A 158 6.461 -3.486 9.785 1.00 7.86 C ATOM 2488 O ARG A 158 5.444 -3.873 9.213 1.00 7.67 O ATOM 2489 CB ARG A 158 8.658 -3.772 8.613 1.00 7.38 C ATOM 2490 CG ARG A 158 9.841 -3.804 9.564 1.00 7.76 C ATOM 2491 CD ARG A 158 9.507 -4.513 10.866 1.00 8.64 C ATOM 2492 NE ARG A 158 9.489 -3.593 12.000 1.00 8.78 N ATOM 2493 CZ ARG A 158 9.610 -3.983 13.265 1.00 9.57 C ATOM 2494 NH1 ARG A 158 9.756 -5.270 13.556 1.00 10.24 N ATOM 2495 NH2 ARG A 158 9.588 -3.085 14.242 1.00 9.80 N ATOM 0 H ARG A 158 9.118 -1.708 9.914 1.00 7.05 H new ATOM 0 HA ARG A 158 7.128 -2.368 8.093 1.00 7.06 H new ATOM 0 HB2 ARG A 158 8.224 -4.770 8.557 1.00 7.38 H new ATOM 0 HB3 ARG A 158 9.016 -3.524 7.614 1.00 7.38 H new ATOM 0 HG2 ARG A 158 10.680 -4.307 9.082 1.00 7.76 H new ATOM 0 HG3 ARG A 158 10.161 -2.784 9.778 1.00 7.76 H new ATOM 0 HD2 ARG A 158 8.535 -4.997 10.776 1.00 8.64 H new ATOM 0 HD3 ARG A 158 10.239 -5.300 11.049 1.00 8.64 H new ATOM 0 HE ARG A 158 9.378 -2.597 11.811 1.00 8.78 H new ATOM 0 HH11 ARG A 158 9.776 -5.963 12.808 1.00 10.24 H new ATOM 0 HH12 ARG A 158 9.849 -5.566 14.528 1.00 10.24 H new ATOM 0 HH21 ARG A 158 9.478 -2.095 14.022 1.00 9.80 H new ATOM 0 HH22 ARG A 158 9.681 -3.385 15.212 1.00 9.80 H new ATOM 2509 N ALA A 159 6.659 -3.645 11.092 1.00 8.79 N ATOM 2510 CA ALA A 159 5.667 -4.304 11.929 1.00 9.64 C ATOM 2511 C ALA A 159 4.325 -3.605 11.795 1.00 9.32 C ATOM 2512 O ALA A 159 3.295 -4.246 11.582 1.00 9.45 O ATOM 2513 CB ALA A 159 6.119 -4.316 13.382 1.00 10.64 C ATOM 0 H ALA A 159 7.492 -3.328 11.589 1.00 8.79 H new ATOM 0 HA ALA A 159 5.559 -5.336 11.596 1.00 9.64 H new ATOM 0 HB1 ALA A 159 5.365 -4.812 13.993 1.00 10.64 H new ATOM 0 HB2 ALA A 159 7.064 -4.852 13.465 1.00 10.64 H new ATOM 0 HB3 ALA A 159 6.252 -3.292 13.730 1.00 10.64 H new ATOM 2519 N MET A 160 4.354 -2.280 11.882 1.00 8.95 N ATOM 2520 CA MET A 160 3.144 -1.484 11.750 1.00 8.73 C ATOM 2521 C MET A 160 2.547 -1.684 10.367 1.00 7.79 C ATOM 2522 O MET A 160 1.328 -1.738 10.204 1.00 7.78 O ATOM 2523 CB MET A 160 3.443 -0.004 11.994 1.00 8.63 C ATOM 2524 CG MET A 160 3.363 0.401 13.458 1.00 9.38 C ATOM 2525 SD MET A 160 4.400 -0.619 14.524 1.00 10.41 S ATOM 2526 CE MET A 160 4.066 0.116 16.124 1.00 11.44 C ATOM 0 H MET A 160 5.202 -1.737 12.043 1.00 8.95 H new ATOM 0 HA MET A 160 2.423 -1.812 12.499 1.00 8.73 H new ATOM 0 HB2 MET A 160 4.440 0.223 11.617 1.00 8.63 H new ATOM 0 HB3 MET A 160 2.740 0.599 11.420 1.00 8.63 H new ATOM 0 HG2 MET A 160 3.662 1.444 13.558 1.00 9.38 H new ATOM 0 HG3 MET A 160 2.328 0.333 13.793 1.00 9.38 H new ATOM 0 HE1 MET A 160 4.637 -0.407 16.891 1.00 11.44 H new ATOM 0 HE2 MET A 160 4.356 1.167 16.109 1.00 11.44 H new ATOM 0 HE3 MET A 160 3.002 0.037 16.346 1.00 11.44 H new ATOM 2536 N ALA A 161 3.420 -1.820 9.374 1.00 7.04 N ATOM 2537 CA ALA A 161 2.982 -2.027 8.007 1.00 6.16 C ATOM 2538 C ALA A 161 2.241 -3.349 7.894 1.00 6.64 C ATOM 2539 O ALA A 161 1.240 -3.456 7.183 1.00 6.28 O ATOM 2540 CB ALA A 161 4.172 -1.999 7.061 1.00 5.48 C ATOM 0 H ALA A 161 4.432 -1.790 9.495 1.00 7.04 H new ATOM 0 HA ALA A 161 2.303 -1.221 7.727 1.00 6.16 H new ATOM 0 HB1 ALA A 161 3.828 -2.156 6.039 1.00 5.48 H new ATOM 0 HB2 ALA A 161 4.670 -1.032 7.132 1.00 5.48 H new ATOM 0 HB3 ALA A 161 4.872 -2.789 7.333 1.00 5.48 H new ATOM 2546 N GLN A 162 2.727 -4.350 8.624 1.00 7.56 N ATOM 2547 CA GLN A 162 2.113 -5.665 8.612 1.00 8.22 C ATOM 2548 C GLN A 162 0.683 -5.569 9.120 1.00 8.56 C ATOM 2549 O GLN A 162 -0.205 -6.283 8.653 1.00 8.70 O ATOM 2550 CB GLN A 162 2.921 -6.641 9.470 1.00 9.22 C ATOM 2551 CG GLN A 162 4.323 -6.902 8.939 1.00 9.05 C ATOM 2552 CD GLN A 162 5.136 -7.795 9.855 1.00 10.06 C ATOM 2553 OE1 GLN A 162 4.951 -7.790 11.072 1.00 10.94 O ATOM 2554 NE2 GLN A 162 6.044 -8.571 9.273 1.00 9.99 N ATOM 0 H GLN A 162 3.544 -4.271 9.229 1.00 7.56 H new ATOM 0 HA GLN A 162 2.101 -6.040 7.589 1.00 8.22 H new ATOM 0 HB2 GLN A 162 2.993 -6.247 10.484 1.00 9.22 H new ATOM 0 HB3 GLN A 162 2.383 -7.587 9.533 1.00 9.22 H new ATOM 0 HG2 GLN A 162 4.254 -7.364 7.954 1.00 9.05 H new ATOM 0 HG3 GLN A 162 4.841 -5.952 8.810 1.00 9.05 H new ATOM 0 HE21 GLN A 162 6.165 -8.544 8.261 1.00 9.99 H new ATOM 0 HE22 GLN A 162 6.620 -9.194 9.839 1.00 9.99 H new ATOM 2563 N THR A 163 0.464 -4.663 10.068 1.00 8.76 N ATOM 2564 CA THR A 163 -0.860 -4.462 10.633 1.00 9.19 C ATOM 2565 C THR A 163 -1.835 -4.053 9.538 1.00 8.39 C ATOM 2566 O THR A 163 -2.968 -4.538 9.487 1.00 8.67 O ATOM 2567 CB THR A 163 -0.840 -3.393 11.748 1.00 9.62 C ATOM 2568 OG1 THR A 163 -0.125 -3.890 12.885 1.00 10.45 O ATOM 2569 CG2 THR A 163 -2.251 -3.004 12.165 1.00 10.08 C ATOM 0 H THR A 163 1.187 -4.059 10.459 1.00 8.76 H new ATOM 0 HA THR A 163 -1.184 -5.404 11.075 1.00 9.19 H new ATOM 0 HB THR A 163 -0.341 -2.507 11.356 1.00 9.62 H new ATOM 0 HG1 THR A 163 -0.114 -3.208 13.588 1.00 10.45 H new ATOM 0 HG21 THR A 163 -2.203 -2.250 12.951 1.00 10.08 H new ATOM 0 HG22 THR A 163 -2.786 -2.599 11.306 1.00 10.08 H new ATOM 0 HG23 THR A 163 -2.776 -3.884 12.537 1.00 10.08 H new ATOM 2577 N ALA A 164 -1.374 -3.179 8.645 1.00 7.40 N ATOM 2578 CA ALA A 164 -2.202 -2.709 7.542 1.00 6.57 C ATOM 2579 C ALA A 164 -2.695 -3.883 6.717 1.00 6.51 C ATOM 2580 O ALA A 164 -3.841 -3.906 6.266 1.00 6.33 O ATOM 2581 CB ALA A 164 -1.420 -1.750 6.660 1.00 5.56 C ATOM 0 H ALA A 164 -0.434 -2.784 8.666 1.00 7.40 H new ATOM 0 HA ALA A 164 -3.061 -2.182 7.958 1.00 6.57 H new ATOM 0 HB1 ALA A 164 -2.054 -1.409 5.842 1.00 5.56 H new ATOM 0 HB2 ALA A 164 -1.098 -0.893 7.251 1.00 5.56 H new ATOM 0 HB3 ALA A 164 -0.546 -2.259 6.254 1.00 5.56 H new ATOM 2587 N ILE A 165 -1.820 -4.866 6.539 1.00 6.81 N ATOM 2588 CA ILE A 165 -2.147 -6.048 5.767 1.00 7.06 C ATOM 2589 C ILE A 165 -3.370 -6.742 6.351 1.00 7.79 C ATOM 2590 O ILE A 165 -4.290 -7.115 5.629 1.00 7.66 O ATOM 2591 CB ILE A 165 -0.955 -7.028 5.727 1.00 7.65 C ATOM 2592 CG1 ILE A 165 0.214 -6.394 4.968 1.00 6.92 C ATOM 2593 CG2 ILE A 165 -1.360 -8.350 5.091 1.00 8.25 C ATOM 2594 CD1 ILE A 165 1.487 -7.213 5.006 1.00 7.54 C ATOM 0 H ILE A 165 -0.875 -4.863 6.923 1.00 6.81 H new ATOM 0 HA ILE A 165 -2.370 -5.733 4.748 1.00 7.06 H new ATOM 0 HB ILE A 165 -0.638 -7.236 6.749 1.00 7.65 H new ATOM 0 HG12 ILE A 165 -0.079 -6.244 3.929 1.00 6.92 H new ATOM 0 HG13 ILE A 165 0.415 -5.408 5.388 1.00 6.92 H new ATOM 0 HG21 ILE A 165 -0.503 -9.023 5.074 1.00 8.25 H new ATOM 0 HG22 ILE A 165 -2.165 -8.801 5.671 1.00 8.25 H new ATOM 0 HG23 ILE A 165 -1.702 -8.173 4.071 1.00 8.25 H new ATOM 0 HD11 ILE A 165 2.268 -6.698 4.447 1.00 7.54 H new ATOM 0 HD12 ILE A 165 1.806 -7.341 6.040 1.00 7.54 H new ATOM 0 HD13 ILE A 165 1.305 -8.190 4.559 1.00 7.54 H new ATOM 2606 N LYS A 166 -3.389 -6.880 7.671 1.00 8.61 N ATOM 2607 CA LYS A 166 -4.500 -7.534 8.346 1.00 9.40 C ATOM 2608 C LYS A 166 -5.765 -6.703 8.203 1.00 8.92 C ATOM 2609 O LYS A 166 -6.876 -7.234 8.166 1.00 9.17 O ATOM 2610 CB LYS A 166 -4.181 -7.737 9.828 1.00 10.41 C ATOM 2611 CG LYS A 166 -2.765 -8.217 10.092 1.00 11.21 C ATOM 2612 CD LYS A 166 -2.411 -9.428 9.246 1.00 11.56 C ATOM 2613 CE LYS A 166 -1.194 -10.148 9.798 1.00 12.63 C ATOM 2614 NZ LYS A 166 0.028 -9.299 9.736 1.00 13.37 N ATOM 0 H LYS A 166 -2.651 -6.549 8.292 1.00 8.61 H new ATOM 0 HA LYS A 166 -4.658 -8.508 7.882 1.00 9.40 H new ATOM 0 HB2 LYS A 166 -4.340 -6.797 10.356 1.00 10.41 H new ATOM 0 HB3 LYS A 166 -4.883 -8.459 10.245 1.00 10.41 H new ATOM 0 HG2 LYS A 166 -2.063 -7.410 9.882 1.00 11.21 H new ATOM 0 HG3 LYS A 166 -2.657 -8.467 11.147 1.00 11.21 H new ATOM 0 HD2 LYS A 166 -3.258 -10.113 9.214 1.00 11.56 H new ATOM 0 HD3 LYS A 166 -2.217 -9.114 8.220 1.00 11.56 H new ATOM 0 HE2 LYS A 166 -1.382 -10.439 10.831 1.00 12.63 H new ATOM 0 HE3 LYS A 166 -1.028 -11.066 9.234 1.00 12.63 H new ATOM 0 HZ1 LYS A 166 0.753 -9.775 9.162 1.00 13.37 H new ATOM 0 HZ2 LYS A 166 -0.208 -8.382 9.306 1.00 13.37 H new ATOM 0 HZ3 LYS A 166 0.394 -9.146 10.698 1.00 13.37 H new ATOM 2628 N ALA A 167 -5.576 -5.396 8.123 1.00 8.28 N ATOM 2629 CA ALA A 167 -6.680 -4.463 7.995 1.00 7.90 C ATOM 2630 C ALA A 167 -7.254 -4.457 6.581 1.00 6.96 C ATOM 2631 O ALA A 167 -8.428 -4.143 6.382 1.00 6.80 O ATOM 2632 CB ALA A 167 -6.220 -3.074 8.393 1.00 7.77 C ATOM 0 H ALA A 167 -4.657 -4.955 8.145 1.00 8.28 H new ATOM 0 HA ALA A 167 -7.479 -4.785 8.663 1.00 7.90 H new ATOM 0 HB1 ALA A 167 -7.050 -2.374 8.296 1.00 7.77 H new ATOM 0 HB2 ALA A 167 -5.875 -3.087 9.427 1.00 7.77 H new ATOM 0 HB3 ALA A 167 -5.404 -2.761 7.742 1.00 7.77 H new ATOM 2638 N MET A 168 -6.422 -4.804 5.601 1.00 6.41 N ATOM 2639 CA MET A 168 -6.852 -4.813 4.206 1.00 5.59 C ATOM 2640 C MET A 168 -6.836 -6.225 3.628 1.00 6.06 C ATOM 2641 O MET A 168 -7.886 -6.798 3.336 1.00 6.21 O ATOM 2642 CB MET A 168 -5.948 -3.906 3.372 1.00 4.61 C ATOM 2643 CG MET A 168 -5.802 -2.499 3.931 1.00 4.37 C ATOM 2644 SD MET A 168 -7.060 -1.360 3.313 1.00 4.25 S ATOM 2645 CE MET A 168 -8.505 -1.896 4.224 1.00 4.06 C ATOM 0 H MET A 168 -5.451 -5.081 5.747 1.00 6.41 H new ATOM 0 HA MET A 168 -7.876 -4.441 4.171 1.00 5.59 H new ATOM 0 HB2 MET A 168 -4.961 -4.362 3.299 1.00 4.61 H new ATOM 0 HB3 MET A 168 -6.346 -3.845 2.359 1.00 4.61 H new ATOM 0 HG2 MET A 168 -5.858 -2.539 5.019 1.00 4.37 H new ATOM 0 HG3 MET A 168 -4.815 -2.114 3.677 1.00 4.37 H new ATOM 0 HE1 MET A 168 -9.255 -1.105 4.214 1.00 4.06 H new ATOM 0 HE2 MET A 168 -8.916 -2.792 3.759 1.00 4.06 H new ATOM 0 HE3 MET A 168 -8.224 -2.117 5.254 1.00 4.06 H new ATOM 2655 N HIS A 169 -5.637 -6.771 3.462 1.00 6.40 N ATOM 2656 CA HIS A 169 -5.468 -8.114 2.916 1.00 7.11 C ATOM 2657 C HIS A 169 -6.387 -9.112 3.616 1.00 8.00 C ATOM 2658 O HIS A 169 -6.960 -9.996 2.978 1.00 8.44 O ATOM 2659 CB HIS A 169 -4.011 -8.553 3.063 1.00 7.58 C ATOM 2660 CG HIS A 169 -3.624 -9.662 2.135 1.00 8.20 C ATOM 2661 ND1 HIS A 169 -3.599 -10.988 2.516 1.00 9.21 N ATOM 2662 CD2 HIS A 169 -3.244 -9.639 0.835 1.00 8.09 C ATOM 2663 CE1 HIS A 169 -3.222 -11.731 1.491 1.00 9.66 C ATOM 2664 NE2 HIS A 169 -3.001 -10.937 0.460 1.00 9.05 N ATOM 0 H HIS A 169 -4.763 -6.302 3.699 1.00 6.40 H new ATOM 0 HA HIS A 169 -5.736 -8.090 1.860 1.00 7.11 H new ATOM 0 HB2 HIS A 169 -3.362 -7.696 2.883 1.00 7.58 H new ATOM 0 HB3 HIS A 169 -3.838 -8.873 4.091 1.00 7.58 H new ATOM 0 HD2 HIS A 169 -3.150 -8.763 0.210 1.00 8.09 H new ATOM 0 HE1 HIS A 169 -3.113 -12.805 1.496 1.00 9.66 H new ATOM 0 HE2 HIS A 169 -2.698 -11.239 -0.466 1.00 9.05 H new ATOM 2673 N GLN A 170 -6.523 -8.963 4.930 1.00 8.38 N ATOM 2674 CA GLN A 170 -7.378 -9.846 5.718 1.00 9.26 C ATOM 2675 C GLN A 170 -8.678 -9.142 6.103 1.00 8.98 C ATOM 2676 O GLN A 170 -9.029 -9.062 7.281 1.00 9.60 O ATOM 2677 CB GLN A 170 -6.640 -10.315 6.976 1.00 10.15 C ATOM 2678 CG GLN A 170 -5.882 -11.621 6.793 1.00 10.35 C ATOM 2679 CD GLN A 170 -5.010 -11.628 5.551 1.00 10.22 C ATOM 2680 OE1 GLN A 170 -3.850 -11.219 5.590 1.00 10.51 O ATOM 2681 NE2 GLN A 170 -5.567 -12.101 4.442 1.00 10.01 N ATOM 0 H GLN A 170 -6.052 -8.239 5.472 1.00 8.38 H new ATOM 0 HA GLN A 170 -7.625 -10.715 5.108 1.00 9.26 H new ATOM 0 HB2 GLN A 170 -5.939 -9.539 7.285 1.00 10.15 H new ATOM 0 HB3 GLN A 170 -7.360 -10.434 7.785 1.00 10.15 H new ATOM 0 HG2 GLN A 170 -5.259 -11.800 7.669 1.00 10.35 H new ATOM 0 HG3 GLN A 170 -6.594 -12.444 6.735 1.00 10.35 H new ATOM 0 HE21 GLN A 170 -6.533 -12.430 4.456 1.00 10.01 H new ATOM 0 HE22 GLN A 170 -5.029 -12.136 3.576 1.00 10.01 H new ATOM 2690 N ALA A 171 -9.387 -8.633 5.099 1.00 8.13 N ATOM 2691 CA ALA A 171 -10.647 -7.933 5.328 1.00 7.83 C ATOM 2692 C ALA A 171 -11.415 -7.738 4.024 1.00 7.35 C ATOM 2693 O ALA A 171 -12.575 -8.138 3.912 1.00 7.32 O ATOM 2694 CB ALA A 171 -10.388 -6.588 5.993 1.00 7.29 C ATOM 0 H ALA A 171 -9.110 -8.692 4.119 1.00 8.13 H new ATOM 0 HA ALA A 171 -11.258 -8.546 5.991 1.00 7.83 H new ATOM 0 HB1 ALA A 171 -11.336 -6.075 6.159 1.00 7.29 H new ATOM 0 HB2 ALA A 171 -9.889 -6.745 6.949 1.00 7.29 H new ATOM 0 HB3 ALA A 171 -9.754 -5.979 5.348 1.00 7.29 H new ATOM 2700 N GLN A 172 -10.758 -7.119 3.044 1.00 7.13 N ATOM 2701 CA GLN A 172 -11.365 -6.856 1.740 1.00 6.86 C ATOM 2702 C GLN A 172 -12.542 -5.900 1.862 1.00 7.25 C ATOM 2703 O GLN A 172 -13.219 -5.847 2.890 1.00 7.95 O ATOM 2704 CB GLN A 172 -11.821 -8.148 1.076 1.00 7.25 C ATOM 2705 CG GLN A 172 -10.813 -9.283 1.181 1.00 7.68 C ATOM 2706 CD GLN A 172 -11.315 -10.569 0.552 1.00 8.46 C ATOM 2707 OE1 GLN A 172 -12.517 -10.832 0.523 1.00 8.78 O ATOM 2708 NE2 GLN A 172 -10.392 -11.379 0.046 1.00 8.94 N ATOM 0 H GLN A 172 -9.797 -6.788 3.130 1.00 7.13 H new ATOM 0 HA GLN A 172 -10.600 -6.391 1.117 1.00 6.86 H new ATOM 0 HB2 GLN A 172 -12.760 -8.466 1.529 1.00 7.25 H new ATOM 0 HB3 GLN A 172 -12.025 -7.952 0.023 1.00 7.25 H new ATOM 0 HG2 GLN A 172 -9.883 -8.984 0.696 1.00 7.68 H new ATOM 0 HG3 GLN A 172 -10.582 -9.463 2.231 1.00 7.68 H new ATOM 0 HE21 GLN A 172 -9.406 -11.121 0.092 1.00 8.94 H new ATOM 0 HE22 GLN A 172 -10.669 -12.259 -0.389 1.00 8.94 H new ATOM 2717 N THR A 173 -12.778 -5.145 0.799 1.00 6.89 N ATOM 2718 CA THR A 173 -13.866 -4.180 0.768 1.00 7.27 C ATOM 2719 C THR A 173 -15.186 -4.839 0.367 1.00 8.12 C ATOM 2720 O THR A 173 -15.884 -4.365 -0.530 1.00 8.79 O ATOM 2721 CB THR A 173 -13.545 -3.027 -0.200 1.00 6.67 C ATOM 2722 OG1 THR A 173 -14.611 -2.070 -0.203 1.00 7.09 O ATOM 2723 CG2 THR A 173 -13.313 -3.543 -1.614 1.00 6.49 C ATOM 0 H THR A 173 -12.226 -5.183 -0.058 1.00 6.89 H new ATOM 0 HA THR A 173 -13.974 -3.780 1.776 1.00 7.27 H new ATOM 0 HB THR A 173 -12.629 -2.547 0.145 1.00 6.67 H new ATOM 0 HG1 THR A 173 -15.457 -2.523 -0.402 1.00 7.09 H new ATOM 0 HG21 THR A 173 -13.089 -2.706 -2.275 1.00 6.49 H new ATOM 0 HG22 THR A 173 -12.475 -4.240 -1.614 1.00 6.49 H new ATOM 0 HG23 THR A 173 -14.209 -4.053 -1.967 1.00 6.49 H new ATOM 2731 N MET A 174 -15.523 -5.934 1.043 1.00 8.29 N ATOM 2732 CA MET A 174 -16.761 -6.654 0.763 1.00 9.27 C ATOM 2733 C MET A 174 -17.953 -5.948 1.401 1.00 9.76 C ATOM 2734 O MET A 174 -18.632 -6.506 2.264 1.00 10.07 O ATOM 2735 CB MET A 174 -16.670 -8.091 1.278 1.00 9.97 C ATOM 2736 CG MET A 174 -15.464 -8.847 0.751 1.00 9.62 C ATOM 2737 SD MET A 174 -15.553 -10.618 1.079 1.00 10.64 S ATOM 2738 CE MET A 174 -15.631 -10.634 2.868 1.00 11.58 C ATOM 0 H MET A 174 -14.957 -6.341 1.787 1.00 8.29 H new ATOM 0 HA MET A 174 -16.905 -6.673 -0.317 1.00 9.27 H new ATOM 0 HB2 MET A 174 -16.632 -8.077 2.367 1.00 9.97 H new ATOM 0 HB3 MET A 174 -17.576 -8.627 0.997 1.00 9.97 H new ATOM 0 HG2 MET A 174 -15.380 -8.685 -0.324 1.00 9.62 H new ATOM 0 HG3 MET A 174 -14.560 -8.443 1.206 1.00 9.62 H new ATOM 0 HE1 MET A 174 -15.493 -11.653 3.229 1.00 11.58 H new ATOM 0 HE2 MET A 174 -14.845 -9.996 3.272 1.00 11.58 H new ATOM 0 HE3 MET A 174 -16.603 -10.262 3.193 1.00 11.58 H new ATOM 2748 N GLU A 175 -18.206 -4.717 0.963 1.00 9.99 N ATOM 2749 CA GLU A 175 -19.311 -3.924 1.490 1.00 10.53 C ATOM 2750 C GLU A 175 -19.481 -2.633 0.697 1.00 10.39 C ATOM 2751 O GLU A 175 -20.599 -2.244 0.356 1.00 11.07 O ATOM 2752 CB GLU A 175 -19.073 -3.605 2.966 1.00 10.50 C ATOM 2753 CG GLU A 175 -17.670 -3.100 3.260 1.00 9.82 C ATOM 2754 CD GLU A 175 -17.448 -2.823 4.734 1.00 10.17 C ATOM 2755 OE1 GLU A 175 -17.050 -3.760 5.460 1.00 10.48 O ATOM 2756 OE2 GLU A 175 -17.671 -1.672 5.162 1.00 10.29 O ATOM 0 H GLU A 175 -17.658 -4.247 0.242 1.00 9.99 H new ATOM 0 HA GLU A 175 -20.226 -4.508 1.394 1.00 10.53 H new ATOM 0 HB2 GLU A 175 -19.795 -2.855 3.288 1.00 10.50 H new ATOM 0 HB3 GLU A 175 -19.259 -4.501 3.558 1.00 10.50 H new ATOM 0 HG2 GLU A 175 -16.943 -3.837 2.919 1.00 9.82 H new ATOM 0 HG3 GLU A 175 -17.489 -2.188 2.691 1.00 9.82 H new ATOM 2763 N GLY A 176 -18.364 -1.971 0.407 1.00 9.65 N ATOM 2764 CA GLY A 176 -18.411 -0.731 -0.346 1.00 9.66 C ATOM 2765 C GLY A 176 -18.359 -0.966 -1.841 1.00 8.99 C ATOM 2766 O GLY A 176 -19.067 -0.310 -2.605 1.00 9.20 O ATOM 0 H GLY A 176 -17.428 -2.271 0.680 1.00 9.65 H new ATOM 0 HA2 GLY A 176 -19.324 -0.191 -0.097 1.00 9.66 H new ATOM 0 HA3 GLY A 176 -17.575 -0.097 -0.051 1.00 9.66 H new ATOM 2770 N CYS A 177 -17.516 -1.904 -2.257 1.00 8.35 N ATOM 2771 CA CYS A 177 -17.369 -2.234 -3.669 1.00 7.87 C ATOM 2772 C CYS A 177 -17.550 -3.731 -3.893 1.00 7.48 C ATOM 2773 O CYS A 177 -17.681 -4.189 -5.029 1.00 7.40 O ATOM 2774 CB CYS A 177 -15.999 -1.789 -4.182 1.00 7.33 C ATOM 2775 SG CYS A 177 -15.787 0.005 -4.257 1.00 7.86 S ATOM 0 H CYS A 177 -16.922 -2.451 -1.634 1.00 8.35 H new ATOM 0 HA CYS A 177 -18.142 -1.703 -4.225 1.00 7.87 H new ATOM 0 HB2 CYS A 177 -15.227 -2.209 -3.537 1.00 7.33 H new ATOM 0 HB3 CYS A 177 -15.843 -2.205 -5.177 1.00 7.33 H new ATOM 0 HG CYS A 177 -16.821 0.587 -3.726 1.00 7.86 H new ATOM 2781 N SER A 178 -17.554 -4.485 -2.797 1.00 7.49 N ATOM 2782 CA SER A 178 -17.717 -5.934 -2.859 1.00 7.32 C ATOM 2783 C SER A 178 -16.638 -6.571 -3.730 1.00 6.67 C ATOM 2784 O SER A 178 -16.928 -7.115 -4.795 1.00 6.52 O ATOM 2785 CB SER A 178 -19.105 -6.290 -3.397 1.00 7.64 C ATOM 2786 OG SER A 178 -20.127 -5.769 -2.565 1.00 7.57 O ATOM 0 H SER A 178 -17.446 -4.115 -1.853 1.00 7.49 H new ATOM 0 HA SER A 178 -17.616 -6.328 -1.848 1.00 7.32 H new ATOM 0 HB2 SER A 178 -19.218 -5.896 -4.407 1.00 7.64 H new ATOM 0 HB3 SER A 178 -19.205 -7.373 -3.465 1.00 7.64 H new ATOM 0 HG SER A 178 -21.003 -6.010 -2.933 1.00 7.57 H new ATOM 2792 N SER A 179 -15.391 -6.501 -3.270 1.00 6.58 N ATOM 2793 CA SER A 179 -14.275 -7.075 -4.004 1.00 6.32 C ATOM 2794 C SER A 179 -13.105 -7.318 -3.067 1.00 6.17 C ATOM 2795 O SER A 179 -12.876 -6.536 -2.144 1.00 6.12 O ATOM 2796 CB SER A 179 -13.823 -6.145 -5.134 1.00 6.36 C ATOM 2797 OG SER A 179 -14.924 -5.697 -5.905 1.00 6.70 O ATOM 0 H SER A 179 -15.132 -6.052 -2.392 1.00 6.58 H new ATOM 0 HA SER A 179 -14.609 -8.019 -4.435 1.00 6.32 H new ATOM 0 HB2 SER A 179 -13.298 -5.287 -4.714 1.00 6.36 H new ATOM 0 HB3 SER A 179 -13.115 -6.668 -5.777 1.00 6.36 H new ATOM 0 HG SER A 179 -15.638 -6.367 -5.876 1.00 6.70 H new ATOM 2803 N PRO A 180 -12.348 -8.401 -3.281 1.00 6.43 N ATOM 2804 CA PRO A 180 -11.194 -8.704 -2.450 1.00 6.66 C ATOM 2805 C PRO A 180 -10.181 -7.575 -2.501 1.00 5.98 C ATOM 2806 O PRO A 180 -10.078 -6.875 -3.502 1.00 5.75 O ATOM 2807 CB PRO A 180 -10.610 -9.983 -3.067 1.00 7.45 C ATOM 2808 CG PRO A 180 -11.201 -10.063 -4.433 1.00 7.34 C ATOM 2809 CD PRO A 180 -12.545 -9.404 -4.339 1.00 6.88 C ATOM 0 HA PRO A 180 -11.459 -8.828 -1.400 1.00 6.66 H new ATOM 0 HB2 PRO A 180 -9.522 -9.938 -3.111 1.00 7.45 H new ATOM 0 HB3 PRO A 180 -10.869 -10.860 -2.474 1.00 7.45 H new ATOM 0 HG2 PRO A 180 -10.568 -9.557 -5.162 1.00 7.34 H new ATOM 0 HG3 PRO A 180 -11.296 -11.099 -4.757 1.00 7.34 H new ATOM 0 HD2 PRO A 180 -12.836 -8.943 -5.283 1.00 6.88 H new ATOM 0 HD3 PRO A 180 -13.327 -10.117 -4.079 1.00 6.88 H new ATOM 2817 N MET A 181 -9.458 -7.386 -1.412 1.00 5.81 N ATOM 2818 CA MET A 181 -8.435 -6.350 -1.351 1.00 5.16 C ATOM 2819 C MET A 181 -7.091 -6.982 -1.020 1.00 5.72 C ATOM 2820 O MET A 181 -6.992 -7.818 -0.120 1.00 6.38 O ATOM 2821 CB MET A 181 -8.791 -5.289 -0.309 1.00 4.42 C ATOM 2822 CG MET A 181 -8.321 -3.892 -0.686 1.00 3.57 C ATOM 2823 SD MET A 181 -8.460 -2.718 0.674 1.00 3.07 S ATOM 2824 CE MET A 181 -10.198 -2.865 1.082 1.00 3.26 C ATOM 0 H MET A 181 -9.558 -7.934 -0.557 1.00 5.81 H new ATOM 0 HA MET A 181 -8.377 -5.860 -2.323 1.00 5.16 H new ATOM 0 HB2 MET A 181 -9.872 -5.276 -0.169 1.00 4.42 H new ATOM 0 HB3 MET A 181 -8.349 -5.567 0.648 1.00 4.42 H new ATOM 0 HG2 MET A 181 -7.283 -3.939 -1.015 1.00 3.57 H new ATOM 0 HG3 MET A 181 -8.907 -3.532 -1.532 1.00 3.57 H new ATOM 0 HE1 MET A 181 -10.596 -1.883 1.340 1.00 3.26 H new ATOM 0 HE2 MET A 181 -10.741 -3.263 0.224 1.00 3.26 H new ATOM 0 HE3 MET A 181 -10.317 -3.539 1.931 1.00 3.26 H new ATOM 2834 N VAL A 182 -6.059 -6.580 -1.750 1.00 5.55 N ATOM 2835 CA VAL A 182 -4.733 -7.143 -1.555 1.00 6.08 C ATOM 2836 C VAL A 182 -3.681 -6.075 -1.270 1.00 5.39 C ATOM 2837 O VAL A 182 -3.507 -5.126 -2.040 1.00 4.91 O ATOM 2838 CB VAL A 182 -4.307 -7.965 -2.790 1.00 6.97 C ATOM 2839 CG1 VAL A 182 -4.692 -7.240 -4.069 1.00 6.80 C ATOM 2840 CG2 VAL A 182 -2.815 -8.263 -2.762 1.00 7.45 C ATOM 0 H VAL A 182 -6.116 -5.869 -2.479 1.00 5.55 H new ATOM 0 HA VAL A 182 -4.795 -7.791 -0.681 1.00 6.08 H new ATOM 0 HB VAL A 182 -4.835 -8.918 -2.763 1.00 6.97 H new ATOM 0 HG11 VAL A 182 -4.384 -7.833 -4.930 1.00 6.80 H new ATOM 0 HG12 VAL A 182 -5.772 -7.096 -4.095 1.00 6.80 H new ATOM 0 HG13 VAL A 182 -4.196 -6.270 -4.101 1.00 6.80 H new ATOM 0 HG21 VAL A 182 -2.543 -8.843 -3.644 1.00 7.45 H new ATOM 0 HG22 VAL A 182 -2.257 -7.327 -2.757 1.00 7.45 H new ATOM 0 HG23 VAL A 182 -2.575 -8.833 -1.865 1.00 7.45 H new ATOM 2850 N VAL A 183 -2.984 -6.256 -0.150 1.00 5.50 N ATOM 2851 CA VAL A 183 -1.923 -5.349 0.271 1.00 4.93 C ATOM 2852 C VAL A 183 -0.757 -6.155 0.837 1.00 5.68 C ATOM 2853 O VAL A 183 -0.934 -6.931 1.776 1.00 6.34 O ATOM 2854 CB VAL A 183 -2.420 -4.359 1.344 1.00 4.22 C ATOM 2855 CG1 VAL A 183 -1.318 -3.385 1.731 1.00 3.70 C ATOM 2856 CG2 VAL A 183 -3.652 -3.613 0.854 1.00 3.54 C ATOM 0 H VAL A 183 -3.140 -7.035 0.489 1.00 5.50 H new ATOM 0 HA VAL A 183 -1.602 -4.779 -0.601 1.00 4.93 H new ATOM 0 HB VAL A 183 -2.696 -4.928 2.232 1.00 4.22 H new ATOM 0 HG11 VAL A 183 -1.691 -2.696 2.489 1.00 3.70 H new ATOM 0 HG12 VAL A 183 -0.467 -3.938 2.130 1.00 3.70 H new ATOM 0 HG13 VAL A 183 -1.005 -2.822 0.852 1.00 3.70 H new ATOM 0 HG21 VAL A 183 -3.988 -2.919 1.625 1.00 3.54 H new ATOM 0 HG22 VAL A 183 -3.405 -3.058 -0.051 1.00 3.54 H new ATOM 0 HG23 VAL A 183 -4.447 -4.326 0.637 1.00 3.54 H new ATOM 2866 N LYS A 184 0.433 -5.975 0.269 1.00 5.70 N ATOM 2867 CA LYS A 184 1.603 -6.718 0.728 1.00 6.41 C ATOM 2868 C LYS A 184 2.889 -5.906 0.616 1.00 5.98 C ATOM 2869 O LYS A 184 3.056 -5.099 -0.299 1.00 5.49 O ATOM 2870 CB LYS A 184 1.744 -8.018 -0.065 1.00 7.46 C ATOM 2871 CG LYS A 184 1.914 -7.801 -1.560 1.00 7.98 C ATOM 2872 CD LYS A 184 2.136 -9.114 -2.293 1.00 8.81 C ATOM 2873 CE LYS A 184 2.359 -8.891 -3.779 1.00 8.99 C ATOM 2874 NZ LYS A 184 2.638 -10.166 -4.496 1.00 9.80 N ATOM 0 H LYS A 184 0.612 -5.329 -0.500 1.00 5.70 H new ATOM 0 HA LYS A 184 1.447 -6.941 1.784 1.00 6.41 H new ATOM 0 HB2 LYS A 184 2.602 -8.574 0.313 1.00 7.46 H new ATOM 0 HB3 LYS A 184 0.863 -8.636 0.106 1.00 7.46 H new ATOM 0 HG2 LYS A 184 1.029 -7.305 -1.959 1.00 7.98 H new ATOM 0 HG3 LYS A 184 2.759 -7.136 -1.738 1.00 7.98 H new ATOM 0 HD2 LYS A 184 2.998 -9.628 -1.868 1.00 8.81 H new ATOM 0 HD3 LYS A 184 1.273 -9.764 -2.147 1.00 8.81 H new ATOM 0 HE2 LYS A 184 1.478 -8.417 -4.211 1.00 8.99 H new ATOM 0 HE3 LYS A 184 3.193 -8.204 -3.922 1.00 8.99 H new ATOM 0 HZ1 LYS A 184 2.784 -9.971 -5.507 1.00 9.80 H new ATOM 0 HZ2 LYS A 184 3.493 -10.606 -4.101 1.00 9.80 H new ATOM 0 HZ3 LYS A 184 1.831 -10.812 -4.381 1.00 9.80 H new ATOM 2888 N PHE A 185 3.792 -6.134 1.566 1.00 6.30 N ATOM 2889 CA PHE A 185 5.085 -5.461 1.595 1.00 5.99 C ATOM 2890 C PHE A 185 5.848 -5.718 0.296 1.00 6.35 C ATOM 2891 O PHE A 185 5.857 -6.840 -0.214 1.00 7.24 O ATOM 2892 CB PHE A 185 5.902 -5.975 2.783 1.00 6.57 C ATOM 2893 CG PHE A 185 6.669 -4.908 3.509 1.00 6.08 C ATOM 2894 CD1 PHE A 185 7.830 -4.376 2.969 1.00 5.74 C ATOM 2895 CD2 PHE A 185 6.232 -4.444 4.738 1.00 6.14 C ATOM 2896 CE1 PHE A 185 8.539 -3.400 3.644 1.00 5.34 C ATOM 2897 CE2 PHE A 185 6.936 -3.469 5.418 1.00 5.81 C ATOM 2898 CZ PHE A 185 8.091 -2.946 4.870 1.00 5.34 C ATOM 0 H PHE A 185 3.648 -6.789 2.335 1.00 6.30 H new ATOM 0 HA PHE A 185 4.923 -4.388 1.699 1.00 5.99 H new ATOM 0 HB2 PHE A 185 5.230 -6.466 3.487 1.00 6.57 H new ATOM 0 HB3 PHE A 185 6.601 -6.732 2.428 1.00 6.57 H new ATOM 0 HD1 PHE A 185 8.184 -4.728 2.011 1.00 5.74 H new ATOM 0 HD2 PHE A 185 5.329 -4.849 5.171 1.00 6.14 H new ATOM 0 HE1 PHE A 185 9.442 -2.993 3.214 1.00 5.34 H new ATOM 0 HE2 PHE A 185 6.584 -3.116 6.376 1.00 5.81 H new ATOM 0 HZ PHE A 185 8.643 -2.183 5.399 1.00 5.34 H new ATOM 2908 N ALA A 186 6.488 -4.680 -0.235 1.00 5.78 N ATOM 2909 CA ALA A 186 7.249 -4.807 -1.475 1.00 6.30 C ATOM 2910 C ALA A 186 8.436 -5.746 -1.298 1.00 6.85 C ATOM 2911 O ALA A 186 8.861 -6.020 -0.176 1.00 6.41 O ATOM 2912 CB ALA A 186 7.725 -3.444 -1.950 1.00 5.74 C ATOM 0 H ALA A 186 6.495 -3.745 0.172 1.00 5.78 H new ATOM 0 HA ALA A 186 6.588 -5.232 -2.230 1.00 6.30 H new ATOM 0 HB1 ALA A 186 8.290 -3.558 -2.875 1.00 5.74 H new ATOM 0 HB2 ALA A 186 6.864 -2.800 -2.128 1.00 5.74 H new ATOM 0 HB3 ALA A 186 8.363 -2.995 -1.188 1.00 5.74 H new ATOM 2918 N ASP A 187 8.968 -6.230 -2.414 1.00 7.87 N ATOM 2919 CA ASP A 187 10.109 -7.140 -2.387 1.00 8.52 C ATOM 2920 C ASP A 187 11.108 -6.789 -3.486 1.00 8.61 C ATOM 2921 O ASP A 187 12.042 -6.009 -3.207 1.00 8.64 O ATOM 2922 CB ASP A 187 9.636 -8.586 -2.552 1.00 9.14 C ATOM 2923 CG ASP A 187 10.779 -9.579 -2.493 1.00 9.76 C ATOM 2924 OD1 ASP A 187 11.365 -9.874 -3.557 1.00 10.14 O ATOM 2925 OD2 ASP A 187 11.089 -10.062 -1.384 1.00 10.02 O ATOM 2926 OXT ASP A 187 10.949 -7.297 -4.616 1.00 8.89 O ATOM 0 H ASP A 187 8.628 -6.008 -3.350 1.00 7.87 H new ATOM 0 HA ASP A 187 10.606 -7.036 -1.423 1.00 8.52 H new ATOM 0 HB2 ASP A 187 8.914 -8.821 -1.770 1.00 9.14 H new ATOM 0 HB3 ASP A 187 9.118 -8.689 -3.505 1.00 9.14 H new TER 2931 ASP A 187