USER MOD reduce.3.24.130724 H: found=0, std=0, add=1514, rem=0, adj=75 USER MOD reduce.3.24.130724 removed 1502 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 84 ASN : amide:sc= 0.577 K(o=1.8,f=-7.3!) USER MOD Set 1.2: B 92 LYS NZ :NH3+ 178:sc= 1.25! (180deg=0.531!) USER MOD Set 2.1: B 47 MET CE :methyl -128:sc= -0.0601 (180deg=-1.11) USER MOD Set 2.2: B 83 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: B 32 LYS NZ :NH3+ 151:sc= 1.3 (180deg=-0.811) USER MOD Set 3.2: B 63 SER OG : rot -48:sc= 1.55 USER MOD Set 4.1: B 62 ASN : amide:sc= 0.761 K(o=0.32,f=-1.3) USER MOD Set 4.2: B 65 GLN : amide:sc= -0.446 K(o=0.32,f=-3.1) USER MOD Set 5.1: B 58 SER OG : rot 76:sc= 0.62 USER MOD Set 5.2: B 61 LYS NZ :NH3+ -147:sc= 0.657 (180deg=0) USER MOD Set 6.1: B 25 SER OG : rot 112:sc= 0.68 USER MOD Set 6.2: B 28 THR OG1 : rot 129:sc= 1.81 USER MOD Set 7.1: B 18 LYS NZ :NH3+ 170:sc= 1.59 (180deg=0.989) USER MOD Set 7.2: B 19 TYR OH : rot 30:sc= 0.356 USER MOD Set 8.1: B 15 THR OG1 : rot -88:sc= 1.27 USER MOD Set 8.2: B 72 TYR OH : rot 180:sc= 0 USER MOD Set 9.1: B 7 LYS NZ :NH3+ 161:sc= 0.629 (180deg=-1.04) USER MOD Set 9.2: B 10 THR OG1 : rot -61:sc= 1.61 USER MOD Set10.1: A 80 CYS SG : rot 180:sc= -0.029 USER MOD Set10.2: A 84 ASN : amide:sc= 0.204 K(o=0.17,f=-1.7) USER MOD Set11.1: A 73 SER OG : rot -86:sc= 0.569 USER MOD Set11.2: A 77 THR OG1 : rot 86:sc= 0.826 USER MOD Set11.3: B 73 SER OG : rot 70:sc= -0.214 USER MOD Set11.4: B 77 THR OG1 : rot 89:sc= 0.754 USER MOD Set12.1: A 58 SER OG : rot 180:sc= 0.607 USER MOD Set12.2: A 61 LYS NZ :NH3+ 179:sc= 1.23 (180deg=0.466) USER MOD Set13.1: A 32 LYS NZ :NH3+ 165:sc= 1.51 (180deg=1.22) USER MOD Set13.2: A 35 LYS NZ :NH3+ -149:sc= 1.26 (180deg=0.642!) USER MOD Set13.3: A 63 SER OG : rot 175:sc= 0.636 USER MOD Set14.1: A 15 THR OG1 : rot -77:sc= 0.847 USER MOD Set14.2: A 72 TYR OH : rot 144:sc= 0.126 USER MOD Set15.1: A 1 MET CE :methyl 154:sc= -0.0959 (180deg=0) USER MOD Set15.2: B 43 CYS SG : rot 120:sc=-0.00712 USER MOD Single : A 1 MET N :NH3+ -169:sc= 2.34 (180deg=1.89) USER MOD Single : A 3 THR OG1 : rot 175:sc= 1.19 USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= 1.02 (180deg=-0.448!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 1.18 (180deg=1.06) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 75:sc= 1.08 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 2.47 (180deg=2.37) USER MOD Single : A 28 THR OG1 : rot 177:sc= 1.21 USER MOD Single : A 30 SER OG : rot -84:sc= 1.65 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.837! (180deg=0.788!) USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -1.39! (180deg=-1.49) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -127:sc= -0.0116 (180deg=-0.268) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 1.34 (180deg=1.05!) USER MOD Single : A 50 SER OG : rot -44:sc= 0.0478 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 172:sc= -1.12 (180deg=-1.49) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 0.64 (180deg=0.544) USER MOD Single : A 62 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.53) USER MOD Single : A 65 GLN : amide:sc= -0.406 K(o=-0.41,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= 2.27 (180deg=0.618) USER MOD Single : A 78 MET CE :methyl -172:sc= 0 (180deg=-0.108) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.649 K(o=0.65,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 153:sc= -0.204 (180deg=-1.73!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -139:sc= 0.219 (180deg=-0.075) USER MOD Single : B 3 THR OG1 : rot 168:sc= 1.25 USER MOD Single : B 11 THR OG1 : rot 88:sc= 1.3 USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 THR OG1 : rot 78:sc= 0.357 USER MOD Single : B 17 HIS : no HE2:sc= -0.683 K(o=-0.68,f=-2.3!) USER MOD Single : B 20 SER OG : rot -77:sc= 0.574 USER MOD Single : B 26 LYS NZ :NH3+ -170:sc= 0.644 (180deg=0.324) USER MOD Single : B 30 SER OG : rot 120:sc= 1.23 USER MOD Single : B 35 LYS NZ :NH3+ 135:sc= 0.747! (180deg=-0.45!) USER MOD Single : B 39 LYS NZ :NH3+ 178:sc= 0.9 (180deg=0.849) USER MOD Single : B 40 LYS NZ :NH3+ -121:sc= -0.944! (180deg=-3.97!) USER MOD Single : B 48 LYS NZ :NH3+ -147:sc= 1.31 (180deg=0.0896) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot -36:sc= 0.879 USER MOD Single : B 56 MET CE :methyl -130:sc= -0.317 (180deg=-2.89!) USER MOD Single : B 57 LYS NZ :NH3+ 132:sc= 1.28 (180deg=0.561) USER MOD Single : B 70 LYS NZ :NH3+ 152:sc= 0.567 (180deg=0.207) USER MOD Single : B 78 MET CE :methyl 164:sc= -0.0841 (180deg=-0.78) USER MOD Single : B 80 CYS SG : rot -27:sc= 0.0007 USER MOD Single : B 81 MET CE :methyl -149:sc= -0.387 (180deg=-1.7!) USER MOD Single : B 91 ASN : amide:sc=-0.000923 X(o=-0.00092,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.271 5.174 18.983 1.00 5.67 N ATOM 2 CA MET A 1 13.976 5.738 20.313 1.00 5.26 C ATOM 3 C MET A 1 12.876 4.948 21.001 1.00 3.98 C ATOM 4 O MET A 1 13.199 4.062 21.777 1.00 4.53 O ATOM 5 CB MET A 1 13.673 7.244 20.227 1.00 6.17 C ATOM 6 CG MET A 1 13.459 7.892 21.599 1.00 7.26 C ATOM 7 SD MET A 1 14.849 7.674 22.747 1.00 8.25 S ATOM 8 CE MET A 1 15.680 9.276 22.579 1.00 10.01 C ATOM 0 H1 MET A 1 15.141 5.603 18.609 1.00 5.67 H new ATOM 0 H2 MET A 1 14.399 4.145 19.063 1.00 5.67 H new ATOM 0 H3 MET A 1 13.481 5.375 18.338 1.00 5.67 H new ATOM 0 HA MET A 1 14.865 5.644 20.936 1.00 5.26 H new ATOM 0 HB2 MET A 1 14.496 7.746 19.719 1.00 6.17 H new ATOM 0 HB3 MET A 1 12.782 7.395 19.617 1.00 6.17 H new ATOM 0 HG2 MET A 1 13.279 8.958 21.461 1.00 7.26 H new ATOM 0 HG3 MET A 1 12.560 7.473 22.050 1.00 7.26 H new ATOM 0 HE1 MET A 1 16.235 9.495 23.491 1.00 10.01 H new ATOM 0 HE2 MET A 1 16.368 9.242 21.735 1.00 10.01 H new ATOM 0 HE3 MET A 1 14.937 10.055 22.410 1.00 10.01 H new ATOM 17 N GLU A 2 11.626 5.280 20.688 1.00 3.00 N ATOM 18 CA GLU A 2 10.337 4.950 21.287 1.00 2.05 C ATOM 19 C GLU A 2 9.428 6.157 21.007 1.00 1.85 C ATOM 20 O GLU A 2 9.390 7.123 21.771 1.00 2.68 O ATOM 21 CB GLU A 2 10.387 4.553 22.776 1.00 2.64 C ATOM 22 CG GLU A 2 8.998 4.285 23.388 1.00 3.30 C ATOM 23 CD GLU A 2 8.144 3.447 22.442 1.00 3.71 C ATOM 24 OE1 GLU A 2 8.458 2.255 22.231 1.00 4.00 O ATOM 25 OE2 GLU A 2 7.301 4.019 21.724 1.00 4.56 O ATOM 0 H GLU A 2 11.475 5.883 19.879 1.00 3.00 H new ATOM 0 HA GLU A 2 9.945 4.038 20.836 1.00 2.05 H new ATOM 0 HB2 GLU A 2 11.002 3.660 22.885 1.00 2.64 H new ATOM 0 HB3 GLU A 2 10.876 5.347 23.339 1.00 2.64 H new ATOM 0 HG2 GLU A 2 9.109 3.767 24.341 1.00 3.30 H new ATOM 0 HG3 GLU A 2 8.498 5.231 23.596 1.00 3.30 H new ATOM 32 N THR A 3 8.792 6.135 19.830 1.00 1.09 N ATOM 33 CA THR A 3 7.872 7.178 19.343 1.00 0.89 C ATOM 34 C THR A 3 6.694 6.546 18.589 1.00 0.87 C ATOM 35 O THR A 3 6.839 5.439 18.067 1.00 1.07 O ATOM 36 CB THR A 3 8.571 8.226 18.456 1.00 1.00 C ATOM 37 OG1 THR A 3 8.474 7.851 17.104 1.00 1.20 O ATOM 38 CG2 THR A 3 10.036 8.530 18.771 1.00 1.38 C ATOM 0 H THR A 3 8.905 5.368 19.167 1.00 1.09 H new ATOM 0 HA THR A 3 7.501 7.703 20.223 1.00 0.89 H new ATOM 0 HB THR A 3 8.034 9.148 18.677 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.854 8.557 16.541 1.00 1.20 H new ATOM 0 HG21 THR A 3 10.409 9.282 18.076 1.00 1.38 H new ATOM 0 HG22 THR A 3 10.119 8.906 19.791 1.00 1.38 H new ATOM 0 HG23 THR A 3 10.626 7.619 18.671 1.00 1.38 H new ATOM 46 N PRO A 4 5.542 7.238 18.441 1.00 0.85 N ATOM 47 CA PRO A 4 4.400 6.700 17.712 1.00 1.00 C ATOM 48 C PRO A 4 4.651 6.581 16.202 1.00 0.95 C ATOM 49 O PRO A 4 4.162 5.632 15.587 1.00 1.04 O ATOM 50 CB PRO A 4 3.234 7.650 18.020 1.00 1.19 C ATOM 51 CG PRO A 4 3.925 8.980 18.320 1.00 1.12 C ATOM 52 CD PRO A 4 5.217 8.544 19.003 1.00 0.92 C ATOM 0 HA PRO A 4 4.190 5.679 18.029 1.00 1.00 H new ATOM 0 HB2 PRO A 4 2.551 7.734 17.174 1.00 1.19 H new ATOM 0 HB3 PRO A 4 2.647 7.302 18.870 1.00 1.19 H new ATOM 0 HG2 PRO A 4 4.120 9.548 17.411 1.00 1.12 H new ATOM 0 HG3 PRO A 4 3.319 9.613 18.968 1.00 1.12 H new ATOM 0 HD2 PRO A 4 6.018 9.260 18.818 1.00 0.92 H new ATOM 0 HD3 PRO A 4 5.087 8.483 20.084 1.00 0.92 H new ATOM 60 N LEU A 5 5.406 7.508 15.591 1.00 0.86 N ATOM 61 CA LEU A 5 5.668 7.480 14.147 1.00 0.88 C ATOM 62 C LEU A 5 6.585 6.322 13.738 1.00 0.96 C ATOM 63 O LEU A 5 6.342 5.738 12.681 1.00 1.10 O ATOM 64 CB LEU A 5 6.199 8.848 13.684 1.00 0.93 C ATOM 65 CG LEU A 5 6.385 8.995 12.155 1.00 1.13 C ATOM 66 CD1 LEU A 5 5.103 8.694 11.358 1.00 1.52 C ATOM 67 CD2 LEU A 5 6.867 10.414 11.827 1.00 2.17 C ATOM 0 H LEU A 5 5.846 8.288 16.079 1.00 0.86 H new ATOM 0 HA LEU A 5 4.725 7.292 13.634 1.00 0.88 H new ATOM 0 HB2 LEU A 5 5.513 9.622 14.027 1.00 0.93 H new ATOM 0 HB3 LEU A 5 7.157 9.033 14.171 1.00 0.93 H new ATOM 0 HG LEU A 5 7.129 8.256 11.856 1.00 1.13 H new ATOM 0 HD11 LEU A 5 5.300 8.815 10.293 1.00 1.52 H new ATOM 0 HD12 LEU A 5 4.785 7.670 11.554 1.00 1.52 H new ATOM 0 HD13 LEU A 5 4.315 9.384 11.662 1.00 1.52 H new ATOM 0 HD21 LEU A 5 6.997 10.514 10.749 1.00 2.17 H new ATOM 0 HD22 LEU A 5 6.129 11.138 12.172 1.00 2.17 H new ATOM 0 HD23 LEU A 5 7.818 10.600 12.326 1.00 2.17 H new ATOM 79 N GLU A 6 7.536 5.906 14.593 1.00 0.96 N ATOM 80 CA GLU A 6 8.268 4.640 14.403 1.00 1.12 C ATOM 81 C GLU A 6 7.288 3.492 14.157 1.00 1.23 C ATOM 82 O GLU A 6 7.471 2.674 13.255 1.00 1.42 O ATOM 83 CB GLU A 6 9.029 4.234 15.673 1.00 1.07 C ATOM 84 CG GLU A 6 10.204 5.115 16.086 1.00 2.50 C ATOM 85 CD GLU A 6 10.694 4.790 17.504 1.00 3.38 C ATOM 86 OE1 GLU A 6 10.022 4.012 18.220 1.00 3.85 O ATOM 87 OE2 GLU A 6 11.766 5.312 17.897 1.00 4.52 O ATOM 0 H GLU A 6 7.816 6.428 15.423 1.00 0.96 H new ATOM 0 HA GLU A 6 8.944 4.805 13.564 1.00 1.12 H new ATOM 0 HB2 GLU A 6 8.319 4.206 16.500 1.00 1.07 H new ATOM 0 HB3 GLU A 6 9.399 3.218 15.536 1.00 1.07 H new ATOM 0 HG2 GLU A 6 11.023 4.982 15.380 1.00 2.50 H new ATOM 0 HG3 GLU A 6 9.907 6.163 16.036 1.00 2.50 H new ATOM 94 N LYS A 7 6.213 3.443 14.950 1.00 1.17 N ATOM 95 CA LYS A 7 5.287 2.307 14.956 1.00 1.28 C ATOM 96 C LYS A 7 4.496 2.206 13.644 1.00 1.19 C ATOM 97 O LYS A 7 4.018 1.121 13.297 1.00 1.25 O ATOM 98 CB LYS A 7 4.348 2.334 16.177 1.00 1.40 C ATOM 99 CG LYS A 7 4.978 2.705 17.513 1.00 1.84 C ATOM 100 CD LYS A 7 6.316 2.024 17.823 1.00 2.85 C ATOM 101 CE LYS A 7 6.688 2.524 19.207 1.00 3.74 C ATOM 102 NZ LYS A 7 8.130 2.410 19.520 1.00 4.69 N ATOM 0 H LYS A 7 5.961 4.186 15.602 1.00 1.17 H new ATOM 0 HA LYS A 7 5.897 1.407 15.038 1.00 1.28 H new ATOM 0 HB2 LYS A 7 3.543 3.040 15.972 1.00 1.40 H new ATOM 0 HB3 LYS A 7 3.891 1.349 16.277 1.00 1.40 H new ATOM 0 HG2 LYS A 7 5.125 3.785 17.538 1.00 1.84 H new ATOM 0 HG3 LYS A 7 4.273 2.461 18.308 1.00 1.84 H new ATOM 0 HD2 LYS A 7 6.222 0.938 17.806 1.00 2.85 H new ATOM 0 HD3 LYS A 7 7.076 2.290 17.088 1.00 2.85 H new ATOM 0 HE2 LYS A 7 6.388 3.568 19.298 1.00 3.74 H new ATOM 0 HE3 LYS A 7 6.120 1.964 19.950 1.00 3.74 H new ATOM 0 HZ1 LYS A 7 8.248 2.038 20.484 1.00 4.69 H new ATOM 0 HZ2 LYS A 7 8.582 1.764 18.842 1.00 4.69 H new ATOM 0 HZ3 LYS A 7 8.575 3.348 19.454 1.00 4.69 H new ATOM 116 N ALA A 8 4.381 3.303 12.884 1.00 1.07 N ATOM 117 CA ALA A 8 3.840 3.275 11.526 1.00 1.03 C ATOM 118 C ALA A 8 4.727 2.423 10.612 1.00 0.93 C ATOM 119 O ALA A 8 4.247 1.473 9.996 1.00 0.88 O ATOM 120 CB ALA A 8 3.704 4.713 11.007 1.00 1.19 C ATOM 0 H ALA A 8 4.661 4.233 13.196 1.00 1.07 H new ATOM 0 HA ALA A 8 2.852 2.815 11.533 1.00 1.03 H new ATOM 0 HB1 ALA A 8 3.301 4.698 9.994 1.00 1.19 H new ATOM 0 HB2 ALA A 8 3.031 5.272 11.657 1.00 1.19 H new ATOM 0 HB3 ALA A 8 4.683 5.192 11.000 1.00 1.19 H new ATOM 126 N LEU A 9 6.037 2.698 10.611 1.00 0.96 N ATOM 127 CA LEU A 9 7.029 1.921 9.874 1.00 0.95 C ATOM 128 C LEU A 9 7.094 0.483 10.396 1.00 0.91 C ATOM 129 O LEU A 9 7.039 -0.429 9.575 1.00 0.89 O ATOM 130 CB LEU A 9 8.409 2.612 9.903 1.00 1.05 C ATOM 131 CG LEU A 9 8.536 3.966 9.167 1.00 0.86 C ATOM 132 CD1 LEU A 9 7.938 3.918 7.752 1.00 1.02 C ATOM 133 CD2 LEU A 9 7.933 5.139 9.952 1.00 1.12 C ATOM 0 H LEU A 9 6.439 3.478 11.131 1.00 0.96 H new ATOM 0 HA LEU A 9 6.719 1.872 8.830 1.00 0.95 H new ATOM 0 HB2 LEU A 9 8.688 2.766 10.945 1.00 1.05 H new ATOM 0 HB3 LEU A 9 9.140 1.925 9.476 1.00 1.05 H new ATOM 0 HG LEU A 9 9.608 4.143 9.084 1.00 0.86 H new ATOM 0 HD11 LEU A 9 8.051 4.892 7.276 1.00 1.02 H new ATOM 0 HD12 LEU A 9 8.458 3.163 7.162 1.00 1.02 H new ATOM 0 HD13 LEU A 9 6.880 3.665 7.813 1.00 1.02 H new ATOM 0 HD21 LEU A 9 8.055 6.060 9.381 1.00 1.12 H new ATOM 0 HD22 LEU A 9 6.872 4.955 10.123 1.00 1.12 H new ATOM 0 HD23 LEU A 9 8.443 5.236 10.910 1.00 1.12 H new ATOM 145 N THR A 10 7.096 0.263 11.723 1.00 0.93 N ATOM 146 CA THR A 10 7.002 -1.081 12.335 1.00 0.94 C ATOM 147 C THR A 10 5.819 -1.867 11.779 1.00 0.92 C ATOM 148 O THR A 10 5.991 -3.020 11.388 1.00 0.95 O ATOM 149 CB THR A 10 6.870 -0.991 13.861 1.00 0.98 C ATOM 150 OG1 THR A 10 7.870 -0.160 14.390 1.00 1.14 O ATOM 151 CG2 THR A 10 7.006 -2.362 14.521 1.00 1.27 C ATOM 0 H THR A 10 7.163 1.016 12.408 1.00 0.93 H new ATOM 0 HA THR A 10 7.925 -1.603 12.085 1.00 0.94 H new ATOM 0 HB THR A 10 5.880 -0.585 14.068 1.00 0.98 H new ATOM 0 HG1 THR A 10 7.773 -0.110 15.364 1.00 1.14 H new ATOM 0 HG21 THR A 10 6.907 -2.257 15.601 1.00 1.27 H new ATOM 0 HG22 THR A 10 6.225 -3.025 14.148 1.00 1.27 H new ATOM 0 HG23 THR A 10 7.983 -2.784 14.286 1.00 1.27 H new ATOM 159 N THR A 11 4.634 -1.254 11.690 1.00 0.91 N ATOM 160 CA THR A 11 3.419 -1.918 11.197 1.00 0.90 C ATOM 161 C THR A 11 3.495 -2.162 9.690 1.00 0.78 C ATOM 162 O THR A 11 3.106 -3.232 9.226 1.00 0.75 O ATOM 163 CB THR A 11 2.174 -1.117 11.593 1.00 0.89 C ATOM 164 OG1 THR A 11 2.209 -0.873 12.979 1.00 1.18 O ATOM 165 CG2 THR A 11 0.894 -1.905 11.319 1.00 1.07 C ATOM 0 H THR A 11 4.488 -0.281 11.958 1.00 0.91 H new ATOM 0 HA THR A 11 3.342 -2.898 11.668 1.00 0.90 H new ATOM 0 HB THR A 11 2.175 -0.196 11.011 1.00 0.89 H new ATOM 0 HG1 THR A 11 2.751 -0.076 13.157 1.00 1.18 H new ATOM 0 HG21 THR A 11 0.030 -1.308 11.611 1.00 1.07 H new ATOM 0 HG22 THR A 11 0.831 -2.139 10.256 1.00 1.07 H new ATOM 0 HG23 THR A 11 0.907 -2.831 11.894 1.00 1.07 H new ATOM 173 N MET A 12 4.080 -1.230 8.928 1.00 0.76 N ATOM 174 CA MET A 12 4.350 -1.399 7.491 1.00 0.75 C ATOM 175 C MET A 12 5.343 -2.530 7.222 1.00 0.77 C ATOM 176 O MET A 12 5.050 -3.406 6.415 1.00 0.76 O ATOM 177 CB MET A 12 4.872 -0.093 6.878 1.00 0.75 C ATOM 178 CG MET A 12 3.768 0.948 6.740 1.00 0.80 C ATOM 179 SD MET A 12 4.398 2.581 6.284 1.00 0.95 S ATOM 180 CE MET A 12 3.481 2.886 4.755 1.00 0.99 C ATOM 0 H MET A 12 4.383 -0.327 9.293 1.00 0.76 H new ATOM 0 HA MET A 12 3.403 -1.665 7.020 1.00 0.75 H new ATOM 0 HB2 MET A 12 5.672 0.306 7.501 1.00 0.75 H new ATOM 0 HB3 MET A 12 5.303 -0.298 5.898 1.00 0.75 H new ATOM 0 HG2 MET A 12 3.054 0.616 5.987 1.00 0.80 H new ATOM 0 HG3 MET A 12 3.226 1.023 7.682 1.00 0.80 H new ATOM 0 HE1 MET A 12 3.761 3.859 4.351 1.00 0.99 H new ATOM 0 HE2 MET A 12 3.717 2.109 4.028 1.00 0.99 H new ATOM 0 HE3 MET A 12 2.411 2.874 4.964 1.00 0.99 H new ATOM 190 N VAL A 13 6.490 -2.572 7.910 1.00 0.84 N ATOM 191 CA VAL A 13 7.452 -3.677 7.734 1.00 0.88 C ATOM 192 C VAL A 13 6.878 -5.026 8.192 1.00 0.89 C ATOM 193 O VAL A 13 7.261 -6.051 7.637 1.00 0.98 O ATOM 194 CB VAL A 13 8.842 -3.436 8.372 1.00 0.93 C ATOM 195 CG1 VAL A 13 9.536 -2.202 7.773 1.00 0.95 C ATOM 196 CG2 VAL A 13 8.845 -3.348 9.901 1.00 0.96 C ATOM 0 H VAL A 13 6.777 -1.865 8.587 1.00 0.84 H new ATOM 0 HA VAL A 13 7.618 -3.711 6.657 1.00 0.88 H new ATOM 0 HB VAL A 13 9.408 -4.333 8.122 1.00 0.93 H new ATOM 0 HG11 VAL A 13 10.508 -2.066 8.246 1.00 0.95 H new ATOM 0 HG12 VAL A 13 9.671 -2.345 6.701 1.00 0.95 H new ATOM 0 HG13 VAL A 13 8.921 -1.319 7.947 1.00 0.95 H new ATOM 0 HG21 VAL A 13 9.862 -3.178 10.254 1.00 0.96 H new ATOM 0 HG22 VAL A 13 8.208 -2.523 10.219 1.00 0.96 H new ATOM 0 HG23 VAL A 13 8.467 -4.281 10.320 1.00 0.96 H new ATOM 206 N THR A 14 5.936 -5.032 9.149 1.00 0.86 N ATOM 207 CA THR A 14 5.252 -6.245 9.627 1.00 0.89 C ATOM 208 C THR A 14 4.279 -6.778 8.579 1.00 0.89 C ATOM 209 O THR A 14 4.382 -7.949 8.213 1.00 1.05 O ATOM 210 CB THR A 14 4.559 -5.984 10.967 1.00 0.93 C ATOM 211 OG1 THR A 14 5.550 -5.629 11.897 1.00 1.15 O ATOM 212 CG2 THR A 14 3.861 -7.223 11.527 1.00 1.20 C ATOM 0 H THR A 14 5.624 -4.182 9.619 1.00 0.86 H new ATOM 0 HA THR A 14 6.002 -7.019 9.790 1.00 0.89 H new ATOM 0 HB THR A 14 3.811 -5.208 10.804 1.00 0.93 H new ATOM 0 HG1 THR A 14 5.803 -4.692 11.764 1.00 1.15 H new ATOM 0 HG21 THR A 14 3.388 -6.976 12.478 1.00 1.20 H new ATOM 0 HG22 THR A 14 3.102 -7.563 10.822 1.00 1.20 H new ATOM 0 HG23 THR A 14 4.594 -8.015 11.681 1.00 1.20 H new ATOM 220 N THR A 15 3.367 -5.933 8.082 1.00 0.75 N ATOM 221 CA THR A 15 2.355 -6.294 7.070 1.00 0.70 C ATOM 222 C THR A 15 2.990 -6.692 5.746 1.00 0.67 C ATOM 223 O THR A 15 2.597 -7.704 5.174 1.00 0.75 O ATOM 224 CB THR A 15 1.320 -5.175 6.865 1.00 0.68 C ATOM 225 OG1 THR A 15 1.957 -3.924 6.743 1.00 1.33 O ATOM 226 CG2 THR A 15 0.335 -5.098 8.028 1.00 0.98 C ATOM 0 H THR A 15 3.307 -4.958 8.376 1.00 0.75 H new ATOM 0 HA THR A 15 1.828 -7.165 7.460 1.00 0.70 H new ATOM 0 HB THR A 15 0.778 -5.413 5.950 1.00 0.68 H new ATOM 0 HG1 THR A 15 2.232 -3.609 7.629 1.00 1.33 H new ATOM 0 HG21 THR A 15 -0.380 -4.296 7.847 1.00 0.98 H new ATOM 0 HG22 THR A 15 -0.197 -6.045 8.118 1.00 0.98 H new ATOM 0 HG23 THR A 15 0.878 -4.898 8.952 1.00 0.98 H new ATOM 234 N PHE A 16 4.015 -5.979 5.287 1.00 0.65 N ATOM 235 CA PHE A 16 4.772 -6.340 4.080 1.00 0.64 C ATOM 236 C PHE A 16 5.501 -7.695 4.222 1.00 0.67 C ATOM 237 O PHE A 16 5.449 -8.543 3.326 1.00 0.66 O ATOM 238 CB PHE A 16 5.744 -5.179 3.820 1.00 0.67 C ATOM 239 CG PHE A 16 6.640 -5.302 2.604 1.00 0.68 C ATOM 240 CD1 PHE A 16 7.850 -6.010 2.699 1.00 1.74 C ATOM 241 CD2 PHE A 16 6.295 -4.662 1.396 1.00 1.75 C ATOM 242 CE1 PHE A 16 8.700 -6.099 1.584 1.00 1.77 C ATOM 243 CE2 PHE A 16 7.160 -4.733 0.292 1.00 1.74 C ATOM 244 CZ PHE A 16 8.353 -5.473 0.383 1.00 0.73 C ATOM 0 H PHE A 16 4.350 -5.129 5.741 1.00 0.65 H new ATOM 0 HA PHE A 16 4.101 -6.482 3.233 1.00 0.64 H new ATOM 0 HB2 PHE A 16 5.162 -4.263 3.722 1.00 0.67 H new ATOM 0 HB3 PHE A 16 6.378 -5.062 4.699 1.00 0.67 H new ATOM 0 HD1 PHE A 16 8.126 -6.485 3.629 1.00 1.74 H new ATOM 0 HD2 PHE A 16 5.366 -4.117 1.320 1.00 1.75 H new ATOM 0 HE1 PHE A 16 9.625 -6.653 1.655 1.00 1.77 H new ATOM 0 HE2 PHE A 16 6.910 -4.220 -0.625 1.00 1.74 H new ATOM 0 HZ PHE A 16 9.002 -5.558 -0.476 1.00 0.73 H new ATOM 254 N HIS A 17 6.152 -7.923 5.372 1.00 0.74 N ATOM 255 CA HIS A 17 6.815 -9.191 5.713 1.00 0.74 C ATOM 256 C HIS A 17 5.837 -10.383 5.766 1.00 0.72 C ATOM 257 O HIS A 17 6.195 -11.479 5.336 1.00 0.81 O ATOM 258 CB HIS A 17 7.549 -9.011 7.051 1.00 0.83 C ATOM 259 CG HIS A 17 8.136 -10.269 7.641 1.00 0.99 C ATOM 260 ND1 HIS A 17 7.967 -10.691 8.939 1.00 1.93 N ATOM 261 CD2 HIS A 17 8.944 -11.186 7.022 1.00 1.60 C ATOM 262 CE1 HIS A 17 8.654 -11.835 9.096 1.00 2.26 C ATOM 263 NE2 HIS A 17 9.277 -12.174 7.958 1.00 1.96 N ATOM 0 H HIS A 17 6.234 -7.218 6.105 1.00 0.74 H new ATOM 0 HA HIS A 17 7.527 -9.433 4.924 1.00 0.74 H new ATOM 0 HB2 HIS A 17 8.351 -8.287 6.911 1.00 0.83 H new ATOM 0 HB3 HIS A 17 6.854 -8.581 7.772 1.00 0.83 H new ATOM 0 HD2 HIS A 17 9.268 -11.153 5.992 1.00 1.60 H new ATOM 0 HE1 HIS A 17 8.698 -12.404 10.013 1.00 2.26 H new ATOM 0 HE2 HIS A 17 9.873 -12.987 7.805 1.00 1.96 H new ATOM 272 N LYS A 18 4.589 -10.171 6.203 1.00 0.72 N ATOM 273 CA LYS A 18 3.532 -11.191 6.300 1.00 0.83 C ATOM 274 C LYS A 18 3.181 -11.849 4.951 1.00 0.75 C ATOM 275 O LYS A 18 2.685 -12.977 4.933 1.00 0.98 O ATOM 276 CB LYS A 18 2.310 -10.508 6.949 1.00 1.01 C ATOM 277 CG LYS A 18 1.173 -11.428 7.421 1.00 1.16 C ATOM 278 CD LYS A 18 -0.011 -11.425 6.438 1.00 1.82 C ATOM 279 CE LYS A 18 -1.292 -12.012 7.038 1.00 2.22 C ATOM 280 NZ LYS A 18 -1.911 -11.070 8.004 1.00 2.79 N ATOM 0 H LYS A 18 4.274 -9.251 6.511 1.00 0.72 H new ATOM 0 HA LYS A 18 3.886 -12.022 6.910 1.00 0.83 H new ATOM 0 HB2 LYS A 18 2.658 -9.931 7.806 1.00 1.01 H new ATOM 0 HB3 LYS A 18 1.897 -9.798 6.233 1.00 1.01 H new ATOM 0 HG2 LYS A 18 1.550 -12.445 7.532 1.00 1.16 H new ATOM 0 HG3 LYS A 18 0.830 -11.106 8.404 1.00 1.16 H new ATOM 0 HD2 LYS A 18 -0.204 -10.402 6.114 1.00 1.82 H new ATOM 0 HD3 LYS A 18 0.261 -11.995 5.549 1.00 1.82 H new ATOM 0 HE2 LYS A 18 -2.000 -12.238 6.241 1.00 2.22 H new ATOM 0 HE3 LYS A 18 -1.065 -12.953 7.538 1.00 2.22 H new ATOM 0 HZ1 LYS A 18 -2.346 -11.606 8.782 1.00 2.79 H new ATOM 0 HZ2 LYS A 18 -1.181 -10.436 8.387 1.00 2.79 H new ATOM 0 HZ3 LYS A 18 -2.640 -10.507 7.521 1.00 2.79 H new ATOM 294 N TYR A 19 3.450 -11.170 3.831 1.00 0.57 N ATOM 295 CA TYR A 19 3.310 -11.698 2.468 1.00 0.70 C ATOM 296 C TYR A 19 4.664 -12.055 1.842 1.00 0.90 C ATOM 297 O TYR A 19 4.794 -13.085 1.197 1.00 1.57 O ATOM 298 CB TYR A 19 2.565 -10.669 1.610 1.00 0.64 C ATOM 299 CG TYR A 19 1.113 -10.506 2.015 1.00 0.55 C ATOM 300 CD1 TYR A 19 0.802 -9.737 3.147 1.00 1.78 C ATOM 301 CD2 TYR A 19 0.084 -11.160 1.313 1.00 2.02 C ATOM 302 CE1 TYR A 19 -0.521 -9.627 3.595 1.00 1.84 C ATOM 303 CE2 TYR A 19 -1.253 -11.036 1.738 1.00 2.00 C ATOM 304 CZ TYR A 19 -1.559 -10.269 2.884 1.00 0.60 C ATOM 305 OH TYR A 19 -2.847 -10.146 3.298 1.00 0.71 O ATOM 0 H TYR A 19 3.782 -10.206 3.848 1.00 0.57 H new ATOM 0 HA TYR A 19 2.738 -12.625 2.514 1.00 0.70 H new ATOM 0 HB2 TYR A 19 3.069 -9.706 1.687 1.00 0.64 H new ATOM 0 HB3 TYR A 19 2.614 -10.972 0.564 1.00 0.64 H new ATOM 0 HD1 TYR A 19 1.591 -9.225 3.678 1.00 1.78 H new ATOM 0 HD2 TYR A 19 0.320 -11.759 0.446 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -0.747 -9.053 4.482 1.00 1.84 H new ATOM 0 HE2 TYR A 19 -2.043 -11.527 1.189 1.00 2.00 H new ATOM 0 HH TYR A 19 -3.434 -10.650 2.696 1.00 0.71 H new ATOM 315 N SER A 20 5.712 -11.274 2.115 1.00 0.65 N ATOM 316 CA SER A 20 7.090 -11.575 1.660 1.00 0.77 C ATOM 317 C SER A 20 7.602 -12.924 2.212 1.00 0.99 C ATOM 318 O SER A 20 8.331 -13.652 1.542 1.00 1.41 O ATOM 319 CB SER A 20 8.035 -10.439 2.069 1.00 0.91 C ATOM 320 OG SER A 20 7.590 -9.159 1.640 1.00 1.67 O ATOM 0 H SER A 20 5.639 -10.413 2.657 1.00 0.65 H new ATOM 0 HA SER A 20 7.069 -11.658 0.573 1.00 0.77 H new ATOM 0 HB2 SER A 20 8.140 -10.435 3.154 1.00 0.91 H new ATOM 0 HB3 SER A 20 9.024 -10.631 1.654 1.00 0.91 H new ATOM 0 HG SER A 20 6.841 -8.868 2.201 1.00 1.67 H new ATOM 326 N GLY A 21 7.142 -13.344 3.398 1.00 1.24 N ATOM 327 CA GLY A 21 7.402 -14.668 3.982 1.00 1.67 C ATOM 328 C GLY A 21 6.746 -15.848 3.250 1.00 1.84 C ATOM 329 O GLY A 21 6.776 -16.961 3.773 1.00 2.42 O ATOM 0 H GLY A 21 6.562 -12.755 3.996 1.00 1.24 H new ATOM 0 HA2 GLY A 21 8.479 -14.831 4.007 1.00 1.67 H new ATOM 0 HA3 GLY A 21 7.056 -14.665 5.016 1.00 1.67 H new ATOM 332 N ARG A 22 6.162 -15.621 2.066 1.00 1.72 N ATOM 333 CA ARG A 22 5.693 -16.641 1.109 1.00 2.10 C ATOM 334 C ARG A 22 6.454 -16.606 -0.233 1.00 2.65 C ATOM 335 O ARG A 22 6.198 -17.459 -1.079 1.00 3.62 O ATOM 336 CB ARG A 22 4.208 -16.392 0.804 1.00 2.08 C ATOM 337 CG ARG A 22 3.261 -16.693 1.982 1.00 2.25 C ATOM 338 CD ARG A 22 2.132 -15.661 2.108 1.00 2.40 C ATOM 339 NE ARG A 22 1.490 -15.340 0.827 1.00 2.20 N ATOM 340 CZ ARG A 22 0.657 -16.032 0.071 1.00 2.70 C ATOM 341 NH1 ARG A 22 0.217 -17.223 0.422 1.00 3.65 N ATOM 342 NH2 ARG A 22 0.264 -15.511 -1.067 1.00 3.37 N ATOM 0 H ARG A 22 5.994 -14.673 1.729 1.00 1.72 H new ATOM 0 HA ARG A 22 5.865 -17.612 1.574 1.00 2.10 H new ATOM 0 HB2 ARG A 22 4.080 -15.351 0.506 1.00 2.08 H new ATOM 0 HB3 ARG A 22 3.916 -17.006 -0.048 1.00 2.08 H new ATOM 0 HG2 ARG A 22 2.829 -17.685 1.852 1.00 2.25 H new ATOM 0 HG3 ARG A 22 3.835 -16.714 2.909 1.00 2.25 H new ATOM 0 HD2 ARG A 22 1.379 -16.040 2.799 1.00 2.40 H new ATOM 0 HD3 ARG A 22 2.533 -14.746 2.544 1.00 2.40 H new ATOM 0 HE ARG A 22 1.730 -14.421 0.456 1.00 2.20 H new ATOM 0 HH11 ARG A 22 0.519 -17.639 1.303 1.00 3.65 H new ATOM 0 HH12 ARG A 22 -0.426 -17.729 -0.187 1.00 3.65 H new ATOM 0 HH21 ARG A 22 0.602 -14.591 -1.350 1.00 3.37 H new ATOM 0 HH22 ARG A 22 -0.379 -16.026 -1.669 1.00 3.37 H new ATOM 356 N GLU A 23 7.317 -15.611 -0.451 1.00 2.38 N ATOM 357 CA GLU A 23 7.886 -15.246 -1.754 1.00 3.34 C ATOM 358 C GLU A 23 9.372 -15.636 -1.879 1.00 2.88 C ATOM 359 O GLU A 23 9.942 -16.255 -0.981 1.00 2.80 O ATOM 360 CB GLU A 23 7.647 -13.735 -1.946 1.00 4.16 C ATOM 361 CG GLU A 23 6.212 -13.461 -2.431 1.00 5.47 C ATOM 362 CD GLU A 23 6.101 -13.461 -3.959 1.00 6.14 C ATOM 363 OE1 GLU A 23 6.907 -14.153 -4.612 1.00 6.25 O ATOM 364 OE2 GLU A 23 5.225 -12.725 -4.479 1.00 7.07 O ATOM 0 H GLU A 23 7.653 -15.013 0.304 1.00 2.38 H new ATOM 0 HA GLU A 23 7.394 -15.805 -2.550 1.00 3.34 H new ATOM 0 HB2 GLU A 23 7.823 -13.213 -1.005 1.00 4.16 H new ATOM 0 HB3 GLU A 23 8.361 -13.339 -2.668 1.00 4.16 H new ATOM 0 HG2 GLU A 23 5.542 -14.217 -2.021 1.00 5.47 H new ATOM 0 HG3 GLU A 23 5.879 -12.497 -2.045 1.00 5.47 H new ATOM 371 N GLY A 24 10.014 -15.278 -3.002 1.00 3.35 N ATOM 372 CA GLY A 24 11.401 -15.658 -3.335 1.00 3.49 C ATOM 373 C GLY A 24 12.481 -15.150 -2.369 1.00 2.93 C ATOM 374 O GLY A 24 13.621 -15.606 -2.414 1.00 3.89 O ATOM 0 H GLY A 24 9.576 -14.703 -3.722 1.00 3.35 H new ATOM 0 HA2 GLY A 24 11.460 -16.746 -3.377 1.00 3.49 H new ATOM 0 HA3 GLY A 24 11.630 -15.287 -4.334 1.00 3.49 H new ATOM 377 N SER A 25 12.124 -14.243 -1.465 1.00 2.00 N ATOM 378 CA SER A 25 12.946 -13.749 -0.365 1.00 1.83 C ATOM 379 C SER A 25 12.040 -13.121 0.698 1.00 1.92 C ATOM 380 O SER A 25 10.991 -12.585 0.360 1.00 2.03 O ATOM 381 CB SER A 25 13.944 -12.724 -0.909 1.00 1.96 C ATOM 382 OG SER A 25 14.768 -12.233 0.130 1.00 2.99 O ATOM 0 H SER A 25 11.201 -13.808 -1.481 1.00 2.00 H new ATOM 0 HA SER A 25 13.501 -14.567 0.093 1.00 1.83 H new ATOM 0 HB2 SER A 25 14.560 -13.183 -1.683 1.00 1.96 H new ATOM 0 HB3 SER A 25 13.407 -11.898 -1.376 1.00 1.96 H new ATOM 0 HG SER A 25 15.401 -11.580 -0.235 1.00 2.99 H new ATOM 388 N LYS A 26 12.414 -13.079 1.993 1.00 2.12 N ATOM 389 CA LYS A 26 11.495 -12.550 3.015 1.00 2.22 C ATOM 390 C LYS A 26 11.395 -11.008 2.962 1.00 2.14 C ATOM 391 O LYS A 26 10.765 -10.393 3.818 1.00 2.18 O ATOM 392 CB LYS A 26 11.901 -13.133 4.384 1.00 2.49 C ATOM 393 CG LYS A 26 13.217 -12.560 4.941 1.00 1.51 C ATOM 394 CD LYS A 26 13.924 -13.475 5.952 1.00 1.93 C ATOM 395 CE LYS A 26 13.007 -13.943 7.085 1.00 2.83 C ATOM 396 NZ LYS A 26 13.802 -14.558 8.173 1.00 3.38 N ATOM 0 H LYS A 26 13.317 -13.395 2.346 1.00 2.12 H new ATOM 0 HA LYS A 26 10.473 -12.873 2.817 1.00 2.22 H new ATOM 0 HB2 LYS A 26 11.102 -12.943 5.100 1.00 2.49 H new ATOM 0 HB3 LYS A 26 11.997 -14.215 4.293 1.00 2.49 H new ATOM 0 HG2 LYS A 26 13.895 -12.363 4.110 1.00 1.51 H new ATOM 0 HG3 LYS A 26 13.010 -11.602 5.418 1.00 1.51 H new ATOM 0 HD2 LYS A 26 14.319 -14.346 5.430 1.00 1.93 H new ATOM 0 HD3 LYS A 26 14.776 -12.945 6.378 1.00 1.93 H new ATOM 0 HE2 LYS A 26 12.439 -13.098 7.474 1.00 2.83 H new ATOM 0 HE3 LYS A 26 12.284 -14.664 6.702 1.00 2.83 H new ATOM 0 HZ1 LYS A 26 13.163 -14.901 8.919 1.00 3.38 H new ATOM 0 HZ2 LYS A 26 14.351 -15.356 7.794 1.00 3.38 H new ATOM 0 HZ3 LYS A 26 14.451 -13.850 8.572 1.00 3.38 H new ATOM 410 N LEU A 27 12.091 -10.407 1.988 1.00 2.10 N ATOM 411 CA LEU A 27 12.447 -8.997 1.821 1.00 2.11 C ATOM 412 C LEU A 27 11.746 -8.350 0.623 1.00 1.73 C ATOM 413 O LEU A 27 11.859 -7.136 0.452 1.00 1.77 O ATOM 414 CB LEU A 27 13.973 -8.914 1.591 1.00 2.69 C ATOM 415 CG LEU A 27 14.850 -9.775 2.518 1.00 3.66 C ATOM 416 CD1 LEU A 27 16.337 -9.543 2.215 1.00 4.31 C ATOM 417 CD2 LEU A 27 14.572 -9.477 3.989 1.00 3.93 C ATOM 0 H LEU A 27 12.457 -10.961 1.214 1.00 2.10 H new ATOM 0 HA LEU A 27 12.133 -8.463 2.717 1.00 2.11 H new ATOM 0 HB2 LEU A 27 14.180 -9.201 0.560 1.00 2.69 H new ATOM 0 HB3 LEU A 27 14.279 -7.874 1.699 1.00 2.69 H new ATOM 0 HG LEU A 27 14.600 -10.819 2.329 1.00 3.66 H new ATOM 0 HD11 LEU A 27 16.944 -10.159 2.879 1.00 4.31 H new ATOM 0 HD12 LEU A 27 16.544 -9.813 1.179 1.00 4.31 H new ATOM 0 HD13 LEU A 27 16.581 -8.492 2.371 1.00 4.31 H new ATOM 0 HD21 LEU A 27 15.209 -10.103 4.614 1.00 3.93 H new ATOM 0 HD22 LEU A 27 14.782 -8.427 4.194 1.00 3.93 H new ATOM 0 HD23 LEU A 27 13.526 -9.688 4.212 1.00 3.93 H new ATOM 429 N THR A 28 11.068 -9.154 -0.194 1.00 1.53 N ATOM 430 CA THR A 28 10.419 -8.771 -1.441 1.00 1.28 C ATOM 431 C THR A 28 9.149 -9.589 -1.601 1.00 1.17 C ATOM 432 O THR A 28 8.949 -10.605 -0.938 1.00 1.33 O ATOM 433 CB THR A 28 11.344 -8.998 -2.649 1.00 1.34 C ATOM 434 OG1 THR A 28 11.915 -10.285 -2.591 1.00 1.46 O ATOM 435 CG2 THR A 28 12.475 -7.978 -2.727 1.00 1.43 C ATOM 0 H THR A 28 10.952 -10.146 0.011 1.00 1.53 H new ATOM 0 HA THR A 28 10.183 -7.708 -1.402 1.00 1.28 H new ATOM 0 HB THR A 28 10.720 -8.887 -3.536 1.00 1.34 H new ATOM 0 HG1 THR A 28 12.458 -10.438 -3.392 1.00 1.46 H new ATOM 0 HG21 THR A 28 13.095 -8.188 -3.599 1.00 1.43 H new ATOM 0 HG22 THR A 28 12.056 -6.976 -2.813 1.00 1.43 H new ATOM 0 HG23 THR A 28 13.084 -8.040 -1.825 1.00 1.43 H new ATOM 443 N LEU A 29 8.296 -9.144 -2.511 1.00 0.94 N ATOM 444 CA LEU A 29 7.057 -9.812 -2.899 1.00 0.84 C ATOM 445 C LEU A 29 6.672 -9.359 -4.301 1.00 0.71 C ATOM 446 O LEU A 29 7.119 -8.308 -4.756 1.00 0.71 O ATOM 447 CB LEU A 29 5.931 -9.594 -1.857 1.00 0.74 C ATOM 448 CG LEU A 29 5.174 -8.248 -1.881 1.00 0.62 C ATOM 449 CD1 LEU A 29 4.115 -8.232 -0.769 1.00 0.70 C ATOM 450 CD2 LEU A 29 6.090 -7.045 -1.669 1.00 0.74 C ATOM 0 H LEU A 29 8.451 -8.274 -3.021 1.00 0.94 H new ATOM 0 HA LEU A 29 7.215 -10.890 -2.920 1.00 0.84 H new ATOM 0 HB2 LEU A 29 5.199 -10.392 -1.984 1.00 0.74 H new ATOM 0 HB3 LEU A 29 6.366 -9.715 -0.865 1.00 0.74 H new ATOM 0 HG LEU A 29 4.723 -8.166 -2.870 1.00 0.62 H new ATOM 0 HD11 LEU A 29 3.582 -7.281 -0.788 1.00 0.70 H new ATOM 0 HD12 LEU A 29 3.409 -9.047 -0.927 1.00 0.70 H new ATOM 0 HD13 LEU A 29 4.601 -8.356 0.199 1.00 0.70 H new ATOM 0 HD21 LEU A 29 5.500 -6.129 -1.696 1.00 0.74 H new ATOM 0 HD22 LEU A 29 6.584 -7.130 -0.701 1.00 0.74 H new ATOM 0 HD23 LEU A 29 6.841 -7.016 -2.458 1.00 0.74 H new ATOM 462 N SER A 30 5.879 -10.132 -5.018 1.00 0.70 N ATOM 463 CA SER A 30 5.474 -9.772 -6.369 1.00 0.64 C ATOM 464 C SER A 30 4.527 -8.557 -6.397 1.00 0.60 C ATOM 465 O SER A 30 3.703 -8.368 -5.493 1.00 0.63 O ATOM 466 CB SER A 30 4.863 -10.980 -7.092 1.00 0.80 C ATOM 467 OG SER A 30 3.802 -11.554 -6.348 1.00 1.40 O ATOM 0 H SER A 30 5.499 -11.019 -4.687 1.00 0.70 H new ATOM 0 HA SER A 30 6.373 -9.471 -6.906 1.00 0.64 H new ATOM 0 HB2 SER A 30 4.496 -10.671 -8.071 1.00 0.80 H new ATOM 0 HB3 SER A 30 5.635 -11.730 -7.263 1.00 0.80 H new ATOM 0 HG SER A 30 4.167 -12.175 -5.684 1.00 1.40 H new ATOM 473 N ARG A 31 4.555 -7.756 -7.475 1.00 0.67 N ATOM 474 CA ARG A 31 3.543 -6.698 -7.667 1.00 0.71 C ATOM 475 C ARG A 31 2.120 -7.276 -7.779 1.00 0.70 C ATOM 476 O ARG A 31 1.143 -6.548 -7.595 1.00 0.84 O ATOM 477 CB ARG A 31 3.845 -5.705 -8.819 1.00 1.11 C ATOM 478 CG ARG A 31 5.226 -5.745 -9.502 1.00 1.60 C ATOM 479 CD ARG A 31 5.673 -4.364 -9.996 1.00 1.53 C ATOM 480 NE ARG A 31 4.953 -3.861 -11.179 1.00 2.19 N ATOM 481 CZ ARG A 31 5.115 -2.633 -11.667 1.00 2.74 C ATOM 482 NH1 ARG A 31 5.615 -1.639 -10.967 1.00 2.63 N ATOM 483 NH2 ARG A 31 4.779 -2.382 -12.912 1.00 4.23 N ATOM 0 H ARG A 31 5.253 -7.816 -8.216 1.00 0.67 H new ATOM 0 HA ARG A 31 3.601 -6.099 -6.758 1.00 0.71 H new ATOM 0 HB2 ARG A 31 3.092 -5.860 -9.592 1.00 1.11 H new ATOM 0 HB3 ARG A 31 3.700 -4.697 -8.430 1.00 1.11 H new ATOM 0 HG2 ARG A 31 5.964 -6.134 -8.801 1.00 1.60 H new ATOM 0 HG3 ARG A 31 5.192 -6.436 -10.344 1.00 1.60 H new ATOM 0 HD2 ARG A 31 5.551 -3.648 -9.184 1.00 1.53 H new ATOM 0 HD3 ARG A 31 6.737 -4.405 -10.228 1.00 1.53 H new ATOM 0 HE ARG A 31 4.297 -4.486 -11.648 1.00 2.19 H new ATOM 0 HH11 ARG A 31 5.901 -1.790 -10.000 1.00 2.63 H new ATOM 0 HH12 ARG A 31 5.717 -0.717 -11.391 1.00 2.63 H new ATOM 0 HH21 ARG A 31 4.397 -3.125 -13.497 1.00 4.23 H new ATOM 0 HH22 ARG A 31 4.900 -1.444 -13.294 1.00 4.23 H new ATOM 497 N LYS A 32 1.976 -8.577 -8.067 1.00 0.74 N ATOM 498 CA LYS A 32 0.715 -9.319 -7.947 1.00 0.80 C ATOM 499 C LYS A 32 0.325 -9.525 -6.462 1.00 0.74 C ATOM 500 O LYS A 32 -0.747 -9.073 -6.064 1.00 0.83 O ATOM 501 CB LYS A 32 0.841 -10.642 -8.733 1.00 0.97 C ATOM 502 CG LYS A 32 -0.499 -11.134 -9.319 1.00 1.36 C ATOM 503 CD LYS A 32 -0.885 -10.539 -10.691 1.00 2.51 C ATOM 504 CE LYS A 32 0.142 -10.963 -11.752 1.00 3.61 C ATOM 505 NZ LYS A 32 -0.211 -10.646 -13.160 1.00 4.81 N ATOM 0 H LYS A 32 2.750 -9.154 -8.397 1.00 0.74 H new ATOM 0 HA LYS A 32 -0.102 -8.744 -8.383 1.00 0.80 H new ATOM 0 HB2 LYS A 32 1.557 -10.508 -9.544 1.00 0.97 H new ATOM 0 HB3 LYS A 32 1.246 -11.411 -8.075 1.00 0.97 H new ATOM 0 HG2 LYS A 32 -0.458 -12.219 -9.412 1.00 1.36 H new ATOM 0 HG3 LYS A 32 -1.292 -10.905 -8.607 1.00 1.36 H new ATOM 0 HD2 LYS A 32 -1.880 -10.880 -10.978 1.00 2.51 H new ATOM 0 HD3 LYS A 32 -0.927 -9.452 -10.627 1.00 2.51 H new ATOM 0 HE2 LYS A 32 1.094 -10.485 -11.520 1.00 3.61 H new ATOM 0 HE3 LYS A 32 0.297 -12.039 -11.670 1.00 3.61 H new ATOM 0 HZ1 LYS A 32 0.635 -10.736 -13.759 1.00 4.81 H new ATOM 0 HZ2 LYS A 32 -0.942 -11.307 -13.492 1.00 4.81 H new ATOM 0 HZ3 LYS A 32 -0.573 -9.673 -13.216 1.00 4.81 H new ATOM 519 N GLU A 33 1.214 -10.096 -5.642 1.00 0.74 N ATOM 520 CA GLU A 33 1.012 -10.300 -4.201 1.00 0.75 C ATOM 521 C GLU A 33 0.739 -8.985 -3.439 1.00 0.72 C ATOM 522 O GLU A 33 -0.230 -8.897 -2.684 1.00 0.80 O ATOM 523 CB GLU A 33 2.258 -11.012 -3.646 1.00 0.79 C ATOM 524 CG GLU A 33 2.206 -11.335 -2.153 1.00 1.29 C ATOM 525 CD GLU A 33 1.522 -12.645 -1.803 1.00 1.81 C ATOM 526 OE1 GLU A 33 0.539 -13.070 -2.445 1.00 2.21 O ATOM 527 OE2 GLU A 33 1.938 -13.246 -0.793 1.00 2.95 O ATOM 0 H GLU A 33 2.117 -10.438 -5.969 1.00 0.74 H new ATOM 0 HA GLU A 33 0.121 -10.910 -4.055 1.00 0.75 H new ATOM 0 HB2 GLU A 33 2.404 -11.940 -4.198 1.00 0.79 H new ATOM 0 HB3 GLU A 33 3.130 -10.387 -3.837 1.00 0.79 H new ATOM 0 HG2 GLU A 33 3.225 -11.360 -1.766 1.00 1.29 H new ATOM 0 HG3 GLU A 33 1.690 -10.524 -1.639 1.00 1.29 H new ATOM 534 N LEU A 34 1.537 -7.923 -3.638 1.00 0.67 N ATOM 535 CA LEU A 34 1.302 -6.658 -2.925 1.00 0.76 C ATOM 536 C LEU A 34 -0.110 -6.108 -3.180 1.00 0.70 C ATOM 537 O LEU A 34 -0.786 -5.600 -2.284 1.00 0.71 O ATOM 538 CB LEU A 34 2.368 -5.612 -3.310 1.00 0.89 C ATOM 539 CG LEU A 34 2.058 -4.206 -2.736 1.00 1.10 C ATOM 540 CD1 LEU A 34 1.932 -4.200 -1.207 1.00 1.48 C ATOM 541 CD2 LEU A 34 3.106 -3.174 -3.162 1.00 1.46 C ATOM 0 H LEU A 34 2.335 -7.914 -4.273 1.00 0.67 H new ATOM 0 HA LEU A 34 1.383 -6.867 -1.858 1.00 0.76 H new ATOM 0 HB2 LEU A 34 3.342 -5.941 -2.948 1.00 0.89 H new ATOM 0 HB3 LEU A 34 2.435 -5.550 -4.396 1.00 0.89 H new ATOM 0 HG LEU A 34 1.091 -3.930 -3.156 1.00 1.10 H new ATOM 0 HD11 LEU A 34 1.715 -3.189 -0.864 1.00 1.48 H new ATOM 0 HD12 LEU A 34 1.124 -4.867 -0.906 1.00 1.48 H new ATOM 0 HD13 LEU A 34 2.868 -4.540 -0.763 1.00 1.48 H new ATOM 0 HD21 LEU A 34 2.852 -2.202 -2.739 1.00 1.46 H new ATOM 0 HD22 LEU A 34 4.087 -3.482 -2.801 1.00 1.46 H new ATOM 0 HD23 LEU A 34 3.125 -3.103 -4.249 1.00 1.46 H new ATOM 553 N LYS A 35 -0.580 -6.168 -4.423 1.00 0.69 N ATOM 554 CA LYS A 35 -1.882 -5.596 -4.764 1.00 0.76 C ATOM 555 C LYS A 35 -3.051 -6.405 -4.175 1.00 0.73 C ATOM 556 O LYS A 35 -4.079 -5.815 -3.859 1.00 0.83 O ATOM 557 CB LYS A 35 -1.936 -5.350 -6.273 1.00 1.12 C ATOM 558 CG LYS A 35 -2.752 -6.385 -7.053 1.00 1.41 C ATOM 559 CD LYS A 35 -2.755 -6.120 -8.556 1.00 2.24 C ATOM 560 CE LYS A 35 -1.340 -5.847 -9.077 1.00 4.05 C ATOM 561 NZ LYS A 35 -1.326 -5.575 -10.519 1.00 5.33 N ATOM 0 H LYS A 35 -0.087 -6.601 -5.204 1.00 0.69 H new ATOM 0 HA LYS A 35 -2.005 -4.623 -4.287 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -2.358 -4.361 -6.453 1.00 1.12 H new ATOM 0 HB3 LYS A 35 -0.918 -5.338 -6.664 1.00 1.12 H new ATOM 0 HG2 LYS A 35 -2.346 -7.379 -6.864 1.00 1.41 H new ATOM 0 HG3 LYS A 35 -3.778 -6.384 -6.686 1.00 1.41 H new ATOM 0 HD2 LYS A 35 -3.177 -6.979 -9.078 1.00 2.24 H new ATOM 0 HD3 LYS A 35 -3.396 -5.266 -8.776 1.00 2.24 H new ATOM 0 HE2 LYS A 35 -0.916 -4.996 -8.544 1.00 4.05 H new ATOM 0 HE3 LYS A 35 -0.704 -6.706 -8.864 1.00 4.05 H new ATOM 0 HZ1 LYS A 35 -0.428 -5.905 -10.926 1.00 5.33 H new ATOM 0 HZ2 LYS A 35 -2.116 -6.075 -10.974 1.00 5.33 H new ATOM 0 HZ3 LYS A 35 -1.424 -4.552 -10.680 1.00 5.33 H new ATOM 575 N GLU A 36 -2.859 -7.715 -3.982 1.00 0.78 N ATOM 576 CA GLU A 36 -3.720 -8.547 -3.152 1.00 0.84 C ATOM 577 C GLU A 36 -3.744 -7.989 -1.716 1.00 0.83 C ATOM 578 O GLU A 36 -4.827 -7.664 -1.238 1.00 1.00 O ATOM 579 CB GLU A 36 -3.258 -10.026 -3.194 1.00 0.87 C ATOM 580 CG GLU A 36 -4.197 -10.938 -2.399 1.00 0.95 C ATOM 581 CD GLU A 36 -5.406 -11.392 -3.195 1.00 1.48 C ATOM 582 OE1 GLU A 36 -6.216 -10.510 -3.541 1.00 2.38 O ATOM 583 OE2 GLU A 36 -5.741 -12.595 -3.142 1.00 2.31 O ATOM 0 H GLU A 36 -2.088 -8.229 -4.407 1.00 0.78 H new ATOM 0 HA GLU A 36 -4.737 -8.523 -3.542 1.00 0.84 H new ATOM 0 HB2 GLU A 36 -3.214 -10.364 -4.229 1.00 0.87 H new ATOM 0 HB3 GLU A 36 -2.248 -10.103 -2.790 1.00 0.87 H new ATOM 0 HG2 GLU A 36 -3.643 -11.814 -2.062 1.00 0.95 H new ATOM 0 HG3 GLU A 36 -4.535 -10.411 -1.506 1.00 0.95 H new ATOM 590 N LEU A 37 -2.587 -7.785 -1.062 1.00 0.73 N ATOM 591 CA LEU A 37 -2.503 -7.277 0.319 1.00 0.81 C ATOM 592 C LEU A 37 -3.346 -6.004 0.519 1.00 0.82 C ATOM 593 O LEU A 37 -4.128 -5.910 1.466 1.00 0.92 O ATOM 594 CB LEU A 37 -1.010 -7.128 0.727 1.00 0.84 C ATOM 595 CG LEU A 37 -0.642 -6.077 1.805 1.00 0.92 C ATOM 596 CD1 LEU A 37 -1.320 -6.275 3.170 1.00 1.51 C ATOM 597 CD2 LEU A 37 0.880 -6.054 2.052 1.00 1.35 C ATOM 0 H LEU A 37 -1.676 -7.970 -1.481 1.00 0.73 H new ATOM 0 HA LEU A 37 -2.949 -8.001 1.001 1.00 0.81 H new ATOM 0 HB2 LEU A 37 -0.663 -8.100 1.079 1.00 0.84 H new ATOM 0 HB3 LEU A 37 -0.442 -6.893 -0.173 1.00 0.84 H new ATOM 0 HG LEU A 37 -1.007 -5.139 1.387 1.00 0.92 H new ATOM 0 HD11 LEU A 37 -0.998 -5.490 3.854 1.00 1.51 H new ATOM 0 HD12 LEU A 37 -2.402 -6.229 3.049 1.00 1.51 H new ATOM 0 HD13 LEU A 37 -1.042 -7.247 3.577 1.00 1.51 H new ATOM 0 HD21 LEU A 37 1.114 -5.309 2.812 1.00 1.35 H new ATOM 0 HD22 LEU A 37 1.208 -7.036 2.393 1.00 1.35 H new ATOM 0 HD23 LEU A 37 1.395 -5.801 1.125 1.00 1.35 H new ATOM 609 N ILE A 38 -3.247 -5.053 -0.410 1.00 0.76 N ATOM 610 CA ILE A 38 -4.012 -3.789 -0.425 1.00 0.85 C ATOM 611 C ILE A 38 -5.534 -3.989 -0.552 1.00 0.98 C ATOM 612 O ILE A 38 -6.288 -3.186 -0.011 1.00 1.19 O ATOM 613 CB ILE A 38 -3.420 -2.874 -1.526 1.00 0.81 C ATOM 614 CG1 ILE A 38 -1.980 -2.465 -1.128 1.00 0.79 C ATOM 615 CG2 ILE A 38 -4.280 -1.622 -1.792 1.00 1.00 C ATOM 616 CD1 ILE A 38 -1.201 -1.771 -2.243 1.00 0.85 C ATOM 0 H ILE A 38 -2.612 -5.137 -1.204 1.00 0.76 H new ATOM 0 HA ILE A 38 -3.903 -3.301 0.543 1.00 0.85 H new ATOM 0 HB ILE A 38 -3.408 -3.442 -2.456 1.00 0.81 H new ATOM 0 HG12 ILE A 38 -2.027 -1.802 -0.264 1.00 0.79 H new ATOM 0 HG13 ILE A 38 -1.433 -3.355 -0.817 1.00 0.79 H new ATOM 0 HG21 ILE A 38 -3.815 -1.020 -2.573 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.276 -1.926 -2.114 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.358 -1.033 -0.878 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -0.203 -1.517 -1.886 1.00 0.85 H new ATOM 0 HD12 ILE A 38 -1.120 -2.439 -3.100 1.00 0.85 H new ATOM 0 HD13 ILE A 38 -1.723 -0.861 -2.540 1.00 0.85 H new ATOM 628 N LYS A 39 -6.015 -5.034 -1.225 1.00 1.00 N ATOM 629 CA LYS A 39 -7.432 -5.435 -1.231 1.00 1.12 C ATOM 630 C LYS A 39 -7.842 -6.368 -0.066 1.00 1.13 C ATOM 631 O LYS A 39 -9.028 -6.662 0.091 1.00 1.32 O ATOM 632 CB LYS A 39 -7.718 -6.083 -2.602 1.00 1.17 C ATOM 633 CG LYS A 39 -8.325 -5.114 -3.626 1.00 1.43 C ATOM 634 CD LYS A 39 -7.511 -3.844 -3.922 1.00 2.54 C ATOM 635 CE LYS A 39 -8.226 -2.906 -4.918 1.00 3.60 C ATOM 636 NZ LYS A 39 -8.267 -3.425 -6.310 1.00 5.26 N ATOM 0 H LYS A 39 -5.424 -5.640 -1.794 1.00 1.00 H new ATOM 0 HA LYS A 39 -8.040 -4.544 -1.075 1.00 1.12 H new ATOM 0 HB2 LYS A 39 -6.789 -6.488 -3.004 1.00 1.17 H new ATOM 0 HB3 LYS A 39 -8.398 -6.923 -2.462 1.00 1.17 H new ATOM 0 HG2 LYS A 39 -8.473 -5.653 -4.562 1.00 1.43 H new ATOM 0 HG3 LYS A 39 -9.311 -4.814 -3.272 1.00 1.43 H new ATOM 0 HD2 LYS A 39 -7.327 -3.308 -2.991 1.00 2.54 H new ATOM 0 HD3 LYS A 39 -6.538 -4.125 -4.326 1.00 2.54 H new ATOM 0 HE2 LYS A 39 -9.246 -2.736 -4.574 1.00 3.60 H new ATOM 0 HE3 LYS A 39 -7.724 -1.939 -4.916 1.00 3.60 H new ATOM 0 HZ1 LYS A 39 -8.861 -2.804 -6.895 1.00 5.26 H new ATOM 0 HZ2 LYS A 39 -7.303 -3.450 -6.700 1.00 5.26 H new ATOM 0 HZ3 LYS A 39 -8.665 -4.386 -6.311 1.00 5.26 H new ATOM 650 N LYS A 40 -6.891 -6.881 0.726 1.00 1.02 N ATOM 651 CA LYS A 40 -7.121 -7.850 1.815 1.00 1.15 C ATOM 652 C LYS A 40 -7.178 -7.195 3.196 1.00 1.25 C ATOM 653 O LYS A 40 -8.085 -7.465 3.980 1.00 1.48 O ATOM 654 CB LYS A 40 -5.971 -8.872 1.813 1.00 1.10 C ATOM 655 CG LYS A 40 -5.970 -9.800 0.609 1.00 1.46 C ATOM 656 CD LYS A 40 -6.802 -11.028 0.921 1.00 1.20 C ATOM 657 CE LYS A 40 -6.841 -12.007 -0.244 1.00 1.78 C ATOM 658 NZ LYS A 40 -7.631 -11.550 -1.420 1.00 2.28 N ATOM 0 H LYS A 40 -5.908 -6.627 0.626 1.00 1.02 H new ATOM 0 HA LYS A 40 -8.088 -8.319 1.632 1.00 1.15 H new ATOM 0 HB2 LYS A 40 -5.022 -8.336 1.846 1.00 1.10 H new ATOM 0 HB3 LYS A 40 -6.030 -9.472 2.721 1.00 1.10 H new ATOM 0 HG2 LYS A 40 -6.375 -9.284 -0.262 1.00 1.46 H new ATOM 0 HG3 LYS A 40 -4.949 -10.092 0.361 1.00 1.46 H new ATOM 0 HD2 LYS A 40 -6.394 -11.528 1.800 1.00 1.20 H new ATOM 0 HD3 LYS A 40 -7.818 -10.723 1.171 1.00 1.20 H new ATOM 0 HE2 LYS A 40 -5.819 -12.207 -0.566 1.00 1.78 H new ATOM 0 HE3 LYS A 40 -7.254 -12.952 0.108 1.00 1.78 H new ATOM 0 HZ1 LYS A 40 -7.364 -12.108 -2.256 1.00 2.28 H new ATOM 0 HZ2 LYS A 40 -8.645 -11.678 -1.228 1.00 2.28 H new ATOM 0 HZ3 LYS A 40 -7.437 -10.544 -1.599 1.00 2.28 H new ATOM 672 N GLU A 41 -6.170 -6.376 3.498 1.00 1.15 N ATOM 673 CA GLU A 41 -5.976 -5.692 4.788 1.00 1.26 C ATOM 674 C GLU A 41 -6.384 -4.203 4.766 1.00 1.24 C ATOM 675 O GLU A 41 -5.935 -3.416 5.603 1.00 1.49 O ATOM 676 CB GLU A 41 -4.548 -5.918 5.337 1.00 1.41 C ATOM 677 CG GLU A 41 -4.200 -7.417 5.439 1.00 2.42 C ATOM 678 CD GLU A 41 -3.108 -7.776 6.456 1.00 3.25 C ATOM 679 OE1 GLU A 41 -2.455 -6.873 7.022 1.00 3.61 O ATOM 680 OE2 GLU A 41 -2.939 -8.993 6.706 1.00 4.47 O ATOM 0 H GLU A 41 -5.433 -6.159 2.827 1.00 1.15 H new ATOM 0 HA GLU A 41 -6.668 -6.156 5.490 1.00 1.26 H new ATOM 0 HB2 GLU A 41 -3.827 -5.422 4.688 1.00 1.41 H new ATOM 0 HB3 GLU A 41 -4.461 -5.458 6.321 1.00 1.41 H new ATOM 0 HG2 GLU A 41 -5.106 -7.965 5.697 1.00 2.42 H new ATOM 0 HG3 GLU A 41 -3.885 -7.766 4.456 1.00 2.42 H new ATOM 687 N LEU A 42 -7.279 -3.806 3.853 1.00 1.52 N ATOM 688 CA LEU A 42 -7.956 -2.508 3.817 1.00 1.42 C ATOM 689 C LEU A 42 -9.294 -2.652 3.075 1.00 1.46 C ATOM 690 O LEU A 42 -9.390 -3.435 2.130 1.00 1.72 O ATOM 691 CB LEU A 42 -7.036 -1.459 3.145 1.00 1.35 C ATOM 692 CG LEU A 42 -6.578 -0.329 4.088 1.00 1.24 C ATOM 693 CD1 LEU A 42 -5.533 0.546 3.380 1.00 1.53 C ATOM 694 CD2 LEU A 42 -7.763 0.542 4.530 1.00 1.99 C ATOM 0 H LEU A 42 -7.563 -4.412 3.083 1.00 1.52 H new ATOM 0 HA LEU A 42 -8.167 -2.164 4.830 1.00 1.42 H new ATOM 0 HB2 LEU A 42 -6.156 -1.965 2.747 1.00 1.35 H new ATOM 0 HB3 LEU A 42 -7.562 -1.020 2.297 1.00 1.35 H new ATOM 0 HG LEU A 42 -6.139 -0.785 4.975 1.00 1.24 H new ATOM 0 HD11 LEU A 42 -5.212 1.344 4.050 1.00 1.53 H new ATOM 0 HD12 LEU A 42 -4.673 -0.065 3.105 1.00 1.53 H new ATOM 0 HD13 LEU A 42 -5.971 0.981 2.482 1.00 1.53 H new ATOM 0 HD21 LEU A 42 -7.408 1.330 5.194 1.00 1.99 H new ATOM 0 HD22 LEU A 42 -8.232 0.990 3.654 1.00 1.99 H new ATOM 0 HD23 LEU A 42 -8.492 -0.075 5.056 1.00 1.99 H new ATOM 706 N CYS A 43 -10.331 -1.915 3.486 1.00 1.61 N ATOM 707 CA CYS A 43 -11.668 -1.970 2.877 1.00 1.79 C ATOM 708 C CYS A 43 -12.081 -0.629 2.284 1.00 2.09 C ATOM 709 O CYS A 43 -12.341 -0.518 1.080 1.00 3.13 O ATOM 710 CB CYS A 43 -12.647 -2.502 3.937 1.00 2.16 C ATOM 711 SG CYS A 43 -14.322 -2.599 3.244 1.00 2.99 S ATOM 0 H CYS A 43 -10.267 -1.255 4.261 1.00 1.61 H new ATOM 0 HA CYS A 43 -11.670 -2.651 2.026 1.00 1.79 H new ATOM 0 HB2 CYS A 43 -12.328 -3.487 4.277 1.00 2.16 H new ATOM 0 HB3 CYS A 43 -12.643 -1.848 4.809 1.00 2.16 H new ATOM 0 HG CYS A 43 -15.140 -3.051 4.148 1.00 2.99 H new ATOM 717 N LEU A 44 -12.095 0.403 3.113 1.00 2.58 N ATOM 718 CA LEU A 44 -12.138 1.801 2.749 1.00 3.11 C ATOM 719 C LEU A 44 -13.490 2.279 2.193 1.00 4.05 C ATOM 720 O LEU A 44 -13.518 3.179 1.351 1.00 4.60 O ATOM 721 CB LEU A 44 -10.923 2.130 1.868 1.00 2.99 C ATOM 722 CG LEU A 44 -10.568 3.616 2.027 1.00 3.22 C ATOM 723 CD1 LEU A 44 -9.392 3.783 2.994 1.00 3.79 C ATOM 724 CD2 LEU A 44 -10.317 4.227 0.647 1.00 3.52 C ATOM 0 H LEU A 44 -12.075 0.272 4.124 1.00 2.58 H new ATOM 0 HA LEU A 44 -12.060 2.392 3.662 1.00 3.11 H new ATOM 0 HB2 LEU A 44 -10.074 1.509 2.153 1.00 2.99 H new ATOM 0 HB3 LEU A 44 -11.145 1.907 0.824 1.00 2.99 H new ATOM 0 HG LEU A 44 -11.401 4.161 2.472 1.00 3.22 H new ATOM 0 HD11 LEU A 44 -9.152 4.841 3.096 1.00 3.79 H new ATOM 0 HD12 LEU A 44 -9.662 3.376 3.969 1.00 3.79 H new ATOM 0 HD13 LEU A 44 -8.524 3.250 2.606 1.00 3.79 H new ATOM 0 HD21 LEU A 44 -10.065 5.282 0.756 1.00 3.52 H new ATOM 0 HD22 LEU A 44 -9.492 3.705 0.163 1.00 3.52 H new ATOM 0 HD23 LEU A 44 -11.215 4.130 0.037 1.00 3.52 H new ATOM 736 N GLY A 45 -14.583 1.588 2.542 1.00 4.52 N ATOM 737 CA GLY A 45 -15.954 1.702 2.050 1.00 5.32 C ATOM 738 C GLY A 45 -16.028 2.056 0.579 1.00 4.25 C ATOM 739 O GLY A 45 -15.996 1.210 -0.311 1.00 4.15 O ATOM 0 H GLY A 45 -14.516 0.859 3.252 1.00 4.52 H new ATOM 0 HA2 GLY A 45 -16.474 0.759 2.218 1.00 5.32 H new ATOM 0 HA3 GLY A 45 -16.479 2.462 2.628 1.00 5.32 H new ATOM 742 N GLU A 46 -16.077 3.358 0.362 1.00 4.18 N ATOM 743 CA GLU A 46 -16.871 3.969 -0.681 1.00 4.35 C ATOM 744 C GLU A 46 -16.269 5.307 -1.168 1.00 4.12 C ATOM 745 O GLU A 46 -16.573 5.759 -2.260 1.00 4.67 O ATOM 746 CB GLU A 46 -18.264 4.077 -0.032 1.00 5.76 C ATOM 747 CG GLU A 46 -18.347 5.083 1.127 1.00 6.91 C ATOM 748 CD GLU A 46 -19.574 4.792 1.989 1.00 8.39 C ATOM 749 OE1 GLU A 46 -19.429 3.900 2.854 1.00 8.48 O ATOM 750 OE2 GLU A 46 -20.617 5.439 1.769 1.00 9.85 O ATOM 0 H GLU A 46 -15.553 4.032 0.920 1.00 4.18 H new ATOM 0 HA GLU A 46 -16.909 3.395 -1.607 1.00 4.35 H new ATOM 0 HB2 GLU A 46 -18.987 4.361 -0.797 1.00 5.76 H new ATOM 0 HB3 GLU A 46 -18.558 3.094 0.335 1.00 5.76 H new ATOM 0 HG2 GLU A 46 -17.444 5.024 1.735 1.00 6.91 H new ATOM 0 HG3 GLU A 46 -18.402 6.098 0.734 1.00 6.91 H new ATOM 757 N MET A 47 -15.323 5.889 -0.418 1.00 3.74 N ATOM 758 CA MET A 47 -14.741 7.228 -0.641 1.00 3.80 C ATOM 759 C MET A 47 -13.782 7.376 -1.838 1.00 3.33 C ATOM 760 O MET A 47 -13.215 8.439 -2.061 1.00 4.31 O ATOM 761 CB MET A 47 -14.031 7.657 0.647 1.00 4.09 C ATOM 762 CG MET A 47 -12.798 6.800 0.973 1.00 3.88 C ATOM 763 SD MET A 47 -12.108 7.138 2.607 1.00 3.66 S ATOM 764 CE MET A 47 -13.243 6.132 3.597 1.00 3.22 C ATOM 0 H MET A 47 -14.923 5.423 0.396 1.00 3.74 H new ATOM 0 HA MET A 47 -15.581 7.872 -0.902 1.00 3.80 H new ATOM 0 HB2 MET A 47 -13.727 8.700 0.557 1.00 4.09 H new ATOM 0 HB3 MET A 47 -14.734 7.601 1.478 1.00 4.09 H new ATOM 0 HG2 MET A 47 -13.070 5.746 0.911 1.00 3.88 H new ATOM 0 HG3 MET A 47 -12.031 6.976 0.219 1.00 3.88 H new ATOM 0 HE1 MET A 47 -13.675 6.744 4.389 1.00 3.22 H new ATOM 0 HE2 MET A 47 -14.040 5.748 2.960 1.00 3.22 H new ATOM 0 HE3 MET A 47 -12.698 5.298 4.039 1.00 3.22 H new ATOM 774 N LYS A 48 -13.512 6.285 -2.552 1.00 2.34 N ATOM 775 CA LYS A 48 -12.513 6.191 -3.620 1.00 1.99 C ATOM 776 C LYS A 48 -13.092 6.487 -5.018 1.00 2.71 C ATOM 777 O LYS A 48 -14.207 6.079 -5.339 1.00 3.60 O ATOM 778 CB LYS A 48 -11.816 4.814 -3.593 1.00 2.14 C ATOM 779 CG LYS A 48 -12.742 3.598 -3.801 1.00 3.94 C ATOM 780 CD LYS A 48 -13.357 3.088 -2.492 1.00 4.99 C ATOM 781 CE LYS A 48 -12.560 1.893 -1.967 1.00 6.40 C ATOM 782 NZ LYS A 48 -13.222 1.312 -0.780 1.00 8.08 N ATOM 0 H LYS A 48 -14.003 5.404 -2.397 1.00 2.34 H new ATOM 0 HA LYS A 48 -11.773 6.967 -3.424 1.00 1.99 H new ATOM 0 HB2 LYS A 48 -11.047 4.800 -4.366 1.00 2.14 H new ATOM 0 HB3 LYS A 48 -11.307 4.702 -2.635 1.00 2.14 H new ATOM 0 HG2 LYS A 48 -13.541 3.869 -4.491 1.00 3.94 H new ATOM 0 HG3 LYS A 48 -12.176 2.792 -4.269 1.00 3.94 H new ATOM 0 HD2 LYS A 48 -13.363 3.886 -1.749 1.00 4.99 H new ATOM 0 HD3 LYS A 48 -14.395 2.798 -2.657 1.00 4.99 H new ATOM 0 HE2 LYS A 48 -12.470 1.137 -2.747 1.00 6.40 H new ATOM 0 HE3 LYS A 48 -11.549 2.207 -1.709 1.00 6.40 H new ATOM 0 HZ1 LYS A 48 -12.554 0.693 -0.278 1.00 8.08 H new ATOM 0 HZ2 LYS A 48 -13.530 2.076 -0.145 1.00 8.08 H new ATOM 0 HZ3 LYS A 48 -14.049 0.757 -1.080 1.00 8.08 H new ATOM 796 N GLU A 49 -12.287 7.085 -5.891 1.00 3.22 N ATOM 797 CA GLU A 49 -12.494 6.918 -7.328 1.00 3.69 C ATOM 798 C GLU A 49 -11.988 5.546 -7.799 1.00 2.38 C ATOM 799 O GLU A 49 -11.085 4.954 -7.210 1.00 2.72 O ATOM 800 CB GLU A 49 -11.794 8.026 -8.128 1.00 5.36 C ATOM 801 CG GLU A 49 -12.563 9.350 -8.091 1.00 6.24 C ATOM 802 CD GLU A 49 -12.107 10.209 -9.264 1.00 7.08 C ATOM 803 OE1 GLU A 49 -11.063 10.869 -9.105 1.00 7.96 O ATOM 804 OE2 GLU A 49 -12.759 10.101 -10.328 1.00 7.21 O ATOM 0 H GLU A 49 -11.498 7.680 -5.637 1.00 3.22 H new ATOM 0 HA GLU A 49 -13.567 6.984 -7.508 1.00 3.69 H new ATOM 0 HB2 GLU A 49 -10.792 8.180 -7.729 1.00 5.36 H new ATOM 0 HB3 GLU A 49 -11.679 7.705 -9.163 1.00 5.36 H new ATOM 0 HG2 GLU A 49 -13.636 9.166 -8.151 1.00 6.24 H new ATOM 0 HG3 GLU A 49 -12.380 9.868 -7.149 1.00 6.24 H new ATOM 811 N SER A 50 -12.481 5.094 -8.951 1.00 1.91 N ATOM 812 CA SER A 50 -11.891 3.972 -9.706 1.00 2.00 C ATOM 813 C SER A 50 -10.419 4.211 -10.095 1.00 2.14 C ATOM 814 O SER A 50 -9.741 3.273 -10.500 1.00 3.42 O ATOM 815 CB SER A 50 -12.735 3.726 -10.965 1.00 2.92 C ATOM 816 OG SER A 50 -12.452 2.463 -11.527 1.00 4.21 O ATOM 0 H SER A 50 -13.307 5.494 -9.396 1.00 1.91 H new ATOM 0 HA SER A 50 -11.897 3.097 -9.056 1.00 2.00 H new ATOM 0 HB2 SER A 50 -13.794 3.787 -10.714 1.00 2.92 H new ATOM 0 HB3 SER A 50 -12.536 4.507 -11.699 1.00 2.92 H new ATOM 0 HG SER A 50 -11.482 2.321 -11.541 1.00 4.21 H new ATOM 822 N SER A 51 -9.880 5.425 -9.921 1.00 1.75 N ATOM 823 CA SER A 51 -8.447 5.702 -10.078 1.00 1.91 C ATOM 824 C SER A 51 -7.559 4.877 -9.128 1.00 1.61 C ATOM 825 O SER A 51 -6.386 4.676 -9.440 1.00 1.85 O ATOM 826 CB SER A 51 -8.167 7.192 -9.854 1.00 2.40 C ATOM 827 OG SER A 51 -6.812 7.480 -10.149 1.00 3.42 O ATOM 0 H SER A 51 -10.429 6.246 -9.666 1.00 1.75 H new ATOM 0 HA SER A 51 -8.193 5.412 -11.097 1.00 1.91 H new ATOM 0 HB2 SER A 51 -8.821 7.792 -10.486 1.00 2.40 H new ATOM 0 HB3 SER A 51 -8.388 7.461 -8.821 1.00 2.40 H new ATOM 0 HG SER A 51 -6.642 8.434 -10.005 1.00 3.42 H new ATOM 833 N ILE A 52 -8.075 4.367 -7.997 1.00 1.35 N ATOM 834 CA ILE A 52 -7.307 3.436 -7.137 1.00 1.24 C ATOM 835 C ILE A 52 -7.043 2.097 -7.819 1.00 1.08 C ATOM 836 O ILE A 52 -6.055 1.424 -7.523 1.00 1.16 O ATOM 837 CB ILE A 52 -7.986 3.222 -5.765 1.00 1.46 C ATOM 838 CG1 ILE A 52 -9.288 2.389 -5.787 1.00 1.83 C ATOM 839 CG2 ILE A 52 -8.216 4.580 -5.083 1.00 1.96 C ATOM 840 CD1 ILE A 52 -9.047 0.890 -5.531 1.00 1.81 C ATOM 0 H ILE A 52 -9.012 4.578 -7.655 1.00 1.35 H new ATOM 0 HA ILE A 52 -6.342 3.913 -6.965 1.00 1.24 H new ATOM 0 HB ILE A 52 -7.290 2.613 -5.188 1.00 1.46 H new ATOM 0 HG12 ILE A 52 -9.973 2.775 -5.032 1.00 1.83 H new ATOM 0 HG13 ILE A 52 -9.776 2.513 -6.754 1.00 1.83 H new ATOM 0 HG21 ILE A 52 -8.695 4.425 -4.116 1.00 1.96 H new ATOM 0 HG22 ILE A 52 -7.259 5.081 -4.938 1.00 1.96 H new ATOM 0 HG23 ILE A 52 -8.858 5.198 -5.711 1.00 1.96 H new ATOM 0 HD11 ILE A 52 -9.998 0.359 -5.559 1.00 1.81 H new ATOM 0 HD12 ILE A 52 -8.386 0.491 -6.300 1.00 1.81 H new ATOM 0 HD13 ILE A 52 -8.586 0.758 -4.552 1.00 1.81 H new ATOM 852 N ASP A 53 -7.931 1.714 -8.730 1.00 1.09 N ATOM 853 CA ASP A 53 -7.825 0.497 -9.517 1.00 1.23 C ATOM 854 C ASP A 53 -7.152 0.757 -10.873 1.00 0.96 C ATOM 855 O ASP A 53 -6.678 -0.184 -11.507 1.00 0.95 O ATOM 856 CB ASP A 53 -9.194 -0.204 -9.569 1.00 1.93 C ATOM 857 CG ASP A 53 -9.171 -1.458 -8.675 1.00 3.25 C ATOM 858 OD1 ASP A 53 -8.434 -2.430 -8.959 1.00 4.25 O ATOM 859 OD2 ASP A 53 -9.774 -1.437 -7.581 1.00 4.10 O ATOM 0 H ASP A 53 -8.766 2.259 -8.945 1.00 1.09 H new ATOM 0 HA ASP A 53 -7.151 -0.211 -9.035 1.00 1.23 H new ATOM 0 HB2 ASP A 53 -9.975 0.478 -9.234 1.00 1.93 H new ATOM 0 HB3 ASP A 53 -9.432 -0.482 -10.596 1.00 1.93 H new ATOM 864 N ASP A 54 -6.960 2.030 -11.265 1.00 1.03 N ATOM 865 CA ASP A 54 -5.924 2.354 -12.249 1.00 1.09 C ATOM 866 C ASP A 54 -4.520 2.133 -11.663 1.00 0.92 C ATOM 867 O ASP A 54 -3.690 1.501 -12.320 1.00 0.96 O ATOM 868 CB ASP A 54 -6.072 3.763 -12.831 1.00 1.47 C ATOM 869 CG ASP A 54 -5.491 3.798 -14.251 1.00 1.96 C ATOM 870 OD1 ASP A 54 -4.303 3.452 -14.460 1.00 2.22 O ATOM 871 OD2 ASP A 54 -6.273 4.012 -15.203 1.00 3.05 O ATOM 0 H ASP A 54 -7.495 2.828 -10.923 1.00 1.03 H new ATOM 0 HA ASP A 54 -6.060 1.666 -13.083 1.00 1.09 H new ATOM 0 HB2 ASP A 54 -7.123 4.051 -12.850 1.00 1.47 H new ATOM 0 HB3 ASP A 54 -5.556 4.485 -12.198 1.00 1.47 H new ATOM 876 N LEU A 55 -4.256 2.540 -10.410 1.00 0.85 N ATOM 877 CA LEU A 55 -2.982 2.223 -9.735 1.00 0.80 C ATOM 878 C LEU A 55 -2.718 0.704 -9.738 1.00 0.82 C ATOM 879 O LEU A 55 -1.650 0.262 -10.165 1.00 0.96 O ATOM 880 CB LEU A 55 -2.946 2.789 -8.300 1.00 0.76 C ATOM 881 CG LEU A 55 -3.105 4.313 -8.141 1.00 0.95 C ATOM 882 CD1 LEU A 55 -3.084 4.676 -6.649 1.00 1.16 C ATOM 883 CD2 LEU A 55 -2.008 5.091 -8.881 1.00 1.06 C ATOM 0 H LEU A 55 -4.904 3.088 -9.844 1.00 0.85 H new ATOM 0 HA LEU A 55 -2.183 2.706 -10.298 1.00 0.80 H new ATOM 0 HB2 LEU A 55 -3.736 2.305 -7.726 1.00 0.76 H new ATOM 0 HB3 LEU A 55 -1.999 2.499 -7.846 1.00 0.76 H new ATOM 0 HG LEU A 55 -4.060 4.596 -8.585 1.00 0.95 H new ATOM 0 HD11 LEU A 55 -3.196 5.754 -6.535 1.00 1.16 H new ATOM 0 HD12 LEU A 55 -3.904 4.170 -6.140 1.00 1.16 H new ATOM 0 HD13 LEU A 55 -2.136 4.362 -6.211 1.00 1.16 H new ATOM 0 HD21 LEU A 55 -2.162 6.161 -8.740 1.00 1.06 H new ATOM 0 HD22 LEU A 55 -1.032 4.810 -8.485 1.00 1.06 H new ATOM 0 HD23 LEU A 55 -2.049 4.856 -9.945 1.00 1.06 H new ATOM 895 N MET A 56 -3.716 -0.100 -9.352 1.00 0.82 N ATOM 896 CA MET A 56 -3.684 -1.579 -9.396 1.00 0.95 C ATOM 897 C MET A 56 -3.344 -2.109 -10.798 1.00 1.03 C ATOM 898 O MET A 56 -2.409 -2.906 -10.967 1.00 1.31 O ATOM 899 CB MET A 56 -5.063 -2.113 -8.968 1.00 1.03 C ATOM 900 CG MET A 56 -5.437 -1.802 -7.520 1.00 1.07 C ATOM 901 SD MET A 56 -5.007 -3.138 -6.390 1.00 1.55 S ATOM 902 CE MET A 56 -3.644 -2.323 -5.558 1.00 1.94 C ATOM 0 H MET A 56 -4.597 0.265 -8.989 1.00 0.82 H new ATOM 0 HA MET A 56 -2.903 -1.924 -8.718 1.00 0.95 H new ATOM 0 HB2 MET A 56 -5.823 -1.691 -9.626 1.00 1.03 H new ATOM 0 HB3 MET A 56 -5.082 -3.193 -9.112 1.00 1.03 H new ATOM 0 HG2 MET A 56 -4.931 -0.889 -7.206 1.00 1.07 H new ATOM 0 HG3 MET A 56 -6.508 -1.610 -7.459 1.00 1.07 H new ATOM 0 HE1 MET A 56 -3.319 -2.929 -4.713 1.00 1.94 H new ATOM 0 HE2 MET A 56 -2.815 -2.198 -6.255 1.00 1.94 H new ATOM 0 HE3 MET A 56 -3.968 -1.346 -5.200 1.00 1.94 H new ATOM 912 N LYS A 57 -4.058 -1.632 -11.821 1.00 0.92 N ATOM 913 CA LYS A 57 -3.834 -1.941 -13.238 1.00 1.04 C ATOM 914 C LYS A 57 -2.478 -1.422 -13.758 1.00 1.13 C ATOM 915 O LYS A 57 -1.875 -2.015 -14.648 1.00 1.31 O ATOM 916 CB LYS A 57 -5.072 -1.433 -13.990 1.00 1.17 C ATOM 917 CG LYS A 57 -5.035 -1.625 -15.514 1.00 1.90 C ATOM 918 CD LYS A 57 -4.542 -0.357 -16.220 1.00 3.63 C ATOM 919 CE LYS A 57 -5.629 0.725 -16.154 1.00 4.77 C ATOM 920 NZ LYS A 57 -5.164 2.044 -16.646 1.00 6.84 N ATOM 0 H LYS A 57 -4.841 -0.993 -11.680 1.00 0.92 H new ATOM 0 HA LYS A 57 -3.736 -3.013 -13.407 1.00 1.04 H new ATOM 0 HB2 LYS A 57 -5.951 -1.943 -13.597 1.00 1.17 H new ATOM 0 HB3 LYS A 57 -5.197 -0.372 -13.776 1.00 1.17 H new ATOM 0 HG2 LYS A 57 -4.381 -2.461 -15.762 1.00 1.90 H new ATOM 0 HG3 LYS A 57 -6.031 -1.882 -15.875 1.00 1.90 H new ATOM 0 HD2 LYS A 57 -3.628 0.002 -15.747 1.00 3.63 H new ATOM 0 HD3 LYS A 57 -4.298 -0.579 -17.259 1.00 3.63 H new ATOM 0 HE2 LYS A 57 -6.488 0.406 -16.744 1.00 4.77 H new ATOM 0 HE3 LYS A 57 -5.970 0.827 -15.124 1.00 4.77 H new ATOM 0 HZ1 LYS A 57 -5.911 2.752 -16.499 1.00 6.84 H new ATOM 0 HZ2 LYS A 57 -4.310 2.328 -16.124 1.00 6.84 H new ATOM 0 HZ3 LYS A 57 -4.944 1.978 -17.660 1.00 6.84 H new ATOM 934 N SER A 58 -1.911 -0.375 -13.166 1.00 1.08 N ATOM 935 CA SER A 58 -0.607 0.198 -13.519 1.00 1.29 C ATOM 936 C SER A 58 0.596 -0.625 -13.023 1.00 1.47 C ATOM 937 O SER A 58 1.689 -0.484 -13.576 1.00 1.81 O ATOM 938 CB SER A 58 -0.538 1.654 -13.033 1.00 1.30 C ATOM 939 OG SER A 58 0.417 2.414 -13.762 1.00 1.71 O ATOM 0 H SER A 58 -2.361 0.120 -12.396 1.00 1.08 H new ATOM 0 HA SER A 58 -0.530 0.170 -14.606 1.00 1.29 H new ATOM 0 HB2 SER A 58 -1.520 2.116 -13.131 1.00 1.30 H new ATOM 0 HB3 SER A 58 -0.282 1.671 -11.974 1.00 1.30 H new ATOM 0 HG SER A 58 0.430 3.334 -13.424 1.00 1.71 H new ATOM 945 N LEU A 59 0.391 -1.533 -12.057 1.00 1.40 N ATOM 946 CA LEU A 59 1.367 -2.571 -11.699 1.00 1.66 C ATOM 947 C LEU A 59 1.267 -3.742 -12.681 1.00 1.81 C ATOM 948 O LEU A 59 2.290 -4.282 -13.100 1.00 1.97 O ATOM 949 CB LEU A 59 1.102 -3.057 -10.260 1.00 1.69 C ATOM 950 CG LEU A 59 1.263 -2.004 -9.149 1.00 1.59 C ATOM 951 CD1 LEU A 59 0.905 -2.649 -7.800 1.00 1.66 C ATOM 952 CD2 LEU A 59 2.680 -1.417 -9.100 1.00 1.68 C ATOM 0 H LEU A 59 -0.462 -1.567 -11.499 1.00 1.40 H new ATOM 0 HA LEU A 59 2.373 -2.155 -11.753 1.00 1.66 H new ATOM 0 HB2 LEU A 59 0.088 -3.453 -10.213 1.00 1.69 H new ATOM 0 HB3 LEU A 59 1.778 -3.886 -10.048 1.00 1.69 H new ATOM 0 HG LEU A 59 0.589 -1.175 -9.365 1.00 1.59 H new ATOM 0 HD11 LEU A 59 1.015 -1.913 -7.004 1.00 1.66 H new ATOM 0 HD12 LEU A 59 -0.126 -3.002 -7.828 1.00 1.66 H new ATOM 0 HD13 LEU A 59 1.572 -3.490 -7.611 1.00 1.66 H new ATOM 0 HD21 LEU A 59 2.741 -0.680 -8.300 1.00 1.68 H new ATOM 0 HD22 LEU A 59 3.398 -2.215 -8.913 1.00 1.68 H new ATOM 0 HD23 LEU A 59 2.909 -0.939 -10.052 1.00 1.68 H new ATOM 964 N ASP A 60 0.030 -4.109 -13.050 1.00 1.76 N ATOM 965 CA ASP A 60 -0.324 -5.190 -13.991 1.00 1.90 C ATOM 966 C ASP A 60 0.105 -4.933 -15.443 1.00 1.97 C ATOM 967 O ASP A 60 0.169 -5.854 -16.246 1.00 2.22 O ATOM 968 CB ASP A 60 -1.817 -5.541 -13.861 1.00 1.80 C ATOM 969 CG ASP A 60 -2.065 -6.926 -13.226 1.00 2.03 C ATOM 970 OD1 ASP A 60 -1.336 -7.909 -13.508 1.00 3.05 O ATOM 971 OD2 ASP A 60 -2.829 -6.954 -12.242 1.00 2.40 O ATOM 0 H ASP A 60 -0.796 -3.637 -12.682 1.00 1.76 H new ATOM 0 HA ASP A 60 0.262 -6.062 -13.701 1.00 1.90 H new ATOM 0 HB2 ASP A 60 -2.311 -4.779 -13.258 1.00 1.80 H new ATOM 0 HB3 ASP A 60 -2.277 -5.514 -14.849 1.00 1.80 H new ATOM 976 N LYS A 61 0.552 -3.710 -15.720 1.00 1.88 N ATOM 977 CA LYS A 61 1.551 -3.368 -16.738 1.00 2.01 C ATOM 978 C LYS A 61 2.687 -4.411 -16.905 1.00 1.86 C ATOM 979 O LYS A 61 3.215 -4.550 -18.004 1.00 2.21 O ATOM 980 CB LYS A 61 2.120 -2.031 -16.230 1.00 1.99 C ATOM 981 CG LYS A 61 2.987 -1.213 -17.194 1.00 2.86 C ATOM 982 CD LYS A 61 2.253 -0.040 -17.861 1.00 3.32 C ATOM 983 CE LYS A 61 1.522 0.917 -16.900 1.00 3.72 C ATOM 984 NZ LYS A 61 2.302 1.281 -15.684 1.00 4.60 N ATOM 0 H LYS A 61 0.213 -2.889 -15.218 1.00 1.88 H new ATOM 0 HA LYS A 61 1.096 -3.328 -17.728 1.00 2.01 H new ATOM 0 HB2 LYS A 61 1.282 -1.406 -15.920 1.00 1.99 H new ATOM 0 HB3 LYS A 61 2.712 -2.236 -15.338 1.00 1.99 H new ATOM 0 HG2 LYS A 61 3.849 -0.826 -16.650 1.00 2.86 H new ATOM 0 HG3 LYS A 61 3.371 -1.875 -17.970 1.00 2.86 H new ATOM 0 HD2 LYS A 61 2.975 0.536 -18.440 1.00 3.32 H new ATOM 0 HD3 LYS A 61 1.527 -0.443 -18.567 1.00 3.32 H new ATOM 0 HE2 LYS A 61 1.266 1.829 -17.439 1.00 3.72 H new ATOM 0 HE3 LYS A 61 0.584 0.456 -16.591 1.00 3.72 H new ATOM 0 HZ1 LYS A 61 1.748 1.939 -15.100 1.00 4.60 H new ATOM 0 HZ2 LYS A 61 2.510 0.422 -15.135 1.00 4.60 H new ATOM 0 HZ3 LYS A 61 3.193 1.736 -15.967 1.00 4.60 H new ATOM 998 N ASN A 62 3.080 -5.097 -15.821 1.00 1.53 N ATOM 999 CA ASN A 62 4.167 -6.087 -15.774 1.00 1.57 C ATOM 1000 C ASN A 62 3.958 -7.136 -14.661 1.00 1.53 C ATOM 1001 O ASN A 62 4.033 -8.324 -14.919 1.00 2.28 O ATOM 1002 CB ASN A 62 5.499 -5.366 -15.524 1.00 1.73 C ATOM 1003 CG ASN A 62 5.817 -4.291 -16.545 1.00 1.98 C ATOM 1004 OD1 ASN A 62 5.602 -3.110 -16.288 1.00 2.42 O ATOM 1005 ND2 ASN A 62 6.265 -4.670 -17.727 1.00 2.66 N ATOM 0 H ASN A 62 2.630 -4.972 -14.914 1.00 1.53 H new ATOM 0 HA ASN A 62 4.174 -6.608 -16.732 1.00 1.57 H new ATOM 0 HB2 ASN A 62 5.476 -4.915 -14.532 1.00 1.73 H new ATOM 0 HB3 ASN A 62 6.304 -6.101 -15.522 1.00 1.73 H new ATOM 0 HD21 ASN A 62 6.441 -3.975 -18.453 1.00 2.66 H new ATOM 0 HD22 ASN A 62 6.436 -5.658 -17.915 1.00 2.66 H new ATOM 1012 N SER A 63 3.699 -6.681 -13.425 1.00 1.51 N ATOM 1013 CA SER A 63 3.038 -7.380 -12.303 1.00 1.55 C ATOM 1014 C SER A 63 3.819 -8.491 -11.600 1.00 1.33 C ATOM 1015 O SER A 63 3.826 -8.572 -10.372 1.00 1.56 O ATOM 1016 CB SER A 63 1.720 -7.991 -12.760 1.00 1.78 C ATOM 1017 OG SER A 63 0.651 -7.607 -11.909 1.00 2.69 O ATOM 0 H SER A 63 3.968 -5.734 -13.159 1.00 1.51 H new ATOM 0 HA SER A 63 2.925 -6.580 -11.571 1.00 1.55 H new ATOM 0 HB2 SER A 63 1.506 -7.676 -13.781 1.00 1.78 H new ATOM 0 HB3 SER A 63 1.805 -9.078 -12.773 1.00 1.78 H new ATOM 0 HG SER A 63 -0.193 -7.949 -12.270 1.00 2.69 H new ATOM 1023 N ASP A 64 4.456 -9.365 -12.362 1.00 1.11 N ATOM 1024 CA ASP A 64 4.915 -10.675 -11.926 1.00 1.20 C ATOM 1025 C ASP A 64 6.395 -10.562 -11.559 1.00 1.09 C ATOM 1026 O ASP A 64 7.224 -11.420 -11.857 1.00 1.44 O ATOM 1027 CB ASP A 64 4.565 -11.688 -13.028 1.00 1.56 C ATOM 1028 CG ASP A 64 3.038 -11.843 -13.162 1.00 2.41 C ATOM 1029 OD1 ASP A 64 2.444 -12.538 -12.312 1.00 2.97 O ATOM 1030 OD2 ASP A 64 2.407 -11.190 -14.029 1.00 3.51 O ATOM 0 H ASP A 64 4.676 -9.174 -13.340 1.00 1.11 H new ATOM 0 HA ASP A 64 4.422 -11.041 -11.025 1.00 1.20 H new ATOM 0 HB2 ASP A 64 4.987 -11.359 -13.978 1.00 1.56 H new ATOM 0 HB3 ASP A 64 5.014 -12.654 -12.797 1.00 1.56 H new ATOM 1035 N GLN A 65 6.737 -9.412 -10.973 1.00 1.01 N ATOM 1036 CA GLN A 65 8.091 -8.999 -10.672 1.00 0.95 C ATOM 1037 C GLN A 65 8.195 -8.762 -9.177 1.00 0.85 C ATOM 1038 O GLN A 65 7.223 -8.290 -8.583 1.00 0.78 O ATOM 1039 CB GLN A 65 8.414 -7.670 -11.374 1.00 1.05 C ATOM 1040 CG GLN A 65 7.521 -7.238 -12.551 1.00 1.46 C ATOM 1041 CD GLN A 65 7.893 -5.844 -13.040 1.00 2.05 C ATOM 1042 OE1 GLN A 65 7.152 -4.894 -12.871 1.00 2.74 O ATOM 1043 NE2 GLN A 65 9.030 -5.650 -13.676 1.00 2.70 N ATOM 0 H GLN A 65 6.042 -8.722 -10.687 1.00 1.01 H new ATOM 0 HA GLN A 65 8.782 -9.772 -11.009 1.00 0.95 H new ATOM 0 HB2 GLN A 65 8.383 -6.880 -10.624 1.00 1.05 H new ATOM 0 HB3 GLN A 65 9.441 -7.725 -11.736 1.00 1.05 H new ATOM 0 HG2 GLN A 65 7.621 -7.952 -13.368 1.00 1.46 H new ATOM 0 HG3 GLN A 65 6.476 -7.251 -12.242 1.00 1.46 H new ATOM 0 HE21 GLN A 65 9.668 -6.431 -13.830 1.00 2.70 H new ATOM 0 HE22 GLN A 65 9.273 -4.719 -14.015 1.00 2.70 H new ATOM 1052 N GLU A 66 9.371 -8.984 -8.592 1.00 1.03 N ATOM 1053 CA GLU A 66 9.584 -8.600 -7.206 1.00 1.02 C ATOM 1054 C GLU A 66 9.641 -7.081 -7.045 1.00 1.04 C ATOM 1055 O GLU A 66 10.228 -6.361 -7.860 1.00 1.23 O ATOM 1056 CB GLU A 66 10.876 -9.189 -6.636 1.00 1.08 C ATOM 1057 CG GLU A 66 10.912 -10.717 -6.569 1.00 1.16 C ATOM 1058 CD GLU A 66 12.319 -11.163 -6.185 1.00 1.53 C ATOM 1059 OE1 GLU A 66 12.661 -11.002 -4.987 1.00 2.23 O ATOM 1060 OE2 GLU A 66 13.049 -11.591 -7.102 1.00 2.41 O ATOM 0 H GLU A 66 10.173 -9.419 -9.048 1.00 1.03 H new ATOM 0 HA GLU A 66 8.732 -8.999 -6.655 1.00 1.02 H new ATOM 0 HB2 GLU A 66 11.713 -8.847 -7.244 1.00 1.08 H new ATOM 0 HB3 GLU A 66 11.027 -8.792 -5.632 1.00 1.08 H new ATOM 0 HG2 GLU A 66 10.189 -11.079 -5.838 1.00 1.16 H new ATOM 0 HG3 GLU A 66 10.632 -11.143 -7.532 1.00 1.16 H new ATOM 1067 N ILE A 67 9.073 -6.607 -5.944 1.00 0.93 N ATOM 1068 CA ILE A 67 9.227 -5.245 -5.446 1.00 0.97 C ATOM 1069 C ILE A 67 9.639 -5.233 -3.981 1.00 0.94 C ATOM 1070 O ILE A 67 9.380 -6.166 -3.221 1.00 0.92 O ATOM 1071 CB ILE A 67 7.943 -4.414 -5.653 1.00 0.92 C ATOM 1072 CG1 ILE A 67 6.648 -5.170 -5.292 1.00 1.43 C ATOM 1073 CG2 ILE A 67 7.914 -3.912 -7.093 1.00 1.91 C ATOM 1074 CD1 ILE A 67 5.391 -4.302 -5.384 1.00 1.47 C ATOM 0 H ILE A 67 8.471 -7.180 -5.352 1.00 0.93 H new ATOM 0 HA ILE A 67 10.024 -4.782 -6.028 1.00 0.97 H new ATOM 0 HB ILE A 67 7.975 -3.573 -4.960 1.00 0.92 H new ATOM 0 HG12 ILE A 67 6.539 -6.026 -5.958 1.00 1.43 H new ATOM 0 HG13 ILE A 67 6.736 -5.563 -4.279 1.00 1.43 H new ATOM 0 HG21 ILE A 67 7.012 -3.323 -7.255 1.00 1.91 H new ATOM 0 HG22 ILE A 67 8.791 -3.292 -7.280 1.00 1.91 H new ATOM 0 HG23 ILE A 67 7.919 -4.762 -7.775 1.00 1.91 H new ATOM 0 HD11 ILE A 67 4.518 -4.897 -5.117 1.00 1.47 H new ATOM 0 HD12 ILE A 67 5.480 -3.460 -4.698 1.00 1.47 H new ATOM 0 HD13 ILE A 67 5.279 -3.930 -6.403 1.00 1.47 H new ATOM 1086 N ASP A 68 10.263 -4.118 -3.600 1.00 1.01 N ATOM 1087 CA ASP A 68 10.593 -3.784 -2.222 1.00 1.02 C ATOM 1088 C ASP A 68 9.673 -2.666 -1.686 1.00 0.78 C ATOM 1089 O ASP A 68 8.712 -2.223 -2.330 1.00 1.06 O ATOM 1090 CB ASP A 68 12.095 -3.435 -2.116 1.00 1.49 C ATOM 1091 CG ASP A 68 12.435 -1.959 -2.345 1.00 1.34 C ATOM 1092 OD1 ASP A 68 11.776 -1.285 -3.169 1.00 1.71 O ATOM 1093 OD2 ASP A 68 13.352 -1.458 -1.650 1.00 2.41 O ATOM 0 H ASP A 68 10.560 -3.404 -4.265 1.00 1.01 H new ATOM 0 HA ASP A 68 10.414 -4.650 -1.584 1.00 1.02 H new ATOM 0 HB2 ASP A 68 12.451 -3.725 -1.127 1.00 1.49 H new ATOM 0 HB3 ASP A 68 12.644 -4.035 -2.841 1.00 1.49 H new ATOM 1098 N PHE A 69 10.023 -2.151 -0.509 1.00 0.61 N ATOM 1099 CA PHE A 69 9.334 -1.055 0.170 1.00 0.78 C ATOM 1100 C PHE A 69 9.157 0.252 -0.641 1.00 0.99 C ATOM 1101 O PHE A 69 8.385 1.114 -0.215 1.00 1.18 O ATOM 1102 CB PHE A 69 10.085 -0.745 1.465 1.00 1.03 C ATOM 1103 CG PHE A 69 10.226 -1.913 2.407 1.00 1.52 C ATOM 1104 CD1 PHE A 69 9.144 -2.269 3.227 1.00 1.95 C ATOM 1105 CD2 PHE A 69 11.426 -2.646 2.462 1.00 3.41 C ATOM 1106 CE1 PHE A 69 9.261 -3.353 4.105 1.00 3.27 C ATOM 1107 CE2 PHE A 69 11.542 -3.731 3.344 1.00 4.68 C ATOM 1108 CZ PHE A 69 10.458 -4.078 4.170 1.00 4.41 C ATOM 0 H PHE A 69 10.824 -2.499 0.018 1.00 0.61 H new ATOM 0 HA PHE A 69 8.318 -1.411 0.339 1.00 0.78 H new ATOM 0 HB2 PHE A 69 11.080 -0.377 1.213 1.00 1.03 H new ATOM 0 HB3 PHE A 69 9.569 0.062 1.984 1.00 1.03 H new ATOM 0 HD1 PHE A 69 8.223 -1.708 3.181 1.00 1.95 H new ATOM 0 HD2 PHE A 69 12.256 -2.374 1.827 1.00 3.41 H new ATOM 0 HE1 PHE A 69 8.427 -3.631 4.733 1.00 3.27 H new ATOM 0 HE2 PHE A 69 12.460 -4.298 3.388 1.00 4.68 H new ATOM 0 HZ PHE A 69 10.549 -4.906 4.857 1.00 4.41 H new ATOM 1118 N LYS A 70 9.854 0.472 -1.760 1.00 1.12 N ATOM 1119 CA LYS A 70 9.869 1.762 -2.460 1.00 1.37 C ATOM 1120 C LYS A 70 8.568 1.960 -3.224 1.00 1.18 C ATOM 1121 O LYS A 70 7.812 2.863 -2.869 1.00 1.08 O ATOM 1122 CB LYS A 70 11.081 1.809 -3.392 1.00 1.62 C ATOM 1123 CG LYS A 70 12.388 1.813 -2.615 1.00 2.43 C ATOM 1124 CD LYS A 70 13.540 1.646 -3.607 1.00 2.87 C ATOM 1125 CE LYS A 70 14.815 1.748 -2.792 1.00 3.49 C ATOM 1126 NZ LYS A 70 15.126 0.474 -2.099 1.00 4.26 N ATOM 0 H LYS A 70 10.427 -0.243 -2.209 1.00 1.12 H new ATOM 0 HA LYS A 70 9.952 2.576 -1.740 1.00 1.37 H new ATOM 0 HB2 LYS A 70 11.058 0.949 -4.062 1.00 1.62 H new ATOM 0 HB3 LYS A 70 11.026 2.701 -4.016 1.00 1.62 H new ATOM 0 HG2 LYS A 70 12.497 2.745 -2.061 1.00 2.43 H new ATOM 0 HG3 LYS A 70 12.397 1.005 -1.884 1.00 2.43 H new ATOM 0 HD2 LYS A 70 13.479 0.684 -4.117 1.00 2.87 H new ATOM 0 HD3 LYS A 70 13.507 2.417 -4.377 1.00 2.87 H new ATOM 0 HE2 LYS A 70 15.644 2.019 -3.446 1.00 3.49 H new ATOM 0 HE3 LYS A 70 14.714 2.547 -2.057 1.00 3.49 H new ATOM 0 HZ1 LYS A 70 15.621 0.676 -1.207 1.00 4.26 H new ATOM 0 HZ2 LYS A 70 14.242 -0.036 -1.897 1.00 4.26 H new ATOM 0 HZ3 LYS A 70 15.733 -0.113 -2.707 1.00 4.26 H new ATOM 1140 N GLU A 71 8.285 1.050 -4.168 1.00 1.13 N ATOM 1141 CA GLU A 71 6.974 0.943 -4.810 1.00 0.91 C ATOM 1142 C GLU A 71 5.886 0.886 -3.740 1.00 0.70 C ATOM 1143 O GLU A 71 4.940 1.656 -3.770 1.00 0.69 O ATOM 1144 CB GLU A 71 6.880 -0.338 -5.654 1.00 0.95 C ATOM 1145 CG GLU A 71 7.686 -0.279 -6.958 1.00 1.42 C ATOM 1146 CD GLU A 71 6.786 -0.384 -8.202 1.00 2.13 C ATOM 1147 OE1 GLU A 71 6.022 -1.371 -8.300 1.00 3.26 O ATOM 1148 OE2 GLU A 71 6.866 0.465 -9.113 1.00 2.71 O ATOM 0 H GLU A 71 8.963 0.367 -4.506 1.00 1.13 H new ATOM 0 HA GLU A 71 6.841 1.813 -5.453 1.00 0.91 H new ATOM 0 HB2 GLU A 71 7.231 -1.181 -5.059 1.00 0.95 H new ATOM 0 HB3 GLU A 71 5.834 -0.529 -5.892 1.00 0.95 H new ATOM 0 HG2 GLU A 71 8.247 0.655 -6.995 1.00 1.42 H new ATOM 0 HG3 GLU A 71 8.415 -1.089 -6.970 1.00 1.42 H new ATOM 1155 N TYR A 72 6.070 0.043 -2.729 1.00 0.74 N ATOM 1156 CA TYR A 72 5.056 -0.191 -1.697 1.00 0.70 C ATOM 1157 C TYR A 72 4.670 1.079 -0.916 1.00 0.70 C ATOM 1158 O TYR A 72 3.487 1.394 -0.774 1.00 0.66 O ATOM 1159 CB TYR A 72 5.590 -1.302 -0.793 1.00 0.78 C ATOM 1160 CG TYR A 72 4.903 -1.458 0.553 1.00 0.83 C ATOM 1161 CD1 TYR A 72 3.555 -1.843 0.609 1.00 1.67 C ATOM 1162 CD2 TYR A 72 5.611 -1.254 1.752 1.00 2.48 C ATOM 1163 CE1 TYR A 72 2.932 -2.120 1.839 1.00 1.58 C ATOM 1164 CE2 TYR A 72 4.986 -1.481 2.992 1.00 2.63 C ATOM 1165 CZ TYR A 72 3.651 -1.930 3.043 1.00 1.07 C ATOM 1166 OH TYR A 72 3.068 -2.169 4.251 1.00 1.28 O ATOM 0 H TYR A 72 6.924 -0.499 -2.599 1.00 0.74 H new ATOM 0 HA TYR A 72 4.120 -0.496 -2.164 1.00 0.70 H new ATOM 0 HB2 TYR A 72 5.512 -2.248 -1.329 1.00 0.78 H new ATOM 0 HB3 TYR A 72 6.651 -1.121 -0.618 1.00 0.78 H new ATOM 0 HD1 TYR A 72 2.987 -1.928 -0.306 1.00 1.67 H new ATOM 0 HD2 TYR A 72 6.638 -0.922 1.720 1.00 2.48 H new ATOM 0 HE1 TYR A 72 1.912 -2.475 1.865 1.00 1.58 H new ATOM 0 HE2 TYR A 72 5.531 -1.310 3.908 1.00 2.63 H new ATOM 0 HH TYR A 72 3.731 -2.548 4.865 1.00 1.28 H new ATOM 1176 N SER A 73 5.655 1.838 -0.440 1.00 0.77 N ATOM 1177 CA SER A 73 5.421 3.059 0.325 1.00 0.79 C ATOM 1178 C SER A 73 4.864 4.182 -0.560 1.00 0.78 C ATOM 1179 O SER A 73 3.869 4.795 -0.169 1.00 0.80 O ATOM 1180 CB SER A 73 6.709 3.446 1.055 1.00 0.87 C ATOM 1181 OG SER A 73 7.703 3.871 0.140 1.00 1.58 O ATOM 0 H SER A 73 6.642 1.621 -0.575 1.00 0.77 H new ATOM 0 HA SER A 73 4.652 2.880 1.076 1.00 0.79 H new ATOM 0 HB2 SER A 73 6.501 4.244 1.768 1.00 0.87 H new ATOM 0 HB3 SER A 73 7.077 2.594 1.627 1.00 0.87 H new ATOM 0 HG SER A 73 8.191 3.091 -0.198 1.00 1.58 H new ATOM 1187 N VAL A 74 5.402 4.408 -1.767 1.00 0.79 N ATOM 1188 CA VAL A 74 4.843 5.427 -2.668 1.00 0.78 C ATOM 1189 C VAL A 74 3.454 5.038 -3.184 1.00 0.77 C ATOM 1190 O VAL A 74 2.626 5.923 -3.359 1.00 0.77 O ATOM 1191 CB VAL A 74 5.764 5.828 -3.839 1.00 0.81 C ATOM 1192 CG1 VAL A 74 7.123 6.310 -3.319 1.00 0.83 C ATOM 1193 CG2 VAL A 74 5.921 4.777 -4.947 1.00 0.86 C ATOM 0 H VAL A 74 6.210 3.908 -2.138 1.00 0.79 H new ATOM 0 HA VAL A 74 4.752 6.315 -2.043 1.00 0.78 H new ATOM 0 HB VAL A 74 5.251 6.653 -4.332 1.00 0.81 H new ATOM 0 HG11 VAL A 74 7.757 6.588 -4.161 1.00 0.83 H new ATOM 0 HG12 VAL A 74 6.979 7.175 -2.672 1.00 0.83 H new ATOM 0 HG13 VAL A 74 7.601 5.510 -2.754 1.00 0.83 H new ATOM 0 HG21 VAL A 74 6.588 5.160 -5.720 1.00 0.86 H new ATOM 0 HG22 VAL A 74 6.341 3.864 -4.525 1.00 0.86 H new ATOM 0 HG23 VAL A 74 4.946 4.560 -5.384 1.00 0.86 H new ATOM 1203 N PHE A 75 3.157 3.749 -3.362 1.00 0.78 N ATOM 1204 CA PHE A 75 1.845 3.271 -3.793 1.00 0.78 C ATOM 1205 C PHE A 75 0.803 3.498 -2.703 1.00 0.76 C ATOM 1206 O PHE A 75 -0.224 4.096 -2.997 1.00 0.79 O ATOM 1207 CB PHE A 75 1.925 1.800 -4.215 1.00 0.78 C ATOM 1208 CG PHE A 75 0.724 1.305 -4.993 1.00 0.76 C ATOM 1209 CD1 PHE A 75 -0.495 1.017 -4.345 1.00 1.47 C ATOM 1210 CD2 PHE A 75 0.831 1.136 -6.382 1.00 2.22 C ATOM 1211 CE1 PHE A 75 -1.586 0.531 -5.084 1.00 1.47 C ATOM 1212 CE2 PHE A 75 -0.256 0.641 -7.115 1.00 2.21 C ATOM 1213 CZ PHE A 75 -1.458 0.322 -6.468 1.00 0.75 C ATOM 0 H PHE A 75 3.831 2.999 -3.208 1.00 0.78 H new ATOM 0 HA PHE A 75 1.529 3.845 -4.664 1.00 0.78 H new ATOM 0 HB2 PHE A 75 2.819 1.657 -4.822 1.00 0.78 H new ATOM 0 HB3 PHE A 75 2.043 1.185 -3.323 1.00 0.78 H new ATOM 0 HD1 PHE A 75 -0.590 1.170 -3.280 1.00 1.47 H new ATOM 0 HD2 PHE A 75 1.752 1.388 -6.887 1.00 2.22 H new ATOM 0 HE1 PHE A 75 -2.522 0.318 -4.589 1.00 1.47 H new ATOM 0 HE2 PHE A 75 -0.167 0.505 -8.183 1.00 2.21 H new ATOM 0 HZ PHE A 75 -2.285 -0.084 -7.032 1.00 0.75 H new ATOM 1223 N LEU A 76 1.079 3.130 -1.439 1.00 0.73 N ATOM 1224 CA LEU A 76 0.192 3.435 -0.298 1.00 0.71 C ATOM 1225 C LEU A 76 -0.005 4.947 -0.101 1.00 0.73 C ATOM 1226 O LEU A 76 -1.106 5.378 0.243 1.00 0.71 O ATOM 1227 CB LEU A 76 0.761 2.813 0.992 1.00 0.67 C ATOM 1228 CG LEU A 76 0.665 1.277 1.092 1.00 0.71 C ATOM 1229 CD1 LEU A 76 1.352 0.829 2.389 1.00 1.03 C ATOM 1230 CD2 LEU A 76 -0.790 0.785 1.091 1.00 0.71 C ATOM 0 H LEU A 76 1.920 2.615 -1.179 1.00 0.73 H new ATOM 0 HA LEU A 76 -0.783 3.002 -0.521 1.00 0.71 H new ATOM 0 HB2 LEU A 76 1.809 3.100 1.080 1.00 0.67 H new ATOM 0 HB3 LEU A 76 0.239 3.248 1.844 1.00 0.67 H new ATOM 0 HG LEU A 76 1.155 0.847 0.218 1.00 0.71 H new ATOM 0 HD11 LEU A 76 1.293 -0.256 2.476 1.00 1.03 H new ATOM 0 HD12 LEU A 76 2.398 1.136 2.371 1.00 1.03 H new ATOM 0 HD13 LEU A 76 0.853 1.289 3.242 1.00 1.03 H new ATOM 0 HD21 LEU A 76 -0.806 -0.302 1.163 1.00 0.71 H new ATOM 0 HD22 LEU A 76 -1.319 1.213 1.942 1.00 0.71 H new ATOM 0 HD23 LEU A 76 -1.278 1.095 0.167 1.00 0.71 H new ATOM 1242 N THR A 77 1.032 5.740 -0.380 1.00 0.81 N ATOM 1243 CA THR A 77 0.995 7.203 -0.286 1.00 0.83 C ATOM 1244 C THR A 77 0.159 7.836 -1.396 1.00 0.84 C ATOM 1245 O THR A 77 -0.743 8.611 -1.099 1.00 0.83 O ATOM 1246 CB THR A 77 2.425 7.736 -0.234 1.00 0.85 C ATOM 1247 OG1 THR A 77 3.010 7.254 0.943 1.00 0.81 O ATOM 1248 CG2 THR A 77 2.458 9.258 -0.152 1.00 0.92 C ATOM 0 H THR A 77 1.936 5.379 -0.683 1.00 0.81 H new ATOM 0 HA THR A 77 0.490 7.488 0.637 1.00 0.83 H new ATOM 0 HB THR A 77 2.946 7.416 -1.136 1.00 0.85 H new ATOM 0 HG1 THR A 77 3.390 6.365 0.780 1.00 0.81 H new ATOM 0 HG21 THR A 77 3.493 9.598 -0.117 1.00 0.92 H new ATOM 0 HG22 THR A 77 1.967 9.680 -1.029 1.00 0.92 H new ATOM 0 HG23 THR A 77 1.938 9.585 0.748 1.00 0.92 H new ATOM 1256 N MET A 78 0.385 7.485 -2.666 1.00 0.86 N ATOM 1257 CA MET A 78 -0.441 7.975 -3.786 1.00 0.80 C ATOM 1258 C MET A 78 -1.869 7.443 -3.735 1.00 0.89 C ATOM 1259 O MET A 78 -2.798 8.144 -4.118 1.00 0.96 O ATOM 1260 CB MET A 78 0.188 7.619 -5.138 1.00 0.96 C ATOM 1261 CG MET A 78 1.560 8.281 -5.271 1.00 2.43 C ATOM 1262 SD MET A 78 1.961 8.934 -6.915 1.00 2.27 S ATOM 1263 CE MET A 78 1.783 7.404 -7.866 1.00 1.95 C ATOM 0 H MET A 78 1.138 6.859 -2.950 1.00 0.86 H new ATOM 0 HA MET A 78 -0.481 9.059 -3.680 1.00 0.80 H new ATOM 0 HB2 MET A 78 0.288 6.537 -5.228 1.00 0.96 H new ATOM 0 HB3 MET A 78 -0.463 7.948 -5.948 1.00 0.96 H new ATOM 0 HG2 MET A 78 1.621 9.097 -4.551 1.00 2.43 H new ATOM 0 HG3 MET A 78 2.323 7.554 -4.993 1.00 2.43 H new ATOM 0 HE1 MET A 78 2.128 7.568 -8.887 1.00 1.95 H new ATOM 0 HE2 MET A 78 2.378 6.617 -7.404 1.00 1.95 H new ATOM 0 HE3 MET A 78 0.735 7.105 -7.881 1.00 1.95 H new ATOM 1273 N LEU A 79 -2.039 6.225 -3.227 1.00 0.98 N ATOM 1274 CA LEU A 79 -3.346 5.639 -2.919 1.00 1.09 C ATOM 1275 C LEU A 79 -4.081 6.453 -1.853 1.00 1.08 C ATOM 1276 O LEU A 79 -5.235 6.784 -2.077 1.00 1.19 O ATOM 1277 CB LEU A 79 -3.185 4.159 -2.528 1.00 1.23 C ATOM 1278 CG LEU A 79 -4.479 3.448 -2.100 1.00 1.14 C ATOM 1279 CD1 LEU A 79 -5.572 3.548 -3.173 1.00 1.67 C ATOM 1280 CD2 LEU A 79 -4.173 1.969 -1.818 1.00 2.13 C ATOM 0 H LEU A 79 -1.259 5.604 -3.013 1.00 0.98 H new ATOM 0 HA LEU A 79 -3.969 5.674 -3.813 1.00 1.09 H new ATOM 0 HB2 LEU A 79 -2.757 3.621 -3.374 1.00 1.23 H new ATOM 0 HB3 LEU A 79 -2.466 4.092 -1.711 1.00 1.23 H new ATOM 0 HG LEU A 79 -4.851 3.940 -1.202 1.00 1.14 H new ATOM 0 HD11 LEU A 79 -6.468 3.032 -2.829 1.00 1.67 H new ATOM 0 HD12 LEU A 79 -5.805 4.597 -3.358 1.00 1.67 H new ATOM 0 HD13 LEU A 79 -5.220 3.086 -4.095 1.00 1.67 H new ATOM 0 HD21 LEU A 79 -5.088 1.460 -1.514 1.00 2.13 H new ATOM 0 HD22 LEU A 79 -3.780 1.500 -2.720 1.00 2.13 H new ATOM 0 HD23 LEU A 79 -3.435 1.896 -1.020 1.00 2.13 H new ATOM 1292 N CYS A 80 -3.434 6.851 -0.751 1.00 1.00 N ATOM 1293 CA CYS A 80 -4.029 7.774 0.224 1.00 1.03 C ATOM 1294 C CYS A 80 -4.452 9.101 -0.443 1.00 1.16 C ATOM 1295 O CYS A 80 -5.553 9.596 -0.204 1.00 1.30 O ATOM 1296 CB CYS A 80 -3.030 7.950 1.378 1.00 1.01 C ATOM 1297 SG CYS A 80 -3.773 8.926 2.717 1.00 1.19 S ATOM 0 H CYS A 80 -2.491 6.546 -0.511 1.00 1.00 H new ATOM 0 HA CYS A 80 -4.954 7.365 0.632 1.00 1.03 H new ATOM 0 HB2 CYS A 80 -2.726 6.974 1.756 1.00 1.01 H new ATOM 0 HB3 CYS A 80 -2.129 8.445 1.015 1.00 1.01 H new ATOM 0 HG CYS A 80 -2.914 9.062 3.683 1.00 1.19 H new ATOM 1303 N MET A 81 -3.635 9.616 -1.371 1.00 1.22 N ATOM 1304 CA MET A 81 -3.907 10.830 -2.150 1.00 1.41 C ATOM 1305 C MET A 81 -5.105 10.681 -3.103 1.00 1.44 C ATOM 1306 O MET A 81 -5.551 11.669 -3.673 1.00 1.71 O ATOM 1307 CB MET A 81 -2.629 11.263 -2.889 1.00 1.66 C ATOM 1308 CG MET A 81 -2.555 12.786 -3.062 1.00 2.20 C ATOM 1309 SD MET A 81 -2.215 13.715 -1.543 1.00 2.84 S ATOM 1310 CE MET A 81 -0.410 13.617 -1.491 1.00 3.30 C ATOM 0 H MET A 81 -2.740 9.187 -1.607 1.00 1.22 H new ATOM 0 HA MET A 81 -4.197 11.616 -1.453 1.00 1.41 H new ATOM 0 HB2 MET A 81 -1.755 10.918 -2.336 1.00 1.66 H new ATOM 0 HB3 MET A 81 -2.596 10.785 -3.868 1.00 1.66 H new ATOM 0 HG2 MET A 81 -1.779 13.016 -3.792 1.00 2.20 H new ATOM 0 HG3 MET A 81 -3.499 13.135 -3.480 1.00 2.20 H new ATOM 0 HE1 MET A 81 -0.042 14.143 -0.610 1.00 3.30 H new ATOM 0 HE2 MET A 81 -0.104 12.572 -1.444 1.00 3.30 H new ATOM 0 HE3 MET A 81 0.005 14.076 -2.388 1.00 3.30 H new ATOM 1320 N ALA A 82 -5.642 9.466 -3.283 1.00 1.29 N ATOM 1321 CA ALA A 82 -6.831 9.197 -4.089 1.00 1.40 C ATOM 1322 C ALA A 82 -8.168 9.360 -3.322 1.00 1.38 C ATOM 1323 O ALA A 82 -9.210 8.936 -3.831 1.00 1.75 O ATOM 1324 CB ALA A 82 -6.689 7.812 -4.731 1.00 1.45 C ATOM 0 H ALA A 82 -5.248 8.626 -2.860 1.00 1.29 H new ATOM 0 HA ALA A 82 -6.885 9.958 -4.867 1.00 1.40 H new ATOM 0 HB1 ALA A 82 -7.571 7.599 -5.336 1.00 1.45 H new ATOM 0 HB2 ALA A 82 -5.802 7.794 -5.364 1.00 1.45 H new ATOM 0 HB3 ALA A 82 -6.593 7.057 -3.950 1.00 1.45 H new ATOM 1330 N TYR A 83 -8.136 9.914 -2.096 1.00 1.12 N ATOM 1331 CA TYR A 83 -9.307 10.149 -1.218 1.00 1.17 C ATOM 1332 C TYR A 83 -9.042 10.999 0.056 1.00 1.18 C ATOM 1333 O TYR A 83 -9.956 11.206 0.857 1.00 1.57 O ATOM 1334 CB TYR A 83 -9.962 8.802 -0.847 1.00 1.29 C ATOM 1335 CG TYR A 83 -9.022 7.760 -0.274 1.00 1.31 C ATOM 1336 CD1 TYR A 83 -8.728 7.755 1.102 1.00 2.12 C ATOM 1337 CD2 TYR A 83 -8.472 6.768 -1.113 1.00 2.19 C ATOM 1338 CE1 TYR A 83 -7.882 6.766 1.643 1.00 2.25 C ATOM 1339 CE2 TYR A 83 -7.640 5.769 -0.576 1.00 2.36 C ATOM 1340 CZ TYR A 83 -7.332 5.769 0.802 1.00 1.75 C ATOM 1341 OH TYR A 83 -6.537 4.791 1.313 1.00 2.06 O ATOM 0 H TYR A 83 -7.263 10.224 -1.670 1.00 1.12 H new ATOM 0 HA TYR A 83 -9.986 10.763 -1.810 1.00 1.17 H new ATOM 0 HB2 TYR A 83 -10.755 8.990 -0.123 1.00 1.29 H new ATOM 0 HB3 TYR A 83 -10.435 8.390 -1.738 1.00 1.29 H new ATOM 0 HD1 TYR A 83 -9.152 8.511 1.746 1.00 2.12 H new ATOM 0 HD2 TYR A 83 -8.690 6.776 -2.171 1.00 2.19 H new ATOM 0 HE1 TYR A 83 -7.654 6.769 2.699 1.00 2.25 H new ATOM 0 HE2 TYR A 83 -7.236 5.001 -1.219 1.00 2.36 H new ATOM 0 HH TYR A 83 -6.250 4.193 0.592 1.00 2.06 H new ATOM 1351 N ASN A 84 -7.822 11.500 0.293 1.00 1.24 N ATOM 1352 CA ASN A 84 -7.449 12.187 1.546 1.00 1.38 C ATOM 1353 C ASN A 84 -7.899 13.655 1.697 1.00 1.32 C ATOM 1354 O ASN A 84 -7.622 14.263 2.735 1.00 1.62 O ATOM 1355 CB ASN A 84 -5.965 11.966 1.873 1.00 1.63 C ATOM 1356 CG ASN A 84 -4.990 12.583 0.884 1.00 3.00 C ATOM 1357 OD1 ASN A 84 -5.347 13.328 -0.011 1.00 4.31 O ATOM 1358 ND2 ASN A 84 -3.712 12.272 1.025 1.00 3.43 N ATOM 0 H ASN A 84 -7.058 11.442 -0.381 1.00 1.24 H new ATOM 0 HA ASN A 84 -8.051 11.699 2.312 1.00 1.38 H new ATOM 0 HB2 ASN A 84 -5.762 12.374 2.863 1.00 1.63 H new ATOM 0 HB3 ASN A 84 -5.776 10.894 1.926 1.00 1.63 H new ATOM 0 HD21 ASN A 84 -3.020 12.657 0.382 1.00 3.43 H new ATOM 0 HD22 ASN A 84 -3.419 11.648 1.776 1.00 3.43 H new ATOM 1365 N ASP A 85 -8.731 14.154 0.780 1.00 1.65 N ATOM 1366 CA ASP A 85 -9.647 15.269 1.066 1.00 1.56 C ATOM 1367 C ASP A 85 -10.673 14.946 2.177 1.00 1.96 C ATOM 1368 O ASP A 85 -11.304 15.847 2.716 1.00 2.24 O ATOM 1369 CB ASP A 85 -10.369 15.714 -0.214 1.00 2.29 C ATOM 1370 CG ASP A 85 -9.428 16.370 -1.228 1.00 3.92 C ATOM 1371 OD1 ASP A 85 -8.748 17.351 -0.841 1.00 5.05 O ATOM 1372 OD2 ASP A 85 -9.392 15.872 -2.376 1.00 4.88 O ATOM 0 H ASP A 85 -8.792 13.802 -0.176 1.00 1.65 H new ATOM 0 HA ASP A 85 -9.030 16.086 1.440 1.00 1.56 H new ATOM 0 HB2 ASP A 85 -10.847 14.850 -0.675 1.00 2.29 H new ATOM 0 HB3 ASP A 85 -11.161 16.416 0.046 1.00 2.29 H new ATOM 1377 N PHE A 86 -10.783 13.680 2.605 1.00 2.51 N ATOM 1378 CA PHE A 86 -11.472 13.275 3.838 1.00 3.30 C ATOM 1379 C PHE A 86 -10.903 13.944 5.116 1.00 3.35 C ATOM 1380 O PHE A 86 -11.532 13.904 6.173 1.00 4.12 O ATOM 1381 CB PHE A 86 -11.410 11.737 3.911 1.00 3.86 C ATOM 1382 CG PHE A 86 -12.323 11.100 4.941 1.00 3.93 C ATOM 1383 CD1 PHE A 86 -13.683 10.898 4.640 1.00 4.59 C ATOM 1384 CD2 PHE A 86 -11.818 10.691 6.189 1.00 4.46 C ATOM 1385 CE1 PHE A 86 -14.530 10.283 5.580 1.00 5.15 C ATOM 1386 CE2 PHE A 86 -12.668 10.083 7.132 1.00 5.21 C ATOM 1387 CZ PHE A 86 -14.022 9.876 6.824 1.00 5.30 C ATOM 0 H PHE A 86 -10.387 12.892 2.092 1.00 2.51 H new ATOM 0 HA PHE A 86 -12.506 13.618 3.800 1.00 3.30 H new ATOM 0 HB2 PHE A 86 -11.659 11.333 2.930 1.00 3.86 H new ATOM 0 HB3 PHE A 86 -10.383 11.441 4.127 1.00 3.86 H new ATOM 0 HD1 PHE A 86 -14.077 11.216 3.686 1.00 4.59 H new ATOM 0 HD2 PHE A 86 -10.775 10.844 6.424 1.00 4.46 H new ATOM 0 HE1 PHE A 86 -15.572 10.124 5.344 1.00 5.15 H new ATOM 0 HE2 PHE A 86 -12.279 9.776 8.092 1.00 5.21 H new ATOM 0 HZ PHE A 86 -14.673 9.403 7.544 1.00 5.30 H new ATOM 1397 N PHE A 87 -9.714 14.559 5.027 1.00 2.76 N ATOM 1398 CA PHE A 87 -9.086 15.372 6.077 1.00 3.10 C ATOM 1399 C PHE A 87 -9.162 16.890 5.788 1.00 3.08 C ATOM 1400 O PHE A 87 -8.399 17.668 6.366 1.00 3.41 O ATOM 1401 CB PHE A 87 -7.636 14.889 6.274 1.00 2.95 C ATOM 1402 CG PHE A 87 -7.480 13.378 6.391 1.00 3.25 C ATOM 1403 CD1 PHE A 87 -8.253 12.641 7.306 1.00 4.10 C ATOM 1404 CD2 PHE A 87 -6.586 12.701 5.540 1.00 3.35 C ATOM 1405 CE1 PHE A 87 -8.149 11.238 7.353 1.00 4.56 C ATOM 1406 CE2 PHE A 87 -6.495 11.299 5.572 1.00 3.95 C ATOM 1407 CZ PHE A 87 -7.280 10.564 6.479 1.00 4.35 C ATOM 0 H PHE A 87 -9.141 14.500 4.186 1.00 2.76 H new ATOM 0 HA PHE A 87 -9.642 15.235 7.004 1.00 3.10 H new ATOM 0 HB2 PHE A 87 -7.033 15.239 5.436 1.00 2.95 H new ATOM 0 HB3 PHE A 87 -7.232 15.353 7.173 1.00 2.95 H new ATOM 0 HD1 PHE A 87 -8.929 13.153 7.975 1.00 4.10 H new ATOM 0 HD2 PHE A 87 -5.966 13.263 4.858 1.00 3.35 H new ATOM 0 HE1 PHE A 87 -8.739 10.678 8.063 1.00 4.56 H new ATOM 0 HE2 PHE A 87 -5.823 10.786 4.900 1.00 3.95 H new ATOM 0 HZ PHE A 87 -7.215 9.486 6.503 1.00 4.35 H new ATOM 1417 N LEU A 88 -10.054 17.312 4.880 1.00 2.87 N ATOM 1418 CA LEU A 88 -10.321 18.704 4.517 1.00 3.06 C ATOM 1419 C LEU A 88 -11.819 19.025 4.564 1.00 3.88 C ATOM 1420 O LEU A 88 -12.690 18.161 4.558 1.00 4.85 O ATOM 1421 CB LEU A 88 -9.743 18.991 3.107 1.00 2.18 C ATOM 1422 CG LEU A 88 -8.252 19.364 3.140 1.00 2.50 C ATOM 1423 CD1 LEU A 88 -7.614 19.197 1.758 1.00 2.48 C ATOM 1424 CD2 LEU A 88 -8.044 20.808 3.624 1.00 3.50 C ATOM 0 H LEU A 88 -10.635 16.657 4.356 1.00 2.87 H new ATOM 0 HA LEU A 88 -9.832 19.349 5.247 1.00 3.06 H new ATOM 0 HB2 LEU A 88 -9.879 18.112 2.477 1.00 2.18 H new ATOM 0 HB3 LEU A 88 -10.306 19.803 2.647 1.00 2.18 H new ATOM 0 HG LEU A 88 -7.769 18.685 3.843 1.00 2.50 H new ATOM 0 HD11 LEU A 88 -6.559 19.467 1.809 1.00 2.48 H new ATOM 0 HD12 LEU A 88 -7.708 18.160 1.437 1.00 2.48 H new ATOM 0 HD13 LEU A 88 -8.120 19.845 1.043 1.00 2.48 H new ATOM 0 HD21 LEU A 88 -6.979 21.038 3.635 1.00 3.50 H new ATOM 0 HD22 LEU A 88 -8.557 21.495 2.951 1.00 3.50 H new ATOM 0 HD23 LEU A 88 -8.449 20.916 4.630 1.00 3.50 H new ATOM 1436 N GLU A 89 -12.096 20.321 4.616 1.00 3.99 N ATOM 1437 CA GLU A 89 -13.423 20.932 4.679 1.00 4.73 C ATOM 1438 C GLU A 89 -13.925 21.410 3.304 1.00 4.23 C ATOM 1439 O GLU A 89 -14.976 22.039 3.199 1.00 4.61 O ATOM 1440 CB GLU A 89 -13.330 22.157 5.599 1.00 5.63 C ATOM 1441 CG GLU A 89 -12.772 21.882 7.011 1.00 6.39 C ATOM 1442 CD GLU A 89 -11.239 21.798 7.089 1.00 6.17 C ATOM 1443 OE1 GLU A 89 -10.535 22.003 6.072 1.00 5.67 O ATOM 1444 OE2 GLU A 89 -10.704 21.547 8.190 1.00 6.92 O ATOM 0 H GLU A 89 -11.354 21.021 4.615 1.00 3.99 H new ATOM 0 HA GLU A 89 -14.122 20.180 5.045 1.00 4.73 H new ATOM 0 HB2 GLU A 89 -12.701 22.905 5.117 1.00 5.63 H new ATOM 0 HB3 GLU A 89 -14.324 22.593 5.698 1.00 5.63 H new ATOM 0 HG2 GLU A 89 -13.114 22.670 7.682 1.00 6.39 H new ATOM 0 HG3 GLU A 89 -13.193 20.946 7.378 1.00 6.39 H new ATOM 1451 N ASP A 90 -13.082 21.246 2.287 1.00 3.58 N ATOM 1452 CA ASP A 90 -13.183 21.758 0.907 1.00 3.42 C ATOM 1453 C ASP A 90 -13.195 23.301 0.806 1.00 4.00 C ATOM 1454 O ASP A 90 -13.213 23.860 -0.287 1.00 4.35 O ATOM 1455 CB ASP A 90 -14.351 21.111 0.140 1.00 4.81 C ATOM 1456 CG ASP A 90 -14.155 21.271 -1.375 1.00 5.24 C ATOM 1457 OD1 ASP A 90 -13.108 20.808 -1.876 1.00 5.65 O ATOM 1458 OD2 ASP A 90 -14.937 21.974 -2.059 1.00 5.74 O ATOM 0 H ASP A 90 -12.229 20.702 2.412 1.00 3.58 H new ATOM 0 HA ASP A 90 -12.260 21.453 0.415 1.00 3.42 H new ATOM 0 HB2 ASP A 90 -14.419 20.053 0.394 1.00 4.81 H new ATOM 0 HB3 ASP A 90 -15.291 21.572 0.442 1.00 4.81 H new ATOM 1463 N ASN A 91 -13.119 24.012 1.936 1.00 5.32 N ATOM 1464 CA ASN A 91 -13.083 25.476 2.005 1.00 6.93 C ATOM 1465 C ASN A 91 -11.806 26.095 1.385 1.00 6.97 C ATOM 1466 O ASN A 91 -11.807 27.291 1.107 1.00 8.02 O ATOM 1467 CB ASN A 91 -13.274 25.910 3.471 1.00 8.55 C ATOM 1468 CG ASN A 91 -14.737 25.922 3.915 1.00 10.16 C ATOM 1469 OD1 ASN A 91 -15.257 26.941 4.344 1.00 11.55 O ATOM 1470 ND2 ASN A 91 -15.460 24.819 3.843 1.00 10.42 N ATOM 0 H ASN A 91 -13.080 23.571 2.855 1.00 5.32 H new ATOM 0 HA ASN A 91 -13.901 25.860 1.395 1.00 6.93 H new ATOM 0 HB2 ASN A 91 -12.711 25.237 4.118 1.00 8.55 H new ATOM 0 HB3 ASN A 91 -12.853 26.907 3.605 1.00 8.55 H new ATOM 0 HD21 ASN A 91 -16.435 24.828 4.143 1.00 10.42 H new ATOM 0 HD22 ASN A 91 -15.043 23.958 3.488 1.00 10.42 H new ATOM 1477 N LYS A 92 -10.773 25.266 1.147 1.00 6.07 N ATOM 1478 CA LYS A 92 -9.504 25.467 0.414 1.00 6.16 C ATOM 1479 C LYS A 92 -8.348 25.810 1.365 1.00 7.10 C ATOM 1480 O LYS A 92 -7.701 26.862 1.188 1.00 7.71 O ATOM 1481 CB LYS A 92 -9.632 26.408 -0.811 1.00 6.46 C ATOM 1482 CG LYS A 92 -10.784 26.119 -1.796 1.00 6.37 C ATOM 1483 CD LYS A 92 -10.889 24.666 -2.298 1.00 5.66 C ATOM 1484 CE LYS A 92 -12.252 24.484 -2.979 1.00 6.49 C ATOM 1485 NZ LYS A 92 -12.595 23.058 -3.182 1.00 6.68 N ATOM 1486 OXT LYS A 92 -8.094 24.938 2.224 1.00 7.61 O ATOM 0 H LYS A 92 -10.812 24.314 1.511 1.00 6.07 H new ATOM 0 HA LYS A 92 -9.245 24.508 -0.034 1.00 6.16 H new ATOM 0 HB2 LYS A 92 -9.747 27.428 -0.445 1.00 6.46 H new ATOM 0 HB3 LYS A 92 -8.694 26.372 -1.366 1.00 6.46 H new ATOM 0 HG2 LYS A 92 -11.724 26.386 -1.314 1.00 6.37 H new ATOM 0 HG3 LYS A 92 -10.671 26.775 -2.660 1.00 6.37 H new ATOM 0 HD2 LYS A 92 -10.083 24.448 -2.999 1.00 5.66 H new ATOM 0 HD3 LYS A 92 -10.785 23.969 -1.466 1.00 5.66 H new ATOM 0 HE2 LYS A 92 -13.024 24.958 -2.373 1.00 6.49 H new ATOM 0 HE3 LYS A 92 -12.245 24.994 -3.942 1.00 6.49 H new ATOM 0 HZ1 LYS A 92 -13.629 22.949 -3.201 1.00 6.68 H new ATOM 0 HZ2 LYS A 92 -12.196 22.730 -4.084 1.00 6.68 H new ATOM 0 HZ3 LYS A 92 -12.201 22.492 -2.403 1.00 6.68 H new TER 1500 LYS A 92 ATOM 1501 N MET B 1 -11.069 1.518 14.096 1.00 6.21 N ATOM 1502 CA MET B 1 -10.899 2.092 12.742 1.00 4.63 C ATOM 1503 C MET B 1 -11.325 1.018 11.753 1.00 2.90 C ATOM 1504 O MET B 1 -12.120 0.166 12.141 1.00 3.73 O ATOM 1505 CB MET B 1 -9.453 2.587 12.501 1.00 5.40 C ATOM 1506 CG MET B 1 -8.939 3.529 13.594 1.00 7.16 C ATOM 1507 SD MET B 1 -10.137 4.770 14.145 1.00 7.98 S ATOM 1508 CE MET B 1 -9.653 6.181 13.109 1.00 8.90 C ATOM 0 H1 MET B 1 -11.470 2.238 14.730 1.00 6.21 H new ATOM 0 H2 MET B 1 -11.711 0.701 14.049 1.00 6.21 H new ATOM 0 H3 MET B 1 -10.145 1.211 14.461 1.00 6.21 H new ATOM 0 HA MET B 1 -11.518 2.980 12.617 1.00 4.63 H new ATOM 0 HB2 MET B 1 -8.789 1.725 12.434 1.00 5.40 H new ATOM 0 HB3 MET B 1 -9.408 3.100 11.540 1.00 5.40 H new ATOM 0 HG2 MET B 1 -8.632 2.933 14.453 1.00 7.16 H new ATOM 0 HG3 MET B 1 -8.049 4.040 13.226 1.00 7.16 H new ATOM 0 HE1 MET B 1 -10.298 7.032 13.328 1.00 8.90 H new ATOM 0 HE2 MET B 1 -8.617 6.448 13.318 1.00 8.90 H new ATOM 0 HE3 MET B 1 -9.753 5.912 12.058 1.00 8.90 H new ATOM 1517 N GLU B 2 -10.748 1.000 10.555 1.00 1.76 N ATOM 1518 CA GLU B 2 -10.429 -0.260 9.895 1.00 1.67 C ATOM 1519 C GLU B 2 -9.138 -0.837 10.513 1.00 1.47 C ATOM 1520 O GLU B 2 -9.042 -0.949 11.740 1.00 2.26 O ATOM 1521 CB GLU B 2 -10.362 -0.050 8.374 1.00 3.46 C ATOM 1522 CG GLU B 2 -11.730 0.348 7.820 1.00 4.36 C ATOM 1523 CD GLU B 2 -11.692 0.492 6.308 1.00 5.89 C ATOM 1524 OE1 GLU B 2 -10.949 -0.269 5.646 1.00 6.94 O ATOM 1525 OE2 GLU B 2 -12.446 1.341 5.792 1.00 6.54 O ATOM 0 H GLU B 2 -10.494 1.835 10.027 1.00 1.76 H new ATOM 0 HA GLU B 2 -11.211 -1.002 10.056 1.00 1.67 H new ATOM 0 HB2 GLU B 2 -9.631 0.724 8.141 1.00 3.46 H new ATOM 0 HB3 GLU B 2 -10.021 -0.966 7.891 1.00 3.46 H new ATOM 0 HG2 GLU B 2 -12.470 -0.403 8.098 1.00 4.36 H new ATOM 0 HG3 GLU B 2 -12.047 1.289 8.269 1.00 4.36 H new ATOM 1532 N THR B 3 -8.165 -1.210 9.675 1.00 1.20 N ATOM 1533 CA THR B 3 -7.112 -2.194 9.928 1.00 1.29 C ATOM 1534 C THR B 3 -5.848 -1.597 10.563 1.00 1.23 C ATOM 1535 O THR B 3 -5.694 -0.373 10.613 1.00 1.16 O ATOM 1536 CB THR B 3 -6.788 -2.860 8.579 1.00 1.67 C ATOM 1537 OG1 THR B 3 -6.336 -1.871 7.688 1.00 1.57 O ATOM 1538 CG2 THR B 3 -8.021 -3.558 7.989 1.00 2.14 C ATOM 0 H THR B 3 -8.089 -0.805 8.742 1.00 1.20 H new ATOM 0 HA THR B 3 -7.473 -2.917 10.659 1.00 1.29 H new ATOM 0 HB THR B 3 -6.019 -3.617 8.736 1.00 1.67 H new ATOM 0 HG1 THR B 3 -5.950 -2.297 6.895 1.00 1.57 H new ATOM 0 HG21 THR B 3 -7.758 -4.018 7.037 1.00 2.14 H new ATOM 0 HG22 THR B 3 -8.369 -4.326 8.679 1.00 2.14 H new ATOM 0 HG23 THR B 3 -8.813 -2.826 7.832 1.00 2.14 H new ATOM 1546 N PRO B 4 -4.908 -2.441 11.041 1.00 1.41 N ATOM 1547 CA PRO B 4 -3.619 -1.971 11.531 1.00 1.44 C ATOM 1548 C PRO B 4 -2.692 -1.505 10.397 1.00 1.20 C ATOM 1549 O PRO B 4 -1.896 -0.606 10.643 1.00 1.34 O ATOM 1550 CB PRO B 4 -3.023 -3.140 12.322 1.00 1.84 C ATOM 1551 CG PRO B 4 -3.655 -4.369 11.676 1.00 1.98 C ATOM 1552 CD PRO B 4 -5.049 -3.873 11.290 1.00 1.79 C ATOM 0 HA PRO B 4 -3.740 -1.089 12.160 1.00 1.44 H new ATOM 0 HB2 PRO B 4 -1.936 -3.162 12.247 1.00 1.84 H new ATOM 0 HB3 PRO B 4 -3.268 -3.073 13.382 1.00 1.84 H new ATOM 0 HG2 PRO B 4 -3.090 -4.704 10.806 1.00 1.98 H new ATOM 0 HG3 PRO B 4 -3.703 -5.210 12.368 1.00 1.98 H new ATOM 0 HD2 PRO B 4 -5.416 -4.390 10.403 1.00 1.79 H new ATOM 0 HD3 PRO B 4 -5.766 -4.062 12.089 1.00 1.79 H new ATOM 1560 N LEU B 5 -2.828 -2.025 9.161 1.00 1.06 N ATOM 1561 CA LEU B 5 -2.172 -1.448 7.975 1.00 0.98 C ATOM 1562 C LEU B 5 -2.495 0.046 7.878 1.00 0.94 C ATOM 1563 O LEU B 5 -1.587 0.878 7.897 1.00 1.08 O ATOM 1564 CB LEU B 5 -2.639 -2.218 6.718 1.00 1.07 C ATOM 1565 CG LEU B 5 -2.126 -1.628 5.380 1.00 1.43 C ATOM 1566 CD1 LEU B 5 -0.597 -1.713 5.257 1.00 1.73 C ATOM 1567 CD2 LEU B 5 -2.775 -2.361 4.198 1.00 2.46 C ATOM 0 H LEU B 5 -3.392 -2.851 8.959 1.00 1.06 H new ATOM 0 HA LEU B 5 -1.089 -1.545 8.055 1.00 0.98 H new ATOM 0 HB2 LEU B 5 -2.306 -3.253 6.796 1.00 1.07 H new ATOM 0 HB3 LEU B 5 -3.729 -2.234 6.700 1.00 1.07 H new ATOM 0 HG LEU B 5 -2.404 -0.574 5.365 1.00 1.43 H new ATOM 0 HD11 LEU B 5 -0.284 -1.288 4.303 1.00 1.73 H new ATOM 0 HD12 LEU B 5 -0.135 -1.156 6.072 1.00 1.73 H new ATOM 0 HD13 LEU B 5 -0.285 -2.756 5.308 1.00 1.73 H new ATOM 0 HD21 LEU B 5 -2.408 -1.939 3.262 1.00 2.46 H new ATOM 0 HD22 LEU B 5 -2.521 -3.420 4.243 1.00 2.46 H new ATOM 0 HD23 LEU B 5 -3.858 -2.245 4.248 1.00 2.46 H new ATOM 1579 N GLU B 6 -3.789 0.373 7.883 1.00 0.88 N ATOM 1580 CA GLU B 6 -4.283 1.743 7.977 1.00 0.95 C ATOM 1581 C GLU B 6 -3.719 2.455 9.218 1.00 1.04 C ATOM 1582 O GLU B 6 -3.301 3.609 9.122 1.00 1.22 O ATOM 1583 CB GLU B 6 -5.824 1.714 7.917 1.00 0.99 C ATOM 1584 CG GLU B 6 -6.576 2.894 8.546 1.00 1.31 C ATOM 1585 CD GLU B 6 -6.015 4.263 8.165 1.00 2.42 C ATOM 1586 OE1 GLU B 6 -5.565 4.420 7.013 1.00 3.46 O ATOM 1587 OE2 GLU B 6 -6.000 5.116 9.080 1.00 3.50 O ATOM 0 H GLU B 6 -4.534 -0.321 7.821 1.00 0.88 H new ATOM 0 HA GLU B 6 -3.931 2.336 7.133 1.00 0.95 H new ATOM 0 HB2 GLU B 6 -6.119 1.646 6.870 1.00 0.99 H new ATOM 0 HB3 GLU B 6 -6.163 0.800 8.404 1.00 0.99 H new ATOM 0 HG2 GLU B 6 -7.623 2.846 8.246 1.00 1.31 H new ATOM 0 HG3 GLU B 6 -6.550 2.791 9.631 1.00 1.31 H new ATOM 1594 N LYS B 7 -3.581 1.797 10.376 1.00 1.01 N ATOM 1595 CA LYS B 7 -2.956 2.472 11.519 1.00 1.14 C ATOM 1596 C LYS B 7 -1.538 3.008 11.278 1.00 1.14 C ATOM 1597 O LYS B 7 -1.157 3.936 12.005 1.00 1.25 O ATOM 1598 CB LYS B 7 -3.021 1.676 12.832 1.00 1.28 C ATOM 1599 CG LYS B 7 -4.422 1.597 13.451 1.00 1.31 C ATOM 1600 CD LYS B 7 -5.123 2.949 13.668 1.00 2.19 C ATOM 1601 CE LYS B 7 -4.346 4.006 14.487 1.00 3.68 C ATOM 1602 NZ LYS B 7 -3.390 4.820 13.682 1.00 5.41 N ATOM 0 H LYS B 7 -3.880 0.836 10.544 1.00 1.01 H new ATOM 0 HA LYS B 7 -3.592 3.350 11.633 1.00 1.14 H new ATOM 0 HB2 LYS B 7 -2.660 0.664 12.649 1.00 1.28 H new ATOM 0 HB3 LYS B 7 -2.342 2.131 13.554 1.00 1.28 H new ATOM 0 HG2 LYS B 7 -5.050 0.980 12.809 1.00 1.31 H new ATOM 0 HG3 LYS B 7 -4.349 1.086 14.411 1.00 1.31 H new ATOM 0 HD2 LYS B 7 -5.352 3.375 12.691 1.00 2.19 H new ATOM 0 HD3 LYS B 7 -6.075 2.764 14.166 1.00 2.19 H new ATOM 0 HE2 LYS B 7 -5.060 4.675 14.967 1.00 3.68 H new ATOM 0 HE3 LYS B 7 -3.797 3.502 15.282 1.00 3.68 H new ATOM 0 HZ1 LYS B 7 -3.154 5.690 14.200 1.00 5.41 H new ATOM 0 HZ2 LYS B 7 -2.523 4.271 13.514 1.00 5.41 H new ATOM 0 HZ3 LYS B 7 -3.826 5.067 12.771 1.00 5.41 H new ATOM 1616 N ALA B 8 -0.791 2.522 10.287 1.00 1.07 N ATOM 1617 CA ALA B 8 0.424 3.187 9.827 1.00 1.02 C ATOM 1618 C ALA B 8 0.091 4.509 9.123 1.00 0.80 C ATOM 1619 O ALA B 8 0.549 5.562 9.575 1.00 0.72 O ATOM 1620 CB ALA B 8 1.222 2.239 8.929 1.00 1.15 C ATOM 0 H ALA B 8 -1.010 1.662 9.784 1.00 1.07 H new ATOM 0 HA ALA B 8 1.045 3.438 10.687 1.00 1.02 H new ATOM 0 HB1 ALA B 8 2.129 2.739 8.587 1.00 1.15 H new ATOM 0 HB2 ALA B 8 1.490 1.345 9.492 1.00 1.15 H new ATOM 0 HB3 ALA B 8 0.616 1.958 8.068 1.00 1.15 H new ATOM 1626 N LEU B 9 -0.759 4.464 8.092 1.00 0.76 N ATOM 1627 CA LEU B 9 -1.181 5.620 7.294 1.00 0.68 C ATOM 1628 C LEU B 9 -1.801 6.719 8.167 1.00 0.66 C ATOM 1629 O LEU B 9 -1.350 7.864 8.053 1.00 0.68 O ATOM 1630 CB LEU B 9 -2.153 5.184 6.176 1.00 0.68 C ATOM 1631 CG LEU B 9 -1.537 4.550 4.907 1.00 0.67 C ATOM 1632 CD1 LEU B 9 -0.588 5.517 4.182 1.00 0.77 C ATOM 1633 CD2 LEU B 9 -0.828 3.219 5.182 1.00 0.72 C ATOM 0 H LEU B 9 -1.187 3.592 7.779 1.00 0.76 H new ATOM 0 HA LEU B 9 -0.290 6.043 6.829 1.00 0.68 H new ATOM 0 HB2 LEU B 9 -2.858 4.470 6.602 1.00 0.68 H new ATOM 0 HB3 LEU B 9 -2.729 6.057 5.871 1.00 0.68 H new ATOM 0 HG LEU B 9 -2.382 4.338 4.252 1.00 0.67 H new ATOM 0 HD11 LEU B 9 -0.179 5.030 3.297 1.00 0.77 H new ATOM 0 HD12 LEU B 9 -1.137 6.410 3.883 1.00 0.77 H new ATOM 0 HD13 LEU B 9 0.226 5.798 4.851 1.00 0.77 H new ATOM 0 HD21 LEU B 9 -0.418 2.826 4.252 1.00 0.72 H new ATOM 0 HD22 LEU B 9 -0.020 3.378 5.896 1.00 0.72 H new ATOM 0 HD23 LEU B 9 -1.541 2.505 5.594 1.00 0.72 H new ATOM 1645 N THR B 10 -2.739 6.396 9.084 1.00 0.67 N ATOM 1646 CA THR B 10 -3.294 7.388 10.029 1.00 0.70 C ATOM 1647 C THR B 10 -2.190 8.121 10.755 1.00 0.79 C ATOM 1648 O THR B 10 -2.172 9.347 10.747 1.00 0.90 O ATOM 1649 CB THR B 10 -4.247 6.861 11.112 1.00 0.85 C ATOM 1650 OG1 THR B 10 -4.509 5.486 11.073 1.00 1.87 O ATOM 1651 CG2 THR B 10 -5.545 7.647 11.047 1.00 1.29 C ATOM 0 H THR B 10 -3.126 5.458 9.189 1.00 0.67 H new ATOM 0 HA THR B 10 -3.881 8.027 9.369 1.00 0.70 H new ATOM 0 HB THR B 10 -3.732 7.009 12.061 1.00 0.85 H new ATOM 0 HG1 THR B 10 -4.940 5.259 10.222 1.00 1.87 H new ATOM 0 HG21 THR B 10 -6.230 7.282 11.812 1.00 1.29 H new ATOM 0 HG22 THR B 10 -5.340 8.704 11.219 1.00 1.29 H new ATOM 0 HG23 THR B 10 -5.998 7.521 10.064 1.00 1.29 H new ATOM 1659 N THR B 11 -1.252 7.377 11.351 1.00 0.77 N ATOM 1660 CA THR B 11 -0.148 7.960 12.127 1.00 0.81 C ATOM 1661 C THR B 11 0.659 8.920 11.258 1.00 0.80 C ATOM 1662 O THR B 11 1.042 9.998 11.715 1.00 0.91 O ATOM 1663 CB THR B 11 0.743 6.855 12.703 1.00 0.89 C ATOM 1664 OG1 THR B 11 -0.062 5.943 13.412 1.00 0.96 O ATOM 1665 CG2 THR B 11 1.797 7.396 13.670 1.00 0.93 C ATOM 0 H THR B 11 -1.235 6.358 11.311 1.00 0.77 H new ATOM 0 HA THR B 11 -0.564 8.525 12.961 1.00 0.81 H new ATOM 0 HB THR B 11 1.255 6.383 11.864 1.00 0.89 H new ATOM 0 HG1 THR B 11 -0.391 5.253 12.799 1.00 0.96 H new ATOM 0 HG21 THR B 11 2.401 6.571 14.049 1.00 0.93 H new ATOM 0 HG22 THR B 11 2.439 8.106 13.149 1.00 0.93 H new ATOM 0 HG23 THR B 11 1.304 7.897 14.503 1.00 0.93 H new ATOM 1673 N MET B 12 0.856 8.575 9.986 1.00 0.74 N ATOM 1674 CA MET B 12 1.656 9.363 9.040 1.00 0.80 C ATOM 1675 C MET B 12 0.931 10.643 8.612 1.00 0.89 C ATOM 1676 O MET B 12 1.546 11.712 8.600 1.00 1.05 O ATOM 1677 CB MET B 12 2.040 8.486 7.836 1.00 0.78 C ATOM 1678 CG MET B 12 2.991 7.364 8.261 1.00 0.77 C ATOM 1679 SD MET B 12 3.172 6.066 7.015 1.00 1.05 S ATOM 1680 CE MET B 12 4.957 6.175 6.748 1.00 0.77 C ATOM 0 H MET B 12 0.460 7.729 9.575 1.00 0.74 H new ATOM 0 HA MET B 12 2.571 9.686 9.537 1.00 0.80 H new ATOM 0 HB2 MET B 12 1.142 8.058 7.391 1.00 0.78 H new ATOM 0 HB3 MET B 12 2.514 9.100 7.070 1.00 0.78 H new ATOM 0 HG2 MET B 12 3.971 7.790 8.476 1.00 0.77 H new ATOM 0 HG3 MET B 12 2.626 6.920 9.187 1.00 0.77 H new ATOM 0 HE1 MET B 12 5.259 5.440 6.002 1.00 0.77 H new ATOM 0 HE2 MET B 12 5.212 7.175 6.397 1.00 0.77 H new ATOM 0 HE3 MET B 12 5.478 5.976 7.685 1.00 0.77 H new ATOM 1690 N VAL B 13 -0.374 10.565 8.331 1.00 0.80 N ATOM 1691 CA VAL B 13 -1.172 11.762 7.992 1.00 0.85 C ATOM 1692 C VAL B 13 -1.391 12.673 9.210 1.00 0.88 C ATOM 1693 O VAL B 13 -1.337 13.890 9.053 1.00 0.97 O ATOM 1694 CB VAL B 13 -2.508 11.467 7.264 1.00 0.86 C ATOM 1695 CG1 VAL B 13 -2.269 10.757 5.920 1.00 0.90 C ATOM 1696 CG2 VAL B 13 -3.517 10.663 8.092 1.00 0.83 C ATOM 0 H VAL B 13 -0.904 9.693 8.330 1.00 0.80 H new ATOM 0 HA VAL B 13 -0.561 12.298 7.266 1.00 0.85 H new ATOM 0 HB VAL B 13 -2.951 12.449 7.096 1.00 0.86 H new ATOM 0 HG11 VAL B 13 -3.226 10.565 5.435 1.00 0.90 H new ATOM 0 HG12 VAL B 13 -1.657 11.391 5.278 1.00 0.90 H new ATOM 0 HG13 VAL B 13 -1.754 9.812 6.094 1.00 0.90 H new ATOM 0 HG21 VAL B 13 -4.422 10.502 7.506 1.00 0.83 H new ATOM 0 HG22 VAL B 13 -3.082 9.700 8.360 1.00 0.83 H new ATOM 0 HG23 VAL B 13 -3.765 11.214 8.999 1.00 0.83 H new ATOM 1706 N THR B 14 -1.557 12.122 10.428 1.00 0.83 N ATOM 1707 CA THR B 14 -1.695 12.911 11.665 1.00 0.90 C ATOM 1708 C THR B 14 -0.395 13.624 12.027 1.00 0.96 C ATOM 1709 O THR B 14 -0.452 14.803 12.375 1.00 1.15 O ATOM 1710 CB THR B 14 -2.169 12.033 12.831 1.00 0.87 C ATOM 1711 OG1 THR B 14 -3.404 11.452 12.495 1.00 1.03 O ATOM 1712 CG2 THR B 14 -2.384 12.830 14.120 1.00 1.14 C ATOM 0 H THR B 14 -1.599 11.114 10.581 1.00 0.83 H new ATOM 0 HA THR B 14 -2.452 13.673 11.478 1.00 0.90 H new ATOM 0 HB THR B 14 -1.391 11.289 13.003 1.00 0.87 H new ATOM 0 HG1 THR B 14 -3.256 10.694 11.891 1.00 1.03 H new ATOM 0 HG21 THR B 14 -2.719 12.159 14.911 1.00 1.14 H new ATOM 0 HG22 THR B 14 -1.447 13.302 14.417 1.00 1.14 H new ATOM 0 HG23 THR B 14 -3.139 13.598 13.951 1.00 1.14 H new ATOM 1720 N THR B 15 0.762 12.965 11.907 1.00 0.88 N ATOM 1721 CA THR B 15 2.069 13.592 12.181 1.00 0.94 C ATOM 1722 C THR B 15 2.407 14.663 11.154 1.00 0.95 C ATOM 1723 O THR B 15 2.782 15.762 11.542 1.00 1.08 O ATOM 1724 CB THR B 15 3.204 12.570 12.318 1.00 0.99 C ATOM 1725 OG1 THR B 15 3.153 11.616 11.287 1.00 1.92 O ATOM 1726 CG2 THR B 15 3.111 11.840 13.653 1.00 1.07 C ATOM 0 H THR B 15 0.824 11.988 11.619 1.00 0.88 H new ATOM 0 HA THR B 15 1.973 14.080 13.151 1.00 0.94 H new ATOM 0 HB THR B 15 4.143 13.121 12.259 1.00 0.99 H new ATOM 0 HG1 THR B 15 2.579 10.870 11.560 1.00 1.92 H new ATOM 0 HG21 THR B 15 3.925 11.119 13.731 1.00 1.07 H new ATOM 0 HG22 THR B 15 3.185 12.560 14.468 1.00 1.07 H new ATOM 0 HG23 THR B 15 2.156 11.318 13.716 1.00 1.07 H new ATOM 1734 N PHE B 16 2.217 14.411 9.863 1.00 0.90 N ATOM 1735 CA PHE B 16 2.479 15.415 8.829 1.00 0.88 C ATOM 1736 C PHE B 16 1.466 16.588 8.881 1.00 0.93 C ATOM 1737 O PHE B 16 1.825 17.737 8.617 1.00 1.11 O ATOM 1738 CB PHE B 16 2.496 14.663 7.488 1.00 0.94 C ATOM 1739 CG PHE B 16 2.994 15.418 6.271 1.00 1.01 C ATOM 1740 CD1 PHE B 16 2.134 16.296 5.594 1.00 1.59 C ATOM 1741 CD2 PHE B 16 4.284 15.171 5.755 1.00 2.09 C ATOM 1742 CE1 PHE B 16 2.557 16.900 4.402 1.00 1.58 C ATOM 1743 CE2 PHE B 16 4.687 15.753 4.535 1.00 2.22 C ATOM 1744 CZ PHE B 16 3.813 16.609 3.850 1.00 1.23 C ATOM 0 H PHE B 16 1.881 13.517 9.503 1.00 0.90 H new ATOM 0 HA PHE B 16 3.440 15.905 8.984 1.00 0.88 H new ATOM 0 HB2 PHE B 16 3.114 13.773 7.609 1.00 0.94 H new ATOM 0 HB3 PHE B 16 1.482 14.321 7.281 1.00 0.94 H new ATOM 0 HD1 PHE B 16 1.151 16.505 5.989 1.00 1.59 H new ATOM 0 HD2 PHE B 16 4.966 14.533 6.297 1.00 2.09 H new ATOM 0 HE1 PHE B 16 1.905 17.600 3.901 1.00 1.58 H new ATOM 0 HE2 PHE B 16 5.665 15.540 4.130 1.00 2.22 H new ATOM 0 HZ PHE B 16 4.105 17.041 2.904 1.00 1.23 H new ATOM 1754 N HIS B 17 0.218 16.334 9.301 1.00 0.82 N ATOM 1755 CA HIS B 17 -0.763 17.371 9.652 1.00 0.74 C ATOM 1756 C HIS B 17 -0.230 18.273 10.780 1.00 0.79 C ATOM 1757 O HIS B 17 -0.265 19.496 10.669 1.00 1.01 O ATOM 1758 CB HIS B 17 -2.119 16.751 10.038 1.00 0.70 C ATOM 1759 CG HIS B 17 -3.159 17.766 10.458 1.00 1.06 C ATOM 1760 ND1 HIS B 17 -3.093 18.620 11.539 1.00 2.03 N ATOM 1761 CD2 HIS B 17 -4.347 18.028 9.827 1.00 1.55 C ATOM 1762 CE1 HIS B 17 -4.186 19.400 11.536 1.00 2.49 C ATOM 1763 NE2 HIS B 17 -4.981 19.072 10.510 1.00 2.13 N ATOM 0 H HIS B 17 -0.144 15.386 9.408 1.00 0.82 H new ATOM 0 HA HIS B 17 -0.921 17.990 8.769 1.00 0.74 H new ATOM 0 HB2 HIS B 17 -2.502 16.182 9.191 1.00 0.70 H new ATOM 0 HB3 HIS B 17 -1.965 16.044 10.853 1.00 0.70 H new ATOM 0 HD1 HIS B 17 -2.340 18.653 12.226 1.00 2.03 H new ATOM 0 HD2 HIS B 17 -4.728 17.518 8.955 1.00 1.55 H new ATOM 0 HE1 HIS B 17 -4.393 20.178 12.256 1.00 2.49 H new ATOM 1772 N LYS B 18 0.274 17.687 11.869 1.00 0.77 N ATOM 1773 CA LYS B 18 0.771 18.393 13.062 1.00 0.83 C ATOM 1774 C LYS B 18 1.874 19.449 12.786 1.00 0.78 C ATOM 1775 O LYS B 18 2.102 20.306 13.636 1.00 0.98 O ATOM 1776 CB LYS B 18 1.210 17.315 14.069 1.00 1.02 C ATOM 1777 CG LYS B 18 1.478 17.788 15.509 1.00 1.23 C ATOM 1778 CD LYS B 18 2.954 17.573 15.861 1.00 2.10 C ATOM 1779 CE LYS B 18 3.251 17.742 17.351 1.00 3.13 C ATOM 1780 NZ LYS B 18 4.614 17.242 17.651 1.00 4.22 N ATOM 0 H LYS B 18 0.352 16.673 11.951 1.00 0.77 H new ATOM 0 HA LYS B 18 -0.034 19.004 13.470 1.00 0.83 H new ATOM 0 HB2 LYS B 18 0.440 16.544 14.101 1.00 1.02 H new ATOM 0 HB3 LYS B 18 2.117 16.844 13.690 1.00 1.02 H new ATOM 0 HG2 LYS B 18 1.221 18.843 15.609 1.00 1.23 H new ATOM 0 HG3 LYS B 18 0.845 17.238 16.206 1.00 1.23 H new ATOM 0 HD2 LYS B 18 3.253 16.572 15.549 1.00 2.10 H new ATOM 0 HD3 LYS B 18 3.562 18.278 15.294 1.00 2.10 H new ATOM 0 HE2 LYS B 18 3.169 18.792 17.631 1.00 3.13 H new ATOM 0 HE3 LYS B 18 2.515 17.197 17.942 1.00 3.13 H new ATOM 0 HZ1 LYS B 18 4.877 17.511 18.621 1.00 4.22 H new ATOM 0 HZ2 LYS B 18 4.631 16.206 17.562 1.00 4.22 H new ATOM 0 HZ3 LYS B 18 5.292 17.658 16.981 1.00 4.22 H new ATOM 1794 N TYR B 19 2.517 19.432 11.611 1.00 0.65 N ATOM 1795 CA TYR B 19 3.471 20.462 11.164 1.00 0.65 C ATOM 1796 C TYR B 19 3.022 21.255 9.910 1.00 0.77 C ATOM 1797 O TYR B 19 3.622 22.285 9.625 1.00 1.34 O ATOM 1798 CB TYR B 19 4.850 19.817 10.949 1.00 0.64 C ATOM 1799 CG TYR B 19 5.496 19.274 12.208 1.00 0.64 C ATOM 1800 CD1 TYR B 19 5.085 18.027 12.710 1.00 1.64 C ATOM 1801 CD2 TYR B 19 6.486 20.008 12.892 1.00 2.01 C ATOM 1802 CE1 TYR B 19 5.607 17.527 13.911 1.00 1.61 C ATOM 1803 CE2 TYR B 19 7.011 19.523 14.106 1.00 2.12 C ATOM 1804 CZ TYR B 19 6.550 18.293 14.630 1.00 0.84 C ATOM 1805 OH TYR B 19 6.997 17.877 15.842 1.00 1.03 O ATOM 0 H TYR B 19 2.387 18.686 10.928 1.00 0.65 H new ATOM 0 HA TYR B 19 3.520 21.208 11.957 1.00 0.65 H new ATOM 0 HB2 TYR B 19 4.748 19.005 10.229 1.00 0.64 H new ATOM 0 HB3 TYR B 19 5.517 20.556 10.504 1.00 0.64 H new ATOM 0 HD1 TYR B 19 4.357 17.446 12.163 1.00 1.64 H new ATOM 0 HD2 TYR B 19 6.842 20.943 12.485 1.00 2.01 H new ATOM 0 HE1 TYR B 19 5.290 16.564 14.283 1.00 1.61 H new ATOM 0 HE2 TYR B 19 7.763 20.089 14.635 1.00 2.12 H new ATOM 0 HH TYR B 19 6.982 16.898 15.878 1.00 1.03 H new ATOM 1815 N SER B 20 1.970 20.847 9.195 1.00 0.73 N ATOM 1816 CA SER B 20 1.378 21.598 8.058 1.00 0.75 C ATOM 1817 C SER B 20 0.231 22.515 8.513 1.00 0.93 C ATOM 1818 O SER B 20 0.242 23.718 8.233 1.00 1.48 O ATOM 1819 CB SER B 20 0.873 20.643 6.958 1.00 0.87 C ATOM 1820 OG SER B 20 0.157 19.537 7.461 1.00 1.43 O ATOM 0 H SER B 20 1.488 19.969 9.385 1.00 0.73 H new ATOM 0 HA SER B 20 2.173 22.221 7.648 1.00 0.75 H new ATOM 0 HB2 SER B 20 0.234 21.198 6.271 1.00 0.87 H new ATOM 0 HB3 SER B 20 1.725 20.283 6.381 1.00 0.87 H new ATOM 0 HG SER B 20 0.785 18.880 7.828 1.00 1.43 H new ATOM 1826 N GLY B 21 -0.680 21.998 9.353 1.00 0.95 N ATOM 1827 CA GLY B 21 -1.680 22.780 10.098 1.00 1.17 C ATOM 1828 C GLY B 21 -1.079 23.738 11.137 1.00 1.38 C ATOM 1829 O GLY B 21 -1.818 24.396 11.861 1.00 1.73 O ATOM 0 H GLY B 21 -0.743 20.997 9.538 1.00 0.95 H new ATOM 0 HA2 GLY B 21 -2.276 23.356 9.390 1.00 1.17 H new ATOM 0 HA3 GLY B 21 -2.360 22.094 10.603 1.00 1.17 H new ATOM 1832 N ARG B 22 0.259 23.834 11.169 1.00 1.58 N ATOM 1833 CA ARG B 22 1.046 24.921 11.753 1.00 1.95 C ATOM 1834 C ARG B 22 0.665 26.294 11.168 1.00 2.17 C ATOM 1835 O ARG B 22 0.669 27.276 11.904 1.00 2.78 O ATOM 1836 CB ARG B 22 2.526 24.609 11.508 1.00 2.07 C ATOM 1837 CG ARG B 22 3.460 25.484 12.351 1.00 2.24 C ATOM 1838 CD ARG B 22 4.932 25.198 12.022 1.00 2.33 C ATOM 1839 NE ARG B 22 5.268 25.523 10.631 1.00 3.01 N ATOM 1840 CZ ARG B 22 5.292 26.725 10.074 1.00 3.99 C ATOM 1841 NH1 ARG B 22 5.092 27.841 10.738 1.00 4.50 N ATOM 1842 NH2 ARG B 22 5.481 26.844 8.789 1.00 5.29 N ATOM 0 H ARG B 22 0.852 23.110 10.763 1.00 1.58 H new ATOM 0 HA ARG B 22 0.840 24.984 12.822 1.00 1.95 H new ATOM 0 HB2 ARG B 22 2.715 23.560 11.734 1.00 2.07 H new ATOM 0 HB3 ARG B 22 2.754 24.753 10.452 1.00 2.07 H new ATOM 0 HG2 ARG B 22 3.241 26.536 12.168 1.00 2.24 H new ATOM 0 HG3 ARG B 22 3.278 25.300 13.410 1.00 2.24 H new ATOM 0 HD2 ARG B 22 5.570 25.775 12.691 1.00 2.33 H new ATOM 0 HD3 ARG B 22 5.145 24.145 12.208 1.00 2.33 H new ATOM 0 HE ARG B 22 5.510 24.738 10.027 1.00 3.01 H new ATOM 0 HH11 ARG B 22 4.905 27.812 11.740 1.00 4.50 H new ATOM 0 HH12 ARG B 22 5.123 28.737 10.251 1.00 4.50 H new ATOM 0 HH21 ARG B 22 5.610 26.012 8.213 1.00 5.29 H new ATOM 0 HH22 ARG B 22 5.500 27.769 8.360 1.00 5.29 H new ATOM 1856 N GLU B 23 0.328 26.343 9.872 1.00 2.01 N ATOM 1857 CA GLU B 23 -0.168 27.546 9.181 1.00 2.61 C ATOM 1858 C GLU B 23 -1.263 27.271 8.131 1.00 2.78 C ATOM 1859 O GLU B 23 -2.232 28.027 8.076 1.00 3.70 O ATOM 1860 CB GLU B 23 0.987 28.284 8.475 1.00 2.90 C ATOM 1861 CG GLU B 23 1.916 29.033 9.437 1.00 3.53 C ATOM 1862 CD GLU B 23 3.000 29.793 8.677 1.00 4.18 C ATOM 1863 OE1 GLU B 23 2.715 30.917 8.217 1.00 5.13 O ATOM 1864 OE2 GLU B 23 4.129 29.249 8.598 1.00 4.59 O ATOM 0 H GLU B 23 0.393 25.530 9.259 1.00 2.01 H new ATOM 0 HA GLU B 23 -0.610 28.154 9.970 1.00 2.61 H new ATOM 0 HB2 GLU B 23 1.573 27.563 7.905 1.00 2.90 H new ATOM 0 HB3 GLU B 23 0.570 28.993 7.760 1.00 2.90 H new ATOM 0 HG2 GLU B 23 1.334 29.730 10.040 1.00 3.53 H new ATOM 0 HG3 GLU B 23 2.379 28.325 10.125 1.00 3.53 H new ATOM 1871 N GLY B 24 -1.121 26.252 7.270 1.00 2.88 N ATOM 1872 CA GLY B 24 -1.823 26.220 5.976 1.00 2.91 C ATOM 1873 C GLY B 24 -2.395 24.872 5.549 1.00 2.78 C ATOM 1874 O GLY B 24 -3.015 24.156 6.331 1.00 3.92 O ATOM 0 H GLY B 24 -0.528 25.441 7.445 1.00 2.88 H new ATOM 0 HA2 GLY B 24 -2.639 26.942 6.012 1.00 2.91 H new ATOM 0 HA3 GLY B 24 -1.132 26.558 5.204 1.00 2.91 H new ATOM 1877 N SER B 25 -2.247 24.566 4.261 1.00 2.11 N ATOM 1878 CA SER B 25 -2.790 23.382 3.593 1.00 2.08 C ATOM 1879 C SER B 25 -2.339 22.092 4.284 1.00 1.74 C ATOM 1880 O SER B 25 -1.206 21.667 4.136 1.00 1.97 O ATOM 1881 CB SER B 25 -2.358 23.396 2.111 1.00 2.50 C ATOM 1882 OG SER B 25 -1.071 23.987 1.927 1.00 2.46 O ATOM 0 H SER B 25 -1.721 25.164 3.624 1.00 2.11 H new ATOM 0 HA SER B 25 -3.878 23.410 3.653 1.00 2.08 H new ATOM 0 HB2 SER B 25 -2.344 22.375 1.729 1.00 2.50 H new ATOM 0 HB3 SER B 25 -3.095 23.946 1.525 1.00 2.50 H new ATOM 0 HG SER B 25 -0.431 23.298 1.651 1.00 2.46 H new ATOM 1888 N LYS B 26 -3.236 21.419 5.016 1.00 1.66 N ATOM 1889 CA LYS B 26 -2.953 20.273 5.905 1.00 1.49 C ATOM 1890 C LYS B 26 -2.413 18.993 5.207 1.00 1.37 C ATOM 1891 O LYS B 26 -2.378 17.923 5.817 1.00 1.51 O ATOM 1892 CB LYS B 26 -4.243 20.000 6.703 1.00 1.72 C ATOM 1893 CG LYS B 26 -4.544 21.118 7.724 1.00 2.12 C ATOM 1894 CD LYS B 26 -6.015 21.194 8.152 1.00 2.50 C ATOM 1895 CE LYS B 26 -6.898 21.626 6.975 1.00 1.96 C ATOM 1896 NZ LYS B 26 -8.220 22.122 7.414 1.00 2.79 N ATOM 0 H LYS B 26 -4.226 21.666 5.008 1.00 1.66 H new ATOM 0 HA LYS B 26 -2.122 20.547 6.555 1.00 1.49 H new ATOM 0 HB2 LYS B 26 -5.082 19.905 6.013 1.00 1.72 H new ATOM 0 HB3 LYS B 26 -4.150 19.048 7.226 1.00 1.72 H new ATOM 0 HG2 LYS B 26 -3.927 20.963 8.609 1.00 2.12 H new ATOM 0 HG3 LYS B 26 -4.251 22.076 7.295 1.00 2.12 H new ATOM 0 HD2 LYS B 26 -6.342 20.222 8.522 1.00 2.50 H new ATOM 0 HD3 LYS B 26 -6.124 21.901 8.974 1.00 2.50 H new ATOM 0 HE2 LYS B 26 -6.389 22.407 6.410 1.00 1.96 H new ATOM 0 HE3 LYS B 26 -7.036 20.782 6.299 1.00 1.96 H new ATOM 0 HZ1 LYS B 26 -8.838 22.241 6.586 1.00 2.79 H new ATOM 0 HZ2 LYS B 26 -8.647 21.437 8.070 1.00 2.79 H new ATOM 0 HZ3 LYS B 26 -8.105 23.037 7.895 1.00 2.79 H new ATOM 1910 N LEU B 27 -2.023 19.103 3.932 1.00 1.26 N ATOM 1911 CA LEU B 27 -1.403 18.076 3.095 1.00 1.20 C ATOM 1912 C LEU B 27 -0.047 18.492 2.484 1.00 1.02 C ATOM 1913 O LEU B 27 0.600 17.625 1.903 1.00 1.00 O ATOM 1914 CB LEU B 27 -2.399 17.671 1.988 1.00 1.58 C ATOM 1915 CG LEU B 27 -3.720 17.033 2.473 1.00 2.31 C ATOM 1916 CD1 LEU B 27 -4.641 16.838 1.263 1.00 2.56 C ATOM 1917 CD2 LEU B 27 -3.502 15.685 3.179 1.00 3.14 C ATOM 0 H LEU B 27 -2.143 19.979 3.423 1.00 1.26 H new ATOM 0 HA LEU B 27 -1.174 17.229 3.741 1.00 1.20 H new ATOM 0 HB2 LEU B 27 -2.640 18.557 1.400 1.00 1.58 H new ATOM 0 HB3 LEU B 27 -1.903 16.969 1.318 1.00 1.58 H new ATOM 0 HG LEU B 27 -4.170 17.704 3.204 1.00 2.31 H new ATOM 0 HD11 LEU B 27 -5.579 16.388 1.588 1.00 2.56 H new ATOM 0 HD12 LEU B 27 -4.843 17.804 0.800 1.00 2.56 H new ATOM 0 HD13 LEU B 27 -4.157 16.183 0.539 1.00 2.56 H new ATOM 0 HD21 LEU B 27 -4.463 15.282 3.499 1.00 3.14 H new ATOM 0 HD22 LEU B 27 -3.027 14.986 2.491 1.00 3.14 H new ATOM 0 HD23 LEU B 27 -2.862 15.829 4.049 1.00 3.14 H new ATOM 1929 N THR B 28 0.431 19.739 2.655 1.00 1.04 N ATOM 1930 CA THR B 28 1.804 20.182 2.305 1.00 0.99 C ATOM 1931 C THR B 28 2.445 21.002 3.430 1.00 1.01 C ATOM 1932 O THR B 28 1.748 21.563 4.270 1.00 1.13 O ATOM 1933 CB THR B 28 1.846 20.989 0.994 1.00 1.09 C ATOM 1934 OG1 THR B 28 1.080 22.173 1.088 1.00 1.18 O ATOM 1935 CG2 THR B 28 1.348 20.184 -0.207 1.00 1.18 C ATOM 0 H THR B 28 -0.137 20.489 3.050 1.00 1.04 H new ATOM 0 HA THR B 28 2.380 19.268 2.163 1.00 0.99 H new ATOM 0 HB THR B 28 2.896 21.238 0.839 1.00 1.09 H new ATOM 0 HG1 THR B 28 1.623 22.938 0.804 1.00 1.18 H new ATOM 0 HG21 THR B 28 1.399 20.800 -1.105 1.00 1.18 H new ATOM 0 HG22 THR B 28 1.973 19.301 -0.337 1.00 1.18 H new ATOM 0 HG23 THR B 28 0.316 19.876 -0.036 1.00 1.18 H new ATOM 1943 N LEU B 29 3.779 21.074 3.474 1.00 0.94 N ATOM 1944 CA LEU B 29 4.557 21.924 4.404 1.00 0.99 C ATOM 1945 C LEU B 29 5.992 22.099 3.926 1.00 0.91 C ATOM 1946 O LEU B 29 6.418 21.414 3.000 1.00 0.90 O ATOM 1947 CB LEU B 29 4.556 21.403 5.862 1.00 1.07 C ATOM 1948 CG LEU B 29 5.538 20.258 6.195 1.00 1.03 C ATOM 1949 CD1 LEU B 29 5.378 19.894 7.670 1.00 1.26 C ATOM 1950 CD2 LEU B 29 5.315 18.989 5.376 1.00 1.02 C ATOM 0 H LEU B 29 4.372 20.529 2.848 1.00 0.94 H new ATOM 0 HA LEU B 29 4.052 22.890 4.404 1.00 0.99 H new ATOM 0 HB2 LEU B 29 4.776 22.242 6.522 1.00 1.07 H new ATOM 0 HB3 LEU B 29 3.548 21.065 6.101 1.00 1.07 H new ATOM 0 HG LEU B 29 6.535 20.627 5.955 1.00 1.03 H new ATOM 0 HD11 LEU B 29 6.065 19.086 7.922 1.00 1.26 H new ATOM 0 HD12 LEU B 29 5.601 20.765 8.286 1.00 1.26 H new ATOM 0 HD13 LEU B 29 4.354 19.571 7.856 1.00 1.26 H new ATOM 0 HD21 LEU B 29 6.044 18.234 5.669 1.00 1.02 H new ATOM 0 HD22 LEU B 29 4.309 18.611 5.557 1.00 1.02 H new ATOM 0 HD23 LEU B 29 5.433 19.215 4.316 1.00 1.02 H new ATOM 1962 N SER B 30 6.769 22.966 4.573 1.00 0.89 N ATOM 1963 CA SER B 30 8.161 23.184 4.180 1.00 0.86 C ATOM 1964 C SER B 30 9.087 21.969 4.418 1.00 0.94 C ATOM 1965 O SER B 30 9.083 21.310 5.466 1.00 0.85 O ATOM 1966 CB SER B 30 8.761 24.478 4.764 1.00 0.89 C ATOM 1967 OG SER B 30 7.898 25.166 5.643 1.00 2.17 O ATOM 0 H SER B 30 6.461 23.527 5.368 1.00 0.89 H new ATOM 0 HA SER B 30 8.112 23.313 3.099 1.00 0.86 H new ATOM 0 HB2 SER B 30 9.682 24.233 5.293 1.00 0.89 H new ATOM 0 HB3 SER B 30 9.033 25.143 3.944 1.00 0.89 H new ATOM 0 HG SER B 30 8.316 25.232 6.527 1.00 2.17 H new ATOM 1973 N ARG B 31 9.993 21.759 3.458 1.00 1.15 N ATOM 1974 CA ARG B 31 11.178 20.891 3.548 1.00 1.10 C ATOM 1975 C ARG B 31 11.996 21.138 4.837 1.00 1.02 C ATOM 1976 O ARG B 31 12.637 20.230 5.368 1.00 0.98 O ATOM 1977 CB ARG B 31 11.994 21.142 2.260 1.00 1.37 C ATOM 1978 CG ARG B 31 13.120 20.129 2.009 1.00 1.58 C ATOM 1979 CD ARG B 31 13.766 20.317 0.626 1.00 1.28 C ATOM 1980 NE ARG B 31 14.310 19.053 0.080 1.00 1.88 N ATOM 1981 CZ ARG B 31 13.649 18.210 -0.703 1.00 2.07 C ATOM 1982 NH1 ARG B 31 12.521 18.559 -1.268 1.00 2.25 N ATOM 1983 NH2 ARG B 31 14.112 17.002 -0.929 1.00 2.82 N ATOM 0 H ARG B 31 9.918 22.213 2.548 1.00 1.15 H new ATOM 0 HA ARG B 31 10.889 19.843 3.618 1.00 1.10 H new ATOM 0 HB2 ARG B 31 11.315 21.129 1.407 1.00 1.37 H new ATOM 0 HB3 ARG B 31 12.426 22.141 2.309 1.00 1.37 H new ATOM 0 HG2 ARG B 31 13.881 20.234 2.782 1.00 1.58 H new ATOM 0 HG3 ARG B 31 12.722 19.117 2.089 1.00 1.58 H new ATOM 0 HD2 ARG B 31 13.026 20.720 -0.066 1.00 1.28 H new ATOM 0 HD3 ARG B 31 14.567 21.052 0.699 1.00 1.28 H new ATOM 0 HE ARG B 31 15.270 18.811 0.325 1.00 1.88 H new ATOM 0 HH11 ARG B 31 12.138 19.491 -1.109 1.00 2.25 H new ATOM 0 HH12 ARG B 31 12.025 17.899 -1.867 1.00 2.25 H new ATOM 0 HH21 ARG B 31 14.988 16.703 -0.501 1.00 2.82 H new ATOM 0 HH22 ARG B 31 13.595 16.362 -1.533 1.00 2.82 H new ATOM 1997 N LYS B 32 11.956 22.366 5.368 1.00 1.09 N ATOM 1998 CA LYS B 32 12.469 22.719 6.701 1.00 1.12 C ATOM 1999 C LYS B 32 11.752 21.961 7.840 1.00 0.96 C ATOM 2000 O LYS B 32 12.419 21.201 8.537 1.00 1.11 O ATOM 2001 CB LYS B 32 12.450 24.259 6.845 1.00 1.41 C ATOM 2002 CG LYS B 32 13.878 24.838 6.816 1.00 1.74 C ATOM 2003 CD LYS B 32 13.945 26.257 6.233 1.00 2.98 C ATOM 2004 CE LYS B 32 15.366 26.813 6.404 1.00 3.38 C ATOM 2005 NZ LYS B 32 15.653 27.911 5.453 1.00 4.86 N ATOM 0 H LYS B 32 11.557 23.163 4.872 1.00 1.09 H new ATOM 0 HA LYS B 32 13.503 22.387 6.796 1.00 1.12 H new ATOM 0 HB2 LYS B 32 11.861 24.695 6.038 1.00 1.41 H new ATOM 0 HB3 LYS B 32 11.962 24.534 7.780 1.00 1.41 H new ATOM 0 HG2 LYS B 32 14.279 24.850 7.830 1.00 1.74 H new ATOM 0 HG3 LYS B 32 14.518 24.180 6.228 1.00 1.74 H new ATOM 0 HD2 LYS B 32 13.674 26.241 5.177 1.00 2.98 H new ATOM 0 HD3 LYS B 32 13.227 26.903 6.737 1.00 2.98 H new ATOM 0 HE2 LYS B 32 15.493 27.175 7.424 1.00 3.38 H new ATOM 0 HE3 LYS B 32 16.089 26.010 6.259 1.00 3.38 H new ATOM 0 HZ1 LYS B 32 16.348 28.561 5.873 1.00 4.86 H new ATOM 0 HZ2 LYS B 32 16.038 27.515 4.572 1.00 4.86 H new ATOM 0 HZ3 LYS B 32 14.775 28.429 5.246 1.00 4.86 H new ATOM 2019 N GLU B 33 10.428 22.061 8.004 1.00 0.79 N ATOM 2020 CA GLU B 33 9.698 21.271 9.008 1.00 0.72 C ATOM 2021 C GLU B 33 9.861 19.762 8.836 1.00 0.68 C ATOM 2022 O GLU B 33 9.950 19.070 9.848 1.00 0.73 O ATOM 2023 CB GLU B 33 8.191 21.548 9.000 1.00 0.99 C ATOM 2024 CG GLU B 33 7.803 22.891 9.607 1.00 1.04 C ATOM 2025 CD GLU B 33 7.733 23.958 8.531 1.00 2.64 C ATOM 2026 OE1 GLU B 33 8.771 24.292 7.915 1.00 3.98 O ATOM 2027 OE2 GLU B 33 6.606 24.418 8.274 1.00 3.56 O ATOM 0 H GLU B 33 9.836 22.683 7.453 1.00 0.79 H new ATOM 0 HA GLU B 33 10.146 21.589 9.949 1.00 0.72 H new ATOM 0 HB2 GLU B 33 7.830 21.508 7.972 1.00 0.99 H new ATOM 0 HB3 GLU B 33 7.683 20.754 9.547 1.00 0.99 H new ATOM 0 HG2 GLU B 33 6.838 22.806 10.107 1.00 1.04 H new ATOM 0 HG3 GLU B 33 8.531 23.178 10.366 1.00 1.04 H new ATOM 2034 N LEU B 34 9.949 19.237 7.605 1.00 0.65 N ATOM 2035 CA LEU B 34 10.206 17.805 7.425 1.00 0.66 C ATOM 2036 C LEU B 34 11.498 17.387 8.143 1.00 0.66 C ATOM 2037 O LEU B 34 11.515 16.370 8.831 1.00 0.70 O ATOM 2038 CB LEU B 34 10.211 17.439 5.928 1.00 0.70 C ATOM 2039 CG LEU B 34 10.506 15.941 5.678 1.00 0.76 C ATOM 2040 CD1 LEU B 34 9.466 15.012 6.317 1.00 1.03 C ATOM 2041 CD2 LEU B 34 10.564 15.638 4.179 1.00 1.04 C ATOM 0 H LEU B 34 9.849 19.769 6.740 1.00 0.65 H new ATOM 0 HA LEU B 34 9.396 17.240 7.886 1.00 0.66 H new ATOM 0 HB2 LEU B 34 9.244 17.691 5.494 1.00 0.70 H new ATOM 0 HB3 LEU B 34 10.959 18.043 5.414 1.00 0.70 H new ATOM 0 HG LEU B 34 11.472 15.750 6.145 1.00 0.76 H new ATOM 0 HD11 LEU B 34 9.727 13.975 6.107 1.00 1.03 H new ATOM 0 HD12 LEU B 34 9.450 15.171 7.395 1.00 1.03 H new ATOM 0 HD13 LEU B 34 8.481 15.229 5.903 1.00 1.03 H new ATOM 0 HD21 LEU B 34 10.773 14.579 4.030 1.00 1.04 H new ATOM 0 HD22 LEU B 34 9.607 15.888 3.720 1.00 1.04 H new ATOM 0 HD23 LEU B 34 11.353 16.232 3.718 1.00 1.04 H new ATOM 2053 N LYS B 35 12.575 18.178 8.066 1.00 0.70 N ATOM 2054 CA LYS B 35 13.816 17.825 8.769 1.00 0.77 C ATOM 2055 C LYS B 35 13.662 17.900 10.298 1.00 0.79 C ATOM 2056 O LYS B 35 14.261 17.100 11.015 1.00 0.86 O ATOM 2057 CB LYS B 35 15.013 18.608 8.194 1.00 0.91 C ATOM 2058 CG LYS B 35 15.512 19.816 9.010 1.00 1.39 C ATOM 2059 CD LYS B 35 16.732 20.443 8.330 1.00 1.75 C ATOM 2060 CE LYS B 35 17.986 19.584 8.562 1.00 2.03 C ATOM 2061 NZ LYS B 35 19.023 19.814 7.534 1.00 3.14 N ATOM 0 H LYS B 35 12.615 19.049 7.536 1.00 0.70 H new ATOM 0 HA LYS B 35 14.038 16.774 8.581 1.00 0.77 H new ATOM 0 HB2 LYS B 35 15.845 17.914 8.071 1.00 0.91 H new ATOM 0 HB3 LYS B 35 14.742 18.960 7.199 1.00 0.91 H new ATOM 0 HG2 LYS B 35 14.717 20.556 9.102 1.00 1.39 H new ATOM 0 HG3 LYS B 35 15.772 19.500 10.020 1.00 1.39 H new ATOM 0 HD2 LYS B 35 16.547 20.543 7.261 1.00 1.75 H new ATOM 0 HD3 LYS B 35 16.896 21.447 8.721 1.00 1.75 H new ATOM 0 HE2 LYS B 35 18.398 19.806 9.546 1.00 2.03 H new ATOM 0 HE3 LYS B 35 17.707 18.530 8.563 1.00 2.03 H new ATOM 0 HZ1 LYS B 35 19.951 19.909 7.993 1.00 3.14 H new ATOM 0 HZ2 LYS B 35 19.043 19.009 6.875 1.00 3.14 H new ATOM 0 HZ3 LYS B 35 18.805 20.685 7.010 1.00 3.14 H new ATOM 2075 N GLU B 36 12.825 18.811 10.801 1.00 0.76 N ATOM 2076 CA GLU B 36 12.448 18.817 12.212 1.00 0.77 C ATOM 2077 C GLU B 36 11.668 17.545 12.595 1.00 0.82 C ATOM 2078 O GLU B 36 11.985 16.934 13.617 1.00 0.93 O ATOM 2079 CB GLU B 36 11.688 20.104 12.586 1.00 0.79 C ATOM 2080 CG GLU B 36 11.257 19.958 14.047 1.00 1.13 C ATOM 2081 CD GLU B 36 10.944 21.225 14.816 1.00 2.22 C ATOM 2082 OE1 GLU B 36 11.889 21.951 15.171 1.00 2.75 O ATOM 2083 OE2 GLU B 36 9.890 21.195 15.485 1.00 3.54 O ATOM 0 H GLU B 36 12.396 19.554 10.249 1.00 0.76 H new ATOM 0 HA GLU B 36 13.366 18.810 12.800 1.00 0.77 H new ATOM 0 HB2 GLU B 36 12.324 20.979 12.457 1.00 0.79 H new ATOM 0 HB3 GLU B 36 10.821 20.242 11.940 1.00 0.79 H new ATOM 0 HG2 GLU B 36 10.373 19.321 14.074 1.00 1.13 H new ATOM 0 HG3 GLU B 36 12.047 19.429 14.579 1.00 1.13 H new ATOM 2090 N LEU B 37 10.701 17.112 11.775 1.00 0.87 N ATOM 2091 CA LEU B 37 9.839 15.950 12.022 1.00 0.99 C ATOM 2092 C LEU B 37 10.653 14.691 12.360 1.00 1.05 C ATOM 2093 O LEU B 37 10.310 13.946 13.278 1.00 1.09 O ATOM 2094 CB LEU B 37 8.986 15.728 10.755 1.00 1.14 C ATOM 2095 CG LEU B 37 7.845 14.702 10.878 1.00 0.95 C ATOM 2096 CD1 LEU B 37 6.678 15.279 11.675 1.00 1.04 C ATOM 2097 CD2 LEU B 37 7.339 14.341 9.476 1.00 1.55 C ATOM 0 H LEU B 37 10.491 17.577 10.892 1.00 0.87 H new ATOM 0 HA LEU B 37 9.204 16.143 12.887 1.00 0.99 H new ATOM 0 HB2 LEU B 37 8.556 16.685 10.459 1.00 1.14 H new ATOM 0 HB3 LEU B 37 9.647 15.411 9.948 1.00 1.14 H new ATOM 0 HG LEU B 37 8.230 13.821 11.392 1.00 0.95 H new ATOM 0 HD11 LEU B 37 5.884 14.535 11.748 1.00 1.04 H new ATOM 0 HD12 LEU B 37 7.018 15.547 12.675 1.00 1.04 H new ATOM 0 HD13 LEU B 37 6.297 16.167 11.171 1.00 1.04 H new ATOM 0 HD21 LEU B 37 6.531 13.614 9.557 1.00 1.55 H new ATOM 0 HD22 LEU B 37 6.971 15.239 8.979 1.00 1.55 H new ATOM 0 HD23 LEU B 37 8.155 13.913 8.894 1.00 1.55 H new ATOM 2109 N ILE B 38 11.768 14.492 11.655 1.00 1.14 N ATOM 2110 CA ILE B 38 12.694 13.353 11.791 1.00 1.38 C ATOM 2111 C ILE B 38 13.467 13.350 13.125 1.00 1.37 C ATOM 2112 O ILE B 38 13.862 12.286 13.586 1.00 1.73 O ATOM 2113 CB ILE B 38 13.599 13.300 10.531 1.00 1.51 C ATOM 2114 CG1 ILE B 38 12.732 13.048 9.269 1.00 1.57 C ATOM 2115 CG2 ILE B 38 14.695 12.219 10.615 1.00 2.08 C ATOM 2116 CD1 ILE B 38 13.365 13.637 8.006 1.00 1.75 C ATOM 0 H ILE B 38 12.070 15.150 10.937 1.00 1.14 H new ATOM 0 HA ILE B 38 12.121 12.427 11.840 1.00 1.38 H new ATOM 0 HB ILE B 38 14.101 14.266 10.469 1.00 1.51 H new ATOM 0 HG12 ILE B 38 12.590 11.976 9.136 1.00 1.57 H new ATOM 0 HG13 ILE B 38 11.744 13.485 9.416 1.00 1.57 H new ATOM 0 HG21 ILE B 38 15.292 12.235 9.703 1.00 2.08 H new ATOM 0 HG22 ILE B 38 15.337 12.418 11.473 1.00 2.08 H new ATOM 0 HG23 ILE B 38 14.232 11.239 10.728 1.00 2.08 H new ATOM 0 HD11 ILE B 38 12.722 13.436 7.149 1.00 1.75 H new ATOM 0 HD12 ILE B 38 13.483 14.714 8.126 1.00 1.75 H new ATOM 0 HD13 ILE B 38 14.342 13.181 7.842 1.00 1.75 H new ATOM 2128 N LYS B 39 13.669 14.498 13.784 1.00 1.08 N ATOM 2129 CA LYS B 39 14.193 14.624 15.145 1.00 1.09 C ATOM 2130 C LYS B 39 13.145 14.989 16.230 1.00 1.06 C ATOM 2131 O LYS B 39 13.519 15.182 17.388 1.00 1.34 O ATOM 2132 CB LYS B 39 15.362 15.633 15.092 1.00 1.23 C ATOM 2133 CG LYS B 39 16.719 14.918 15.057 1.00 1.51 C ATOM 2134 CD LYS B 39 17.204 14.395 13.693 1.00 1.82 C ATOM 2135 CE LYS B 39 18.153 13.174 13.742 1.00 2.35 C ATOM 2136 NZ LYS B 39 19.295 13.268 14.693 1.00 2.90 N ATOM 0 H LYS B 39 13.462 15.403 13.362 1.00 1.08 H new ATOM 0 HA LYS B 39 14.532 13.640 15.470 1.00 1.09 H new ATOM 0 HB2 LYS B 39 15.259 16.265 14.210 1.00 1.23 H new ATOM 0 HB3 LYS B 39 15.317 16.289 15.961 1.00 1.23 H new ATOM 0 HG2 LYS B 39 17.473 15.605 15.443 1.00 1.51 H new ATOM 0 HG3 LYS B 39 16.674 14.074 15.746 1.00 1.51 H new ATOM 0 HD2 LYS B 39 16.332 14.130 13.095 1.00 1.82 H new ATOM 0 HD3 LYS B 39 17.713 15.207 13.173 1.00 1.82 H new ATOM 0 HE2 LYS B 39 17.565 12.293 13.999 1.00 2.35 H new ATOM 0 HE3 LYS B 39 18.553 13.010 12.741 1.00 2.35 H new ATOM 0 HZ1 LYS B 39 19.842 12.384 14.667 1.00 2.90 H new ATOM 0 HZ2 LYS B 39 19.908 14.063 14.422 1.00 2.90 H new ATOM 0 HZ3 LYS B 39 18.933 13.422 15.656 1.00 2.90 H new ATOM 2150 N LYS B 40 11.857 15.129 15.884 1.00 0.93 N ATOM 2151 CA LYS B 40 10.751 15.310 16.843 1.00 1.04 C ATOM 2152 C LYS B 40 9.866 14.064 16.997 1.00 1.09 C ATOM 2153 O LYS B 40 9.722 13.545 18.102 1.00 1.28 O ATOM 2154 CB LYS B 40 9.873 16.497 16.407 1.00 1.13 C ATOM 2155 CG LYS B 40 10.487 17.891 16.583 1.00 1.38 C ATOM 2156 CD LYS B 40 10.813 18.209 18.040 1.00 1.47 C ATOM 2157 CE LYS B 40 10.667 19.696 18.411 1.00 1.90 C ATOM 2158 NZ LYS B 40 11.542 20.616 17.644 1.00 2.30 N ATOM 0 H LYS B 40 11.546 15.120 14.913 1.00 0.93 H new ATOM 0 HA LYS B 40 11.212 15.499 17.812 1.00 1.04 H new ATOM 0 HB2 LYS B 40 9.616 16.366 15.356 1.00 1.13 H new ATOM 0 HB3 LYS B 40 8.941 16.459 16.970 1.00 1.13 H new ATOM 0 HG2 LYS B 40 11.397 17.961 15.987 1.00 1.38 H new ATOM 0 HG3 LYS B 40 9.795 18.640 16.197 1.00 1.38 H new ATOM 0 HD2 LYS B 40 10.159 17.620 18.683 1.00 1.47 H new ATOM 0 HD3 LYS B 40 11.835 17.893 18.249 1.00 1.47 H new ATOM 0 HE2 LYS B 40 9.629 19.994 18.260 1.00 1.90 H new ATOM 0 HE3 LYS B 40 10.881 19.814 19.473 1.00 1.90 H new ATOM 0 HZ1 LYS B 40 12.157 21.138 18.300 1.00 2.30 H new ATOM 0 HZ2 LYS B 40 12.128 20.067 16.983 1.00 2.30 H new ATOM 0 HZ3 LYS B 40 10.955 21.289 17.111 1.00 2.30 H new ATOM 2172 N GLU B 41 9.233 13.652 15.898 1.00 1.05 N ATOM 2173 CA GLU B 41 8.341 12.480 15.814 1.00 1.19 C ATOM 2174 C GLU B 41 9.131 11.188 15.576 1.00 1.22 C ATOM 2175 O GLU B 41 8.705 10.125 16.005 1.00 1.37 O ATOM 2176 CB GLU B 41 7.310 12.655 14.685 1.00 1.55 C ATOM 2177 CG GLU B 41 6.353 13.840 14.866 1.00 2.19 C ATOM 2178 CD GLU B 41 5.454 13.756 16.095 1.00 3.96 C ATOM 2179 OE1 GLU B 41 5.111 12.636 16.522 1.00 4.52 O ATOM 2180 OE2 GLU B 41 5.090 14.856 16.582 1.00 5.39 O ATOM 0 H GLU B 41 9.326 14.138 15.006 1.00 1.05 H new ATOM 0 HA GLU B 41 7.824 12.405 16.770 1.00 1.19 H new ATOM 0 HB2 GLU B 41 7.842 12.777 13.742 1.00 1.55 H new ATOM 0 HB3 GLU B 41 6.722 11.741 14.604 1.00 1.55 H new ATOM 0 HG2 GLU B 41 6.940 14.757 14.925 1.00 2.19 H new ATOM 0 HG3 GLU B 41 5.725 13.920 13.979 1.00 2.19 H new ATOM 2187 N LEU B 42 10.302 11.260 14.937 1.00 1.32 N ATOM 2188 CA LEU B 42 11.391 10.304 15.094 1.00 1.43 C ATOM 2189 C LEU B 42 12.513 10.949 15.938 1.00 1.54 C ATOM 2190 O LEU B 42 12.388 12.090 16.380 1.00 1.84 O ATOM 2191 CB LEU B 42 11.859 9.885 13.684 1.00 1.65 C ATOM 2192 CG LEU B 42 11.437 8.485 13.221 1.00 1.85 C ATOM 2193 CD1 LEU B 42 12.181 7.385 13.992 1.00 1.95 C ATOM 2194 CD2 LEU B 42 9.924 8.244 13.284 1.00 3.31 C ATOM 0 H LEU B 42 10.520 12.008 14.279 1.00 1.32 H new ATOM 0 HA LEU B 42 11.075 9.406 15.626 1.00 1.43 H new ATOM 0 HB2 LEU B 42 11.480 10.612 12.966 1.00 1.65 H new ATOM 0 HB3 LEU B 42 12.947 9.943 13.652 1.00 1.65 H new ATOM 0 HG LEU B 42 11.720 8.436 12.169 1.00 1.85 H new ATOM 0 HD11 LEU B 42 11.855 6.407 13.636 1.00 1.95 H new ATOM 0 HD12 LEU B 42 13.254 7.491 13.832 1.00 1.95 H new ATOM 0 HD13 LEU B 42 11.962 7.475 15.056 1.00 1.95 H new ATOM 0 HD21 LEU B 42 9.702 7.233 12.942 1.00 3.31 H new ATOM 0 HD22 LEU B 42 9.579 8.363 14.311 1.00 3.31 H new ATOM 0 HD23 LEU B 42 9.414 8.964 12.644 1.00 3.31 H new ATOM 2206 N CYS B 43 13.605 10.214 16.164 1.00 2.12 N ATOM 2207 CA CYS B 43 14.782 10.724 16.882 1.00 2.37 C ATOM 2208 C CYS B 43 16.074 10.659 16.070 1.00 3.14 C ATOM 2209 O CYS B 43 16.773 11.662 15.975 1.00 4.68 O ATOM 2210 CB CYS B 43 14.894 9.977 18.219 1.00 2.37 C ATOM 2211 SG CYS B 43 16.079 10.843 19.281 1.00 3.58 S ATOM 0 H CYS B 43 13.701 9.247 15.855 1.00 2.12 H new ATOM 0 HA CYS B 43 14.638 11.789 17.064 1.00 2.37 H new ATOM 0 HB2 CYS B 43 13.920 9.927 18.705 1.00 2.37 H new ATOM 0 HB3 CYS B 43 15.220 8.950 18.051 1.00 2.37 H new ATOM 0 HG CYS B 43 15.484 11.227 20.371 1.00 3.58 H new ATOM 2217 N LEU B 44 16.373 9.486 15.508 1.00 2.58 N ATOM 2218 CA LEU B 44 17.666 9.054 14.960 1.00 3.02 C ATOM 2219 C LEU B 44 18.893 9.882 15.387 1.00 3.30 C ATOM 2220 O LEU B 44 19.582 10.488 14.571 1.00 4.41 O ATOM 2221 CB LEU B 44 17.613 8.695 13.464 1.00 3.43 C ATOM 2222 CG LEU B 44 16.355 7.930 13.009 1.00 3.25 C ATOM 2223 CD1 LEU B 44 15.369 8.899 12.347 1.00 4.08 C ATOM 2224 CD2 LEU B 44 16.730 6.805 12.040 1.00 3.84 C ATOM 0 H LEU B 44 15.666 8.756 15.416 1.00 2.58 H new ATOM 0 HA LEU B 44 17.853 8.108 15.469 1.00 3.02 H new ATOM 0 HB2 LEU B 44 17.687 9.615 12.885 1.00 3.43 H new ATOM 0 HB3 LEU B 44 18.490 8.095 13.221 1.00 3.43 H new ATOM 0 HG LEU B 44 15.881 7.483 13.882 1.00 3.25 H new ATOM 0 HD11 LEU B 44 14.481 8.353 12.027 1.00 4.08 H new ATOM 0 HD12 LEU B 44 15.082 9.671 13.061 1.00 4.08 H new ATOM 0 HD13 LEU B 44 15.841 9.363 11.481 1.00 4.08 H new ATOM 0 HD21 LEU B 44 15.829 6.276 11.730 1.00 3.84 H new ATOM 0 HD22 LEU B 44 17.222 7.228 11.164 1.00 3.84 H new ATOM 0 HD23 LEU B 44 17.407 6.109 12.535 1.00 3.84 H new ATOM 2236 N GLY B 45 19.103 9.889 16.703 1.00 2.69 N ATOM 2237 CA GLY B 45 20.242 10.454 17.448 1.00 3.03 C ATOM 2238 C GLY B 45 20.940 9.412 18.335 1.00 2.46 C ATOM 2239 O GLY B 45 21.768 9.762 19.173 1.00 3.21 O ATOM 0 H GLY B 45 18.425 9.464 17.336 1.00 2.69 H new ATOM 0 HA2 GLY B 45 20.963 10.868 16.743 1.00 3.03 H new ATOM 0 HA3 GLY B 45 19.893 11.279 18.069 1.00 3.03 H new ATOM 2242 N GLU B 46 20.546 8.145 18.194 1.00 1.97 N ATOM 2243 CA GLU B 46 20.794 7.025 19.107 1.00 2.29 C ATOM 2244 C GLU B 46 20.725 5.670 18.377 1.00 2.35 C ATOM 2245 O GLU B 46 21.635 4.854 18.501 1.00 3.06 O ATOM 2246 CB GLU B 46 19.799 7.056 20.298 1.00 3.02 C ATOM 2247 CG GLU B 46 18.416 7.734 20.130 1.00 3.30 C ATOM 2248 CD GLU B 46 17.571 7.214 18.962 1.00 3.70 C ATOM 2249 OE1 GLU B 46 17.842 7.629 17.814 1.00 4.38 O ATOM 2250 OE2 GLU B 46 16.663 6.384 19.175 1.00 4.29 O ATOM 0 H GLU B 46 20.006 7.852 17.380 1.00 1.97 H new ATOM 0 HA GLU B 46 21.806 7.138 19.497 1.00 2.29 H new ATOM 0 HB2 GLU B 46 19.620 6.024 20.599 1.00 3.02 H new ATOM 0 HB3 GLU B 46 20.303 7.548 21.130 1.00 3.02 H new ATOM 0 HG2 GLU B 46 17.851 7.603 21.053 1.00 3.30 H new ATOM 0 HG3 GLU B 46 18.568 8.805 19.999 1.00 3.30 H new ATOM 2257 N MET B 47 19.674 5.426 17.591 1.00 2.29 N ATOM 2258 CA MET B 47 19.489 4.201 16.794 1.00 2.75 C ATOM 2259 C MET B 47 20.393 4.171 15.550 1.00 2.37 C ATOM 2260 O MET B 47 20.988 3.145 15.224 1.00 3.01 O ATOM 2261 CB MET B 47 17.996 4.051 16.471 1.00 3.43 C ATOM 2262 CG MET B 47 17.410 5.212 15.657 1.00 3.95 C ATOM 2263 SD MET B 47 15.635 5.470 15.882 1.00 4.50 S ATOM 2264 CE MET B 47 15.122 3.953 15.070 1.00 3.52 C ATOM 0 H MET B 47 18.906 6.089 17.485 1.00 2.29 H new ATOM 0 HA MET B 47 19.804 3.334 17.375 1.00 2.75 H new ATOM 0 HB2 MET B 47 17.846 3.123 15.919 1.00 3.43 H new ATOM 0 HB3 MET B 47 17.441 3.960 17.405 1.00 3.43 H new ATOM 0 HG2 MET B 47 17.934 6.129 15.928 1.00 3.95 H new ATOM 0 HG3 MET B 47 17.606 5.033 14.600 1.00 3.95 H new ATOM 0 HE1 MET B 47 14.379 4.183 14.306 1.00 3.52 H new ATOM 0 HE2 MET B 47 15.986 3.479 14.605 1.00 3.52 H new ATOM 0 HE3 MET B 47 14.688 3.275 15.805 1.00 3.52 H new ATOM 2274 N LYS B 48 20.500 5.307 14.852 1.00 1.85 N ATOM 2275 CA LYS B 48 21.387 5.608 13.739 1.00 1.79 C ATOM 2276 C LYS B 48 21.713 7.105 13.761 1.00 2.24 C ATOM 2277 O LYS B 48 20.844 7.889 14.122 1.00 3.01 O ATOM 2278 CB LYS B 48 20.636 5.354 12.432 1.00 2.04 C ATOM 2279 CG LYS B 48 20.093 3.944 12.234 1.00 2.44 C ATOM 2280 CD LYS B 48 21.125 2.825 12.049 1.00 2.75 C ATOM 2281 CE LYS B 48 21.757 2.874 10.654 1.00 4.05 C ATOM 2282 NZ LYS B 48 22.323 1.558 10.257 1.00 5.16 N ATOM 0 H LYS B 48 19.911 6.108 15.078 1.00 1.85 H new ATOM 0 HA LYS B 48 22.286 4.997 13.815 1.00 1.79 H new ATOM 0 HB2 LYS B 48 19.802 6.054 12.374 1.00 2.04 H new ATOM 0 HB3 LYS B 48 21.304 5.584 11.602 1.00 2.04 H new ATOM 0 HG2 LYS B 48 19.473 3.695 13.095 1.00 2.44 H new ATOM 0 HG3 LYS B 48 19.440 3.951 11.362 1.00 2.44 H new ATOM 0 HD2 LYS B 48 21.903 2.917 12.806 1.00 2.75 H new ATOM 0 HD3 LYS B 48 20.646 1.857 12.200 1.00 2.75 H new ATOM 0 HE2 LYS B 48 21.006 3.181 9.926 1.00 4.05 H new ATOM 0 HE3 LYS B 48 22.544 3.628 10.638 1.00 4.05 H new ATOM 0 HZ1 LYS B 48 23.164 1.707 9.663 1.00 5.16 H new ATOM 0 HZ2 LYS B 48 22.591 1.024 11.108 1.00 5.16 H new ATOM 0 HZ3 LYS B 48 21.611 1.021 9.721 1.00 5.16 H new ATOM 2296 N GLU B 49 22.890 7.478 13.272 1.00 2.23 N ATOM 2297 CA GLU B 49 23.334 8.850 13.037 1.00 2.73 C ATOM 2298 C GLU B 49 24.320 8.970 11.866 1.00 2.25 C ATOM 2299 O GLU B 49 24.824 7.963 11.361 1.00 2.40 O ATOM 2300 CB GLU B 49 23.977 9.395 14.319 1.00 3.89 C ATOM 2301 CG GLU B 49 22.988 10.267 15.083 1.00 5.10 C ATOM 2302 CD GLU B 49 22.664 11.608 14.396 1.00 6.14 C ATOM 2303 OE1 GLU B 49 23.175 11.823 13.268 1.00 6.36 O ATOM 2304 OE2 GLU B 49 21.889 12.408 14.972 1.00 7.19 O ATOM 0 H GLU B 49 23.601 6.794 13.014 1.00 2.23 H new ATOM 0 HA GLU B 49 22.456 9.436 12.766 1.00 2.73 H new ATOM 0 HB2 GLU B 49 24.304 8.568 14.949 1.00 3.89 H new ATOM 0 HB3 GLU B 49 24.865 9.975 14.069 1.00 3.89 H new ATOM 0 HG2 GLU B 49 22.062 9.710 15.222 1.00 5.10 H new ATOM 0 HG3 GLU B 49 23.390 10.468 16.076 1.00 5.10 H new ATOM 2311 N SER B 50 24.573 10.214 11.451 1.00 2.86 N ATOM 2312 CA SER B 50 25.582 10.678 10.479 1.00 2.95 C ATOM 2313 C SER B 50 25.244 10.245 9.043 1.00 2.70 C ATOM 2314 O SER B 50 24.934 11.074 8.198 1.00 3.60 O ATOM 2315 CB SER B 50 26.990 10.233 10.908 1.00 3.46 C ATOM 2316 OG SER B 50 27.997 10.805 10.090 1.00 3.79 O ATOM 0 H SER B 50 24.031 10.997 11.816 1.00 2.86 H new ATOM 0 HA SER B 50 25.567 11.768 10.475 1.00 2.95 H new ATOM 0 HB2 SER B 50 27.160 10.518 11.946 1.00 3.46 H new ATOM 0 HB3 SER B 50 27.058 9.146 10.861 1.00 3.46 H new ATOM 0 HG SER B 50 28.878 10.501 10.394 1.00 3.79 H new ATOM 2322 N SER B 51 25.102 8.946 8.800 1.00 2.27 N ATOM 2323 CA SER B 51 24.428 8.387 7.616 1.00 2.19 C ATOM 2324 C SER B 51 22.892 8.565 7.669 1.00 1.98 C ATOM 2325 O SER B 51 22.149 7.910 6.933 1.00 2.39 O ATOM 2326 CB SER B 51 24.812 6.904 7.502 1.00 2.63 C ATOM 2327 OG SER B 51 24.232 6.296 6.366 1.00 2.19 O ATOM 0 H SER B 51 25.458 8.229 9.432 1.00 2.27 H new ATOM 0 HA SER B 51 24.758 8.932 6.732 1.00 2.19 H new ATOM 0 HB2 SER B 51 25.897 6.813 7.449 1.00 2.63 H new ATOM 0 HB3 SER B 51 24.492 6.376 8.400 1.00 2.63 H new ATOM 0 HG SER B 51 23.337 6.667 6.217 1.00 2.19 H new ATOM 2333 N ILE B 52 22.406 9.428 8.566 1.00 1.86 N ATOM 2334 CA ILE B 52 21.070 10.030 8.491 1.00 1.59 C ATOM 2335 C ILE B 52 21.129 11.469 7.966 1.00 1.22 C ATOM 2336 O ILE B 52 20.122 11.952 7.454 1.00 1.16 O ATOM 2337 CB ILE B 52 20.336 9.925 9.854 1.00 1.89 C ATOM 2338 CG1 ILE B 52 20.821 10.887 10.967 1.00 2.31 C ATOM 2339 CG2 ILE B 52 20.440 8.484 10.388 1.00 2.32 C ATOM 2340 CD1 ILE B 52 20.182 12.282 10.940 1.00 2.22 C ATOM 0 H ILE B 52 22.939 9.734 9.380 1.00 1.86 H new ATOM 0 HA ILE B 52 20.484 9.463 7.768 1.00 1.59 H new ATOM 0 HB ILE B 52 19.311 10.221 9.630 1.00 1.89 H new ATOM 0 HG12 ILE B 52 20.619 10.430 11.936 1.00 2.31 H new ATOM 0 HG13 ILE B 52 21.902 10.997 10.886 1.00 2.31 H new ATOM 0 HG21 ILE B 52 19.924 8.413 11.345 1.00 2.32 H new ATOM 0 HG22 ILE B 52 19.981 7.798 9.676 1.00 2.32 H new ATOM 0 HG23 ILE B 52 21.489 8.220 10.521 1.00 2.32 H new ATOM 0 HD11 ILE B 52 20.584 12.882 11.756 1.00 2.22 H new ATOM 0 HD12 ILE B 52 20.405 12.766 9.989 1.00 2.22 H new ATOM 0 HD13 ILE B 52 19.102 12.190 11.055 1.00 2.22 H new ATOM 2352 N ASP B 53 22.270 12.161 8.102 1.00 1.22 N ATOM 2353 CA ASP B 53 22.338 13.601 7.858 1.00 1.25 C ATOM 2354 C ASP B 53 22.516 13.933 6.378 1.00 1.07 C ATOM 2355 O ASP B 53 22.001 14.955 5.963 1.00 1.11 O ATOM 2356 CB ASP B 53 23.399 14.298 8.728 1.00 1.78 C ATOM 2357 CG ASP B 53 23.302 15.837 8.635 1.00 2.35 C ATOM 2358 OD1 ASP B 53 22.249 16.414 9.003 1.00 3.27 O ATOM 2359 OD2 ASP B 53 24.283 16.470 8.183 1.00 2.88 O ATOM 0 H ASP B 53 23.157 11.742 8.380 1.00 1.22 H new ATOM 0 HA ASP B 53 21.370 14.002 8.160 1.00 1.25 H new ATOM 0 HB2 ASP B 53 23.277 13.989 9.766 1.00 1.78 H new ATOM 0 HB3 ASP B 53 24.393 13.978 8.415 1.00 1.78 H new ATOM 2364 N ASP B 54 23.116 13.078 5.541 1.00 1.06 N ATOM 2365 CA ASP B 54 23.126 13.279 4.074 1.00 1.02 C ATOM 2366 C ASP B 54 21.706 13.436 3.506 1.00 0.85 C ATOM 2367 O ASP B 54 21.415 14.313 2.678 1.00 0.90 O ATOM 2368 CB ASP B 54 23.818 12.094 3.385 1.00 1.25 C ATOM 2369 CG ASP B 54 23.796 12.289 1.862 1.00 1.48 C ATOM 2370 OD1 ASP B 54 24.708 12.976 1.350 1.00 2.17 O ATOM 2371 OD2 ASP B 54 22.827 11.806 1.231 1.00 2.43 O ATOM 0 H ASP B 54 23.604 12.237 5.849 1.00 1.06 H new ATOM 0 HA ASP B 54 23.675 14.200 3.877 1.00 1.02 H new ATOM 0 HB2 ASP B 54 24.847 12.009 3.735 1.00 1.25 H new ATOM 0 HB3 ASP B 54 23.314 11.164 3.649 1.00 1.25 H new ATOM 2376 N LEU B 55 20.783 12.626 4.025 1.00 0.77 N ATOM 2377 CA LEU B 55 19.366 12.707 3.706 1.00 0.72 C ATOM 2378 C LEU B 55 18.821 14.069 4.173 1.00 0.69 C ATOM 2379 O LEU B 55 18.241 14.820 3.389 1.00 0.72 O ATOM 2380 CB LEU B 55 18.640 11.492 4.319 1.00 0.77 C ATOM 2381 CG LEU B 55 19.291 10.113 4.057 1.00 1.04 C ATOM 2382 CD1 LEU B 55 18.407 9.018 4.676 1.00 1.06 C ATOM 2383 CD2 LEU B 55 19.500 9.838 2.563 1.00 1.25 C ATOM 0 H LEU B 55 21.007 11.885 4.689 1.00 0.77 H new ATOM 0 HA LEU B 55 19.191 12.659 2.631 1.00 0.72 H new ATOM 0 HB2 LEU B 55 18.570 11.640 5.397 1.00 0.77 H new ATOM 0 HB3 LEU B 55 17.621 11.470 3.934 1.00 0.77 H new ATOM 0 HG LEU B 55 20.278 10.113 4.519 1.00 1.04 H new ATOM 0 HD11 LEU B 55 18.858 8.042 4.497 1.00 1.06 H new ATOM 0 HD12 LEU B 55 18.319 9.185 5.749 1.00 1.06 H new ATOM 0 HD13 LEU B 55 17.417 9.050 4.221 1.00 1.06 H new ATOM 0 HD21 LEU B 55 19.960 8.858 2.434 1.00 1.25 H new ATOM 0 HD22 LEU B 55 18.538 9.858 2.051 1.00 1.25 H new ATOM 0 HD23 LEU B 55 20.152 10.603 2.140 1.00 1.25 H new ATOM 2395 N MET B 56 19.109 14.468 5.416 1.00 0.76 N ATOM 2396 CA MET B 56 18.786 15.795 5.969 1.00 0.88 C ATOM 2397 C MET B 56 19.478 16.959 5.233 1.00 0.95 C ATOM 2398 O MET B 56 18.947 18.067 5.248 1.00 1.09 O ATOM 2399 CB MET B 56 19.162 15.840 7.459 1.00 1.04 C ATOM 2400 CG MET B 56 18.444 14.781 8.300 1.00 1.05 C ATOM 2401 SD MET B 56 16.715 15.171 8.666 1.00 1.45 S ATOM 2402 CE MET B 56 16.907 15.721 10.377 1.00 1.70 C ATOM 0 H MET B 56 19.586 13.864 6.086 1.00 0.76 H new ATOM 0 HA MET B 56 17.713 15.931 5.832 1.00 0.88 H new ATOM 0 HB2 MET B 56 20.239 15.703 7.559 1.00 1.04 H new ATOM 0 HB3 MET B 56 18.928 16.828 7.855 1.00 1.04 H new ATOM 0 HG2 MET B 56 18.486 13.827 7.775 1.00 1.05 H new ATOM 0 HG3 MET B 56 18.982 14.653 9.239 1.00 1.05 H new ATOM 0 HE1 MET B 56 16.182 15.206 11.008 1.00 1.70 H new ATOM 0 HE2 MET B 56 17.915 15.492 10.722 1.00 1.70 H new ATOM 0 HE3 MET B 56 16.739 16.796 10.435 1.00 1.70 H new ATOM 2412 N LYS B 57 20.614 16.735 4.565 1.00 0.96 N ATOM 2413 CA LYS B 57 21.316 17.644 3.643 1.00 1.09 C ATOM 2414 C LYS B 57 20.656 17.690 2.281 1.00 1.08 C ATOM 2415 O LYS B 57 20.663 18.711 1.609 1.00 1.25 O ATOM 2416 CB LYS B 57 22.820 17.307 3.544 1.00 1.20 C ATOM 2417 CG LYS B 57 23.635 17.565 4.828 1.00 1.35 C ATOM 2418 CD LYS B 57 23.141 18.812 5.558 1.00 2.25 C ATOM 2419 CE LYS B 57 23.968 19.141 6.800 1.00 3.32 C ATOM 2420 NZ LYS B 57 23.766 20.552 7.193 1.00 4.50 N ATOM 0 H LYS B 57 21.107 15.847 4.659 1.00 0.96 H new ATOM 0 HA LYS B 57 21.240 18.647 4.063 1.00 1.09 H new ATOM 0 HB2 LYS B 57 22.924 16.257 3.271 1.00 1.20 H new ATOM 0 HB3 LYS B 57 23.255 17.891 2.733 1.00 1.20 H new ATOM 0 HG2 LYS B 57 23.560 16.701 5.488 1.00 1.35 H new ATOM 0 HG3 LYS B 57 24.689 17.683 4.575 1.00 1.35 H new ATOM 0 HD2 LYS B 57 23.167 19.661 4.875 1.00 2.25 H new ATOM 0 HD3 LYS B 57 22.100 18.668 5.848 1.00 2.25 H new ATOM 0 HE2 LYS B 57 23.681 18.483 7.621 1.00 3.32 H new ATOM 0 HE3 LYS B 57 25.024 18.960 6.600 1.00 3.32 H new ATOM 0 HZ1 LYS B 57 23.572 20.604 8.213 1.00 4.50 H new ATOM 0 HZ2 LYS B 57 24.623 21.099 6.975 1.00 4.50 H new ATOM 0 HZ3 LYS B 57 22.960 20.947 6.667 1.00 4.50 H new ATOM 2434 N SER B 58 19.970 16.624 1.922 1.00 0.94 N ATOM 2435 CA SER B 58 18.989 16.594 0.842 1.00 1.02 C ATOM 2436 C SER B 58 17.646 17.261 1.209 1.00 1.02 C ATOM 2437 O SER B 58 16.873 17.582 0.306 1.00 1.38 O ATOM 2438 CB SER B 58 18.898 15.184 0.256 1.00 1.05 C ATOM 2439 OG SER B 58 20.180 14.842 -0.268 1.00 1.78 O ATOM 0 H SER B 58 20.079 15.722 2.386 1.00 0.94 H new ATOM 0 HA SER B 58 19.339 17.233 0.032 1.00 1.02 H new ATOM 0 HB2 SER B 58 18.597 14.471 1.023 1.00 1.05 H new ATOM 0 HB3 SER B 58 18.143 15.145 -0.529 1.00 1.05 H new ATOM 0 HG SER B 58 20.788 14.625 0.470 1.00 1.78 H new ATOM 2445 N LEU B 59 17.404 17.591 2.492 1.00 0.85 N ATOM 2446 CA LEU B 59 16.386 18.571 2.915 1.00 0.97 C ATOM 2447 C LEU B 59 16.935 20.011 2.963 1.00 1.02 C ATOM 2448 O LEU B 59 16.337 20.926 2.400 1.00 1.24 O ATOM 2449 CB LEU B 59 15.728 18.137 4.245 1.00 1.04 C ATOM 2450 CG LEU B 59 15.128 16.713 4.203 1.00 1.04 C ATOM 2451 CD1 LEU B 59 14.477 16.363 5.546 1.00 1.16 C ATOM 2452 CD2 LEU B 59 14.104 16.520 3.076 1.00 1.12 C ATOM 0 H LEU B 59 17.916 17.180 3.273 1.00 0.85 H new ATOM 0 HA LEU B 59 15.605 18.585 2.154 1.00 0.97 H new ATOM 0 HB2 LEU B 59 16.471 18.186 5.041 1.00 1.04 H new ATOM 0 HB3 LEU B 59 14.941 18.847 4.500 1.00 1.04 H new ATOM 0 HG LEU B 59 15.962 16.041 4.003 1.00 1.04 H new ATOM 0 HD11 LEU B 59 14.060 15.357 5.497 1.00 1.16 H new ATOM 0 HD12 LEU B 59 15.227 16.407 6.336 1.00 1.16 H new ATOM 0 HD13 LEU B 59 13.681 17.076 5.761 1.00 1.16 H new ATOM 0 HD21 LEU B 59 13.722 15.500 3.103 1.00 1.12 H new ATOM 0 HD22 LEU B 59 13.279 17.220 3.210 1.00 1.12 H new ATOM 0 HD23 LEU B 59 14.583 16.703 2.114 1.00 1.12 H new ATOM 2464 N ASP B 60 18.119 20.201 3.549 1.00 0.96 N ATOM 2465 CA ASP B 60 18.892 21.460 3.592 1.00 1.12 C ATOM 2466 C ASP B 60 19.280 21.996 2.196 1.00 1.15 C ATOM 2467 O ASP B 60 19.674 23.149 2.074 1.00 1.43 O ATOM 2468 CB ASP B 60 20.176 21.209 4.417 1.00 1.39 C ATOM 2469 CG ASP B 60 20.294 21.874 5.789 1.00 1.60 C ATOM 2470 OD1 ASP B 60 19.251 22.281 6.345 1.00 1.88 O ATOM 2471 OD2 ASP B 60 21.352 21.656 6.428 1.00 2.70 O ATOM 0 H ASP B 60 18.597 19.443 4.036 1.00 0.96 H new ATOM 0 HA ASP B 60 18.256 22.220 4.047 1.00 1.12 H new ATOM 0 HB2 ASP B 60 20.276 20.133 4.559 1.00 1.39 H new ATOM 0 HB3 ASP B 60 21.026 21.532 3.816 1.00 1.39 H new ATOM 2476 N LYS B 61 19.186 21.164 1.146 1.00 1.11 N ATOM 2477 CA LYS B 61 19.686 21.399 -0.219 1.00 1.33 C ATOM 2478 C LYS B 61 19.221 22.725 -0.842 1.00 1.33 C ATOM 2479 O LYS B 61 19.930 23.282 -1.671 1.00 1.70 O ATOM 2480 CB LYS B 61 19.240 20.193 -1.079 1.00 1.52 C ATOM 2481 CG LYS B 61 20.020 19.956 -2.389 1.00 2.14 C ATOM 2482 CD LYS B 61 21.498 19.548 -2.226 1.00 2.30 C ATOM 2483 CE LYS B 61 21.743 18.292 -1.366 1.00 3.21 C ATOM 2484 NZ LYS B 61 21.223 17.032 -1.962 1.00 4.36 N ATOM 0 H LYS B 61 18.732 20.255 1.232 1.00 1.11 H new ATOM 0 HA LYS B 61 20.772 21.488 -0.179 1.00 1.33 H new ATOM 0 HB2 LYS B 61 19.315 19.293 -0.469 1.00 1.52 H new ATOM 0 HB3 LYS B 61 18.187 20.322 -1.328 1.00 1.52 H new ATOM 0 HG2 LYS B 61 19.509 19.180 -2.958 1.00 2.14 H new ATOM 0 HG3 LYS B 61 19.978 20.868 -2.985 1.00 2.14 H new ATOM 0 HD2 LYS B 61 21.923 19.379 -3.216 1.00 2.30 H new ATOM 0 HD3 LYS B 61 22.042 20.383 -1.784 1.00 2.30 H new ATOM 0 HE2 LYS B 61 22.814 18.185 -1.197 1.00 3.21 H new ATOM 0 HE3 LYS B 61 21.279 18.438 -0.390 1.00 3.21 H new ATOM 0 HZ1 LYS B 61 20.907 16.394 -1.204 1.00 4.36 H new ATOM 0 HZ2 LYS B 61 20.422 17.249 -2.589 1.00 4.36 H new ATOM 0 HZ3 LYS B 61 21.977 16.571 -2.511 1.00 4.36 H new ATOM 2498 N ASN B 62 18.037 23.197 -0.441 1.00 1.19 N ATOM 2499 CA ASN B 62 17.509 24.541 -0.698 1.00 1.57 C ATOM 2500 C ASN B 62 16.604 24.971 0.471 1.00 1.53 C ATOM 2501 O ASN B 62 16.670 26.103 0.930 1.00 2.45 O ATOM 2502 CB ASN B 62 16.705 24.638 -2.015 1.00 2.09 C ATOM 2503 CG ASN B 62 17.021 23.603 -3.095 1.00 1.79 C ATOM 2504 OD1 ASN B 62 17.786 23.838 -4.011 1.00 2.63 O ATOM 2505 ND2 ASN B 62 16.425 22.424 -3.060 1.00 2.44 N ATOM 0 H ASN B 62 17.388 22.624 0.099 1.00 1.19 H new ATOM 0 HA ASN B 62 18.370 25.202 -0.793 1.00 1.57 H new ATOM 0 HB2 ASN B 62 15.645 24.562 -1.772 1.00 2.09 H new ATOM 0 HB3 ASN B 62 16.865 25.630 -2.438 1.00 2.09 H new ATOM 0 HD21 ASN B 62 16.611 21.737 -3.790 1.00 2.44 H new ATOM 0 HD22 ASN B 62 15.779 22.201 -2.303 1.00 2.44 H new ATOM 2512 N SER B 63 15.757 24.058 0.976 1.00 1.12 N ATOM 2513 CA SER B 63 15.087 24.094 2.294 1.00 1.08 C ATOM 2514 C SER B 63 13.839 24.999 2.388 1.00 1.07 C ATOM 2515 O SER B 63 12.870 24.643 3.059 1.00 1.35 O ATOM 2516 CB SER B 63 16.103 24.404 3.413 1.00 1.35 C ATOM 2517 OG SER B 63 16.352 25.784 3.612 1.00 1.69 O ATOM 0 H SER B 63 15.504 23.224 0.446 1.00 1.12 H new ATOM 0 HA SER B 63 14.687 23.089 2.432 1.00 1.08 H new ATOM 0 HB2 SER B 63 15.739 23.975 4.346 1.00 1.35 H new ATOM 0 HB3 SER B 63 17.045 23.907 3.180 1.00 1.35 H new ATOM 0 HG SER B 63 16.520 26.214 2.748 1.00 1.69 H new ATOM 2523 N ASP B 64 13.818 26.118 1.660 1.00 1.09 N ATOM 2524 CA ASP B 64 12.826 27.204 1.740 1.00 1.36 C ATOM 2525 C ASP B 64 11.715 26.992 0.705 1.00 1.36 C ATOM 2526 O ASP B 64 11.421 27.817 -0.157 1.00 2.35 O ATOM 2527 CB ASP B 64 13.542 28.556 1.603 1.00 1.80 C ATOM 2528 CG ASP B 64 14.423 28.807 2.822 1.00 2.57 C ATOM 2529 OD1 ASP B 64 13.874 29.170 3.884 1.00 2.95 O ATOM 2530 OD2 ASP B 64 15.643 28.531 2.767 1.00 3.94 O ATOM 0 H ASP B 64 14.533 26.306 0.957 1.00 1.09 H new ATOM 0 HA ASP B 64 12.333 27.198 2.712 1.00 1.36 H new ATOM 0 HB2 ASP B 64 14.149 28.565 0.698 1.00 1.80 H new ATOM 0 HB3 ASP B 64 12.809 29.356 1.503 1.00 1.80 H new ATOM 2535 N GLN B 65 11.178 25.780 0.743 1.00 0.88 N ATOM 2536 CA GLN B 65 10.320 25.192 -0.278 1.00 0.83 C ATOM 2537 C GLN B 65 9.298 24.290 0.409 1.00 0.75 C ATOM 2538 O GLN B 65 9.645 23.668 1.415 1.00 0.79 O ATOM 2539 CB GLN B 65 11.151 24.320 -1.250 1.00 0.94 C ATOM 2540 CG GLN B 65 12.681 24.388 -1.107 1.00 1.75 C ATOM 2541 CD GLN B 65 13.421 23.381 -1.971 1.00 2.59 C ATOM 2542 OE1 GLN B 65 14.115 22.510 -1.458 1.00 3.54 O ATOM 2543 NE2 GLN B 65 13.391 23.500 -3.285 1.00 3.15 N ATOM 0 H GLN B 65 11.337 25.147 1.527 1.00 0.88 H new ATOM 0 HA GLN B 65 9.834 25.993 -0.835 1.00 0.83 H new ATOM 0 HB2 GLN B 65 10.844 23.282 -1.123 1.00 0.94 H new ATOM 0 HB3 GLN B 65 10.892 24.606 -2.269 1.00 0.94 H new ATOM 0 HG2 GLN B 65 13.017 25.392 -1.366 1.00 1.75 H new ATOM 0 HG3 GLN B 65 12.947 24.223 -0.063 1.00 1.75 H new ATOM 0 HE21 GLN B 65 12.816 24.222 -3.719 1.00 3.15 H new ATOM 0 HE22 GLN B 65 13.943 22.870 -3.867 1.00 3.15 H new ATOM 2552 N GLU B 66 8.100 24.133 -0.163 1.00 0.79 N ATOM 2553 CA GLU B 66 7.181 23.067 0.242 1.00 0.71 C ATOM 2554 C GLU B 66 7.660 21.678 -0.211 1.00 0.71 C ATOM 2555 O GLU B 66 8.526 21.544 -1.082 1.00 0.95 O ATOM 2556 CB GLU B 66 5.744 23.327 -0.255 1.00 0.80 C ATOM 2557 CG GLU B 66 5.043 24.470 0.489 1.00 1.02 C ATOM 2558 CD GLU B 66 3.671 24.744 -0.132 1.00 1.59 C ATOM 2559 OE1 GLU B 66 2.717 24.001 0.198 1.00 2.75 O ATOM 2560 OE2 GLU B 66 3.618 25.659 -0.980 1.00 2.30 O ATOM 0 H GLU B 66 7.745 24.732 -0.908 1.00 0.79 H new ATOM 0 HA GLU B 66 7.172 23.076 1.332 1.00 0.71 H new ATOM 0 HB2 GLU B 66 5.771 23.559 -1.320 1.00 0.80 H new ATOM 0 HB3 GLU B 66 5.157 22.415 -0.142 1.00 0.80 H new ATOM 0 HG2 GLU B 66 4.928 24.212 1.542 1.00 1.02 H new ATOM 0 HG3 GLU B 66 5.656 25.371 0.447 1.00 1.02 H new ATOM 2567 N ILE B 67 7.095 20.643 0.407 1.00 0.69 N ATOM 2568 CA ILE B 67 7.326 19.231 0.118 1.00 0.70 C ATOM 2569 C ILE B 67 6.011 18.439 0.156 1.00 0.77 C ATOM 2570 O ILE B 67 5.056 18.822 0.837 1.00 0.94 O ATOM 2571 CB ILE B 67 8.399 18.679 1.094 1.00 0.81 C ATOM 2572 CG1 ILE B 67 9.461 17.942 0.266 1.00 1.76 C ATOM 2573 CG2 ILE B 67 7.839 17.786 2.217 1.00 2.07 C ATOM 2574 CD1 ILE B 67 10.522 17.218 1.101 1.00 1.87 C ATOM 0 H ILE B 67 6.426 20.776 1.166 1.00 0.69 H new ATOM 0 HA ILE B 67 7.711 19.117 -0.895 1.00 0.70 H new ATOM 0 HB ILE B 67 8.836 19.526 1.622 1.00 0.81 H new ATOM 0 HG12 ILE B 67 8.964 17.216 -0.377 1.00 1.76 H new ATOM 0 HG13 ILE B 67 9.957 18.659 -0.388 1.00 1.76 H new ATOM 0 HG21 ILE B 67 8.656 17.444 2.852 1.00 2.07 H new ATOM 0 HG22 ILE B 67 7.129 18.357 2.816 1.00 2.07 H new ATOM 0 HG23 ILE B 67 7.335 16.924 1.779 1.00 2.07 H new ATOM 0 HD11 ILE B 67 11.232 16.724 0.438 1.00 1.87 H new ATOM 0 HD12 ILE B 67 11.049 17.940 1.725 1.00 1.87 H new ATOM 0 HD13 ILE B 67 10.040 16.474 1.735 1.00 1.87 H new ATOM 2586 N ASP B 68 6.008 17.302 -0.540 1.00 0.92 N ATOM 2587 CA ASP B 68 4.897 16.353 -0.589 1.00 1.16 C ATOM 2588 C ASP B 68 5.178 15.082 0.231 1.00 1.16 C ATOM 2589 O ASP B 68 6.318 14.617 0.354 1.00 1.38 O ATOM 2590 CB ASP B 68 4.633 15.979 -2.058 1.00 1.52 C ATOM 2591 CG ASP B 68 3.515 14.940 -2.193 1.00 1.14 C ATOM 2592 OD1 ASP B 68 2.379 15.240 -1.781 1.00 1.97 O ATOM 2593 OD2 ASP B 68 3.823 13.812 -2.630 1.00 2.12 O ATOM 0 H ASP B 68 6.805 17.007 -1.104 1.00 0.92 H new ATOM 0 HA ASP B 68 4.022 16.830 -0.148 1.00 1.16 H new ATOM 0 HB2 ASP B 68 4.365 16.875 -2.618 1.00 1.52 H new ATOM 0 HB3 ASP B 68 5.548 15.587 -2.503 1.00 1.52 H new ATOM 2598 N PHE B 69 4.089 14.454 0.680 1.00 1.06 N ATOM 2599 CA PHE B 69 4.031 13.137 1.318 1.00 1.09 C ATOM 2600 C PHE B 69 4.901 12.052 0.655 1.00 1.09 C ATOM 2601 O PHE B 69 5.354 11.133 1.338 1.00 1.14 O ATOM 2602 CB PHE B 69 2.573 12.660 1.305 1.00 1.22 C ATOM 2603 CG PHE B 69 1.762 13.036 2.521 1.00 1.21 C ATOM 2604 CD1 PHE B 69 1.844 12.237 3.678 1.00 2.14 C ATOM 2605 CD2 PHE B 69 0.884 14.131 2.482 1.00 2.38 C ATOM 2606 CE1 PHE B 69 1.046 12.530 4.797 1.00 2.79 C ATOM 2607 CE2 PHE B 69 0.072 14.408 3.592 1.00 3.25 C ATOM 2608 CZ PHE B 69 0.150 13.612 4.744 1.00 3.09 C ATOM 0 H PHE B 69 3.165 14.879 0.603 1.00 1.06 H new ATOM 0 HA PHE B 69 4.429 13.270 2.324 1.00 1.09 H new ATOM 0 HB2 PHE B 69 2.082 13.067 0.421 1.00 1.22 H new ATOM 0 HB3 PHE B 69 2.564 11.575 1.203 1.00 1.22 H new ATOM 0 HD1 PHE B 69 2.522 11.397 3.705 1.00 2.14 H new ATOM 0 HD2 PHE B 69 0.834 14.756 1.603 1.00 2.38 H new ATOM 0 HE1 PHE B 69 1.120 11.929 5.691 1.00 2.79 H new ATOM 0 HE2 PHE B 69 -0.617 15.239 3.559 1.00 3.25 H new ATOM 0 HZ PHE B 69 -0.480 13.831 5.593 1.00 3.09 H new ATOM 2618 N LYS B 70 5.161 12.117 -0.651 1.00 1.06 N ATOM 2619 CA LYS B 70 5.978 11.140 -1.360 1.00 1.10 C ATOM 2620 C LYS B 70 7.446 11.266 -0.968 1.00 1.01 C ATOM 2621 O LYS B 70 8.055 10.242 -0.654 1.00 1.05 O ATOM 2622 CB LYS B 70 5.805 11.367 -2.857 1.00 1.18 C ATOM 2623 CG LYS B 70 4.420 10.882 -3.333 1.00 1.16 C ATOM 2624 CD LYS B 70 3.997 11.460 -4.689 1.00 1.95 C ATOM 2625 CE LYS B 70 4.718 10.805 -5.873 1.00 2.94 C ATOM 2626 NZ LYS B 70 4.218 11.346 -7.161 1.00 4.06 N ATOM 0 H LYS B 70 4.804 12.860 -1.251 1.00 1.06 H new ATOM 0 HA LYS B 70 5.656 10.133 -1.093 1.00 1.10 H new ATOM 0 HB2 LYS B 70 5.921 12.427 -3.084 1.00 1.18 H new ATOM 0 HB3 LYS B 70 6.587 10.837 -3.402 1.00 1.18 H new ATOM 0 HG2 LYS B 70 4.429 9.794 -3.399 1.00 1.16 H new ATOM 0 HG3 LYS B 70 3.674 11.150 -2.585 1.00 1.16 H new ATOM 0 HD2 LYS B 70 2.921 11.334 -4.811 1.00 1.95 H new ATOM 0 HD3 LYS B 70 4.195 12.532 -4.698 1.00 1.95 H new ATOM 0 HE2 LYS B 70 5.791 10.979 -5.792 1.00 2.94 H new ATOM 0 HE3 LYS B 70 4.567 9.726 -5.844 1.00 2.94 H new ATOM 0 HZ1 LYS B 70 4.969 11.286 -7.878 1.00 4.06 H new ATOM 0 HZ2 LYS B 70 3.395 10.792 -7.474 1.00 4.06 H new ATOM 0 HZ3 LYS B 70 3.939 12.340 -7.035 1.00 4.06 H new ATOM 2640 N GLU B 71 7.983 12.492 -0.924 1.00 0.90 N ATOM 2641 CA GLU B 71 9.343 12.730 -0.428 1.00 0.85 C ATOM 2642 C GLU B 71 9.468 12.199 1.000 1.00 0.85 C ATOM 2643 O GLU B 71 10.420 11.511 1.343 1.00 0.91 O ATOM 2644 CB GLU B 71 9.719 14.220 -0.451 1.00 0.86 C ATOM 2645 CG GLU B 71 9.758 14.813 -1.867 1.00 1.01 C ATOM 2646 CD GLU B 71 10.969 15.733 -2.099 1.00 1.58 C ATOM 2647 OE1 GLU B 71 12.124 15.318 -1.845 1.00 2.33 O ATOM 2648 OE2 GLU B 71 10.750 16.900 -2.486 1.00 2.51 O ATOM 0 H GLU B 71 7.495 13.335 -1.227 1.00 0.90 H new ATOM 0 HA GLU B 71 10.029 12.204 -1.092 1.00 0.85 H new ATOM 0 HB2 GLU B 71 9.001 14.778 0.150 1.00 0.86 H new ATOM 0 HB3 GLU B 71 10.695 14.349 0.017 1.00 0.86 H new ATOM 0 HG2 GLU B 71 9.780 14.002 -2.594 1.00 1.01 H new ATOM 0 HG3 GLU B 71 8.842 15.376 -2.045 1.00 1.01 H new ATOM 2655 N TYR B 72 8.414 12.400 1.789 1.00 0.83 N ATOM 2656 CA TYR B 72 8.355 11.961 3.189 1.00 0.84 C ATOM 2657 C TYR B 72 8.344 10.424 3.302 1.00 0.89 C ATOM 2658 O TYR B 72 9.119 9.844 4.060 1.00 0.88 O ATOM 2659 CB TYR B 72 7.134 12.645 3.818 1.00 0.85 C ATOM 2660 CG TYR B 72 6.631 12.145 5.162 1.00 0.85 C ATOM 2661 CD1 TYR B 72 7.521 11.925 6.230 1.00 1.89 C ATOM 2662 CD2 TYR B 72 5.244 12.008 5.370 1.00 1.51 C ATOM 2663 CE1 TYR B 72 7.020 11.631 7.513 1.00 1.91 C ATOM 2664 CE2 TYR B 72 4.737 11.715 6.648 1.00 1.53 C ATOM 2665 CZ TYR B 72 5.628 11.555 7.731 1.00 0.92 C ATOM 2666 OH TYR B 72 5.160 11.377 8.994 1.00 1.01 O ATOM 0 H TYR B 72 7.568 12.876 1.475 1.00 0.83 H new ATOM 0 HA TYR B 72 9.248 12.257 3.740 1.00 0.84 H new ATOM 0 HB2 TYR B 72 7.367 13.704 3.925 1.00 0.85 H new ATOM 0 HB3 TYR B 72 6.310 12.570 3.108 1.00 0.85 H new ATOM 0 HD1 TYR B 72 8.587 11.982 6.066 1.00 1.89 H new ATOM 0 HD2 TYR B 72 4.564 12.129 4.540 1.00 1.51 H new ATOM 0 HE1 TYR B 72 7.703 11.463 8.332 1.00 1.91 H new ATOM 0 HE2 TYR B 72 3.673 11.613 6.800 1.00 1.53 H new ATOM 0 HH TYR B 72 4.181 11.346 8.979 1.00 1.01 H new ATOM 2676 N SER B 73 7.528 9.757 2.488 1.00 1.00 N ATOM 2677 CA SER B 73 7.438 8.301 2.368 1.00 1.16 C ATOM 2678 C SER B 73 8.736 7.647 1.867 1.00 1.15 C ATOM 2679 O SER B 73 9.153 6.641 2.448 1.00 1.19 O ATOM 2680 CB SER B 73 6.287 7.970 1.415 1.00 1.43 C ATOM 2681 OG SER B 73 6.100 6.576 1.278 1.00 1.94 O ATOM 0 H SER B 73 6.881 10.239 1.864 1.00 1.00 H new ATOM 0 HA SER B 73 7.261 7.895 3.364 1.00 1.16 H new ATOM 0 HB2 SER B 73 5.368 8.425 1.784 1.00 1.43 H new ATOM 0 HB3 SER B 73 6.488 8.407 0.437 1.00 1.43 H new ATOM 0 HG SER B 73 5.742 6.210 2.114 1.00 1.94 H new ATOM 2687 N VAL B 74 9.385 8.188 0.824 1.00 1.13 N ATOM 2688 CA VAL B 74 10.649 7.625 0.324 1.00 1.15 C ATOM 2689 C VAL B 74 11.811 7.926 1.261 1.00 1.08 C ATOM 2690 O VAL B 74 12.677 7.076 1.392 1.00 1.09 O ATOM 2691 CB VAL B 74 11.028 8.031 -1.118 1.00 1.16 C ATOM 2692 CG1 VAL B 74 9.936 7.610 -2.110 1.00 1.21 C ATOM 2693 CG2 VAL B 74 11.377 9.512 -1.306 1.00 1.08 C ATOM 0 H VAL B 74 9.058 9.009 0.314 1.00 1.13 H new ATOM 0 HA VAL B 74 10.459 6.552 0.296 1.00 1.15 H new ATOM 0 HB VAL B 74 11.950 7.489 -1.325 1.00 1.16 H new ATOM 0 HG11 VAL B 74 10.226 7.907 -3.118 1.00 1.21 H new ATOM 0 HG12 VAL B 74 9.808 6.528 -2.073 1.00 1.21 H new ATOM 0 HG13 VAL B 74 8.997 8.096 -1.845 1.00 1.21 H new ATOM 0 HG21 VAL B 74 11.629 9.697 -2.350 1.00 1.08 H new ATOM 0 HG22 VAL B 74 10.521 10.126 -1.025 1.00 1.08 H new ATOM 0 HG23 VAL B 74 12.230 9.768 -0.677 1.00 1.08 H new ATOM 2703 N PHE B 75 11.822 9.064 1.968 1.00 1.01 N ATOM 2704 CA PHE B 75 12.838 9.372 2.979 1.00 0.92 C ATOM 2705 C PHE B 75 12.736 8.410 4.162 1.00 0.96 C ATOM 2706 O PHE B 75 13.741 7.798 4.534 1.00 0.98 O ATOM 2707 CB PHE B 75 12.651 10.828 3.427 1.00 0.79 C ATOM 2708 CG PHE B 75 13.791 11.428 4.217 1.00 0.64 C ATOM 2709 CD1 PHE B 75 14.114 10.992 5.519 1.00 1.93 C ATOM 2710 CD2 PHE B 75 14.515 12.482 3.637 1.00 2.02 C ATOM 2711 CE1 PHE B 75 15.164 11.606 6.226 1.00 2.01 C ATOM 2712 CE2 PHE B 75 15.544 13.102 4.357 1.00 1.92 C ATOM 2713 CZ PHE B 75 15.866 12.680 5.654 1.00 0.60 C ATOM 0 H PHE B 75 11.123 9.798 1.853 1.00 1.01 H new ATOM 0 HA PHE B 75 13.834 9.249 2.554 1.00 0.92 H new ATOM 0 HB2 PHE B 75 12.486 11.442 2.541 1.00 0.79 H new ATOM 0 HB3 PHE B 75 11.745 10.889 4.030 1.00 0.79 H new ATOM 0 HD1 PHE B 75 13.555 10.187 5.973 1.00 1.93 H new ATOM 0 HD2 PHE B 75 14.279 12.814 2.637 1.00 2.02 H new ATOM 0 HE1 PHE B 75 15.431 11.251 7.210 1.00 2.01 H new ATOM 0 HE2 PHE B 75 16.096 13.915 3.908 1.00 1.92 H new ATOM 0 HZ PHE B 75 16.648 13.177 6.209 1.00 0.60 H new ATOM 2723 N LEU B 76 11.528 8.233 4.716 1.00 0.98 N ATOM 2724 CA LEU B 76 11.276 7.278 5.796 1.00 1.01 C ATOM 2725 C LEU B 76 11.688 5.869 5.373 1.00 1.10 C ATOM 2726 O LEU B 76 12.392 5.205 6.130 1.00 1.11 O ATOM 2727 CB LEU B 76 9.793 7.290 6.204 1.00 1.08 C ATOM 2728 CG LEU B 76 9.305 8.482 7.053 1.00 1.03 C ATOM 2729 CD1 LEU B 76 7.796 8.312 7.270 1.00 1.45 C ATOM 2730 CD2 LEU B 76 10.021 8.571 8.408 1.00 1.26 C ATOM 0 H LEU B 76 10.699 8.751 4.425 1.00 0.98 H new ATOM 0 HA LEU B 76 11.875 7.578 6.656 1.00 1.01 H new ATOM 0 HB2 LEU B 76 9.192 7.254 5.295 1.00 1.08 H new ATOM 0 HB3 LEU B 76 9.588 6.374 6.758 1.00 1.08 H new ATOM 0 HG LEU B 76 9.530 9.407 6.522 1.00 1.03 H new ATOM 0 HD11 LEU B 76 7.419 9.141 7.869 1.00 1.45 H new ATOM 0 HD12 LEU B 76 7.289 8.301 6.305 1.00 1.45 H new ATOM 0 HD13 LEU B 76 7.607 7.373 7.790 1.00 1.45 H new ATOM 0 HD21 LEU B 76 9.640 9.427 8.965 1.00 1.26 H new ATOM 0 HD22 LEU B 76 9.840 7.658 8.976 1.00 1.26 H new ATOM 0 HD23 LEU B 76 11.092 8.691 8.246 1.00 1.26 H new ATOM 2742 N THR B 77 11.308 5.427 4.170 1.00 1.17 N ATOM 2743 CA THR B 77 11.616 4.082 3.665 1.00 1.21 C ATOM 2744 C THR B 77 13.105 3.894 3.373 1.00 1.25 C ATOM 2745 O THR B 77 13.675 2.880 3.764 1.00 1.31 O ATOM 2746 CB THR B 77 10.748 3.801 2.444 1.00 1.17 C ATOM 2747 OG1 THR B 77 9.407 3.836 2.863 1.00 1.16 O ATOM 2748 CG2 THR B 77 11.019 2.411 1.882 1.00 1.20 C ATOM 0 H THR B 77 10.774 5.996 3.513 1.00 1.17 H new ATOM 0 HA THR B 77 11.383 3.354 4.442 1.00 1.21 H new ATOM 0 HB THR B 77 10.966 4.542 1.675 1.00 1.17 H new ATOM 0 HG1 THR B 77 9.066 4.752 2.794 1.00 1.16 H new ATOM 0 HG21 THR B 77 10.385 2.240 1.012 1.00 1.20 H new ATOM 0 HG22 THR B 77 12.066 2.335 1.588 1.00 1.20 H new ATOM 0 HG23 THR B 77 10.800 1.662 2.643 1.00 1.20 H new ATOM 2756 N MET B 78 13.735 4.870 2.719 1.00 1.22 N ATOM 2757 CA MET B 78 15.179 4.930 2.431 1.00 1.25 C ATOM 2758 C MET B 78 16.008 4.805 3.708 1.00 1.29 C ATOM 2759 O MET B 78 16.970 4.042 3.752 1.00 1.36 O ATOM 2760 CB MET B 78 15.466 6.256 1.708 1.00 1.13 C ATOM 2761 CG MET B 78 16.940 6.580 1.470 1.00 1.25 C ATOM 2762 SD MET B 78 17.215 7.848 0.203 1.00 1.51 S ATOM 2763 CE MET B 78 16.143 9.183 0.801 1.00 1.35 C ATOM 0 H MET B 78 13.234 5.681 2.356 1.00 1.22 H new ATOM 0 HA MET B 78 15.463 4.091 1.795 1.00 1.25 H new ATOM 0 HB2 MET B 78 14.957 6.240 0.744 1.00 1.13 H new ATOM 0 HB3 MET B 78 15.025 7.067 2.288 1.00 1.13 H new ATOM 0 HG2 MET B 78 17.385 6.914 2.407 1.00 1.25 H new ATOM 0 HG3 MET B 78 17.460 5.668 1.177 1.00 1.25 H new ATOM 0 HE1 MET B 78 16.412 10.115 0.304 1.00 1.35 H new ATOM 0 HE2 MET B 78 15.103 8.941 0.581 1.00 1.35 H new ATOM 0 HE3 MET B 78 16.269 9.296 1.878 1.00 1.35 H new ATOM 2773 N LEU B 79 15.607 5.528 4.753 1.00 1.26 N ATOM 2774 CA LEU B 79 16.255 5.477 6.053 1.00 1.29 C ATOM 2775 C LEU B 79 15.923 4.184 6.811 1.00 1.20 C ATOM 2776 O LEU B 79 16.830 3.576 7.374 1.00 1.20 O ATOM 2777 CB LEU B 79 15.888 6.770 6.795 1.00 1.42 C ATOM 2778 CG LEU B 79 16.555 6.960 8.167 1.00 1.33 C ATOM 2779 CD1 LEU B 79 18.059 6.633 8.186 1.00 1.77 C ATOM 2780 CD2 LEU B 79 16.346 8.418 8.603 1.00 1.69 C ATOM 0 H LEU B 79 14.815 6.170 4.716 1.00 1.26 H new ATOM 0 HA LEU B 79 17.340 5.435 5.954 1.00 1.29 H new ATOM 0 HB2 LEU B 79 16.151 7.618 6.163 1.00 1.42 H new ATOM 0 HB3 LEU B 79 14.807 6.796 6.930 1.00 1.42 H new ATOM 0 HG LEU B 79 16.086 6.254 8.853 1.00 1.33 H new ATOM 0 HD11 LEU B 79 18.453 6.793 9.190 1.00 1.77 H new ATOM 0 HD12 LEU B 79 18.209 5.592 7.899 1.00 1.77 H new ATOM 0 HD13 LEU B 79 18.581 7.282 7.483 1.00 1.77 H new ATOM 0 HD21 LEU B 79 16.811 8.577 9.576 1.00 1.69 H new ATOM 0 HD22 LEU B 79 16.799 9.085 7.870 1.00 1.69 H new ATOM 0 HD23 LEU B 79 15.279 8.627 8.673 1.00 1.69 H new ATOM 2792 N CYS B 80 14.675 3.707 6.796 1.00 1.15 N ATOM 2793 CA CYS B 80 14.285 2.454 7.455 1.00 1.06 C ATOM 2794 C CYS B 80 14.970 1.217 6.838 1.00 1.03 C ATOM 2795 O CYS B 80 15.283 0.273 7.550 1.00 1.03 O ATOM 2796 CB CYS B 80 12.755 2.341 7.434 1.00 1.01 C ATOM 2797 SG CYS B 80 12.245 1.049 8.601 1.00 1.03 S ATOM 0 H CYS B 80 13.903 4.179 6.325 1.00 1.15 H new ATOM 0 HA CYS B 80 14.630 2.481 8.489 1.00 1.06 H new ATOM 0 HB2 CYS B 80 12.303 3.295 7.706 1.00 1.01 H new ATOM 0 HB3 CYS B 80 12.409 2.099 6.429 1.00 1.01 H new ATOM 0 HG CYS B 80 13.202 0.179 8.731 1.00 1.03 H new ATOM 2803 N MET B 81 15.286 1.216 5.534 1.00 1.13 N ATOM 2804 CA MET B 81 16.036 0.113 4.915 1.00 1.15 C ATOM 2805 C MET B 81 17.516 0.080 5.319 1.00 1.22 C ATOM 2806 O MET B 81 18.172 -0.949 5.126 1.00 1.34 O ATOM 2807 CB MET B 81 15.790 0.057 3.400 1.00 1.35 C ATOM 2808 CG MET B 81 16.452 1.177 2.586 1.00 2.33 C ATOM 2809 SD MET B 81 16.613 0.833 0.812 1.00 3.01 S ATOM 2810 CE MET B 81 17.610 -0.671 0.937 1.00 3.44 C ATOM 0 H MET B 81 15.034 1.965 4.889 1.00 1.13 H new ATOM 0 HA MET B 81 15.640 -0.818 5.321 1.00 1.15 H new ATOM 0 HB2 MET B 81 16.148 -0.902 3.026 1.00 1.35 H new ATOM 0 HB3 MET B 81 14.715 0.087 3.222 1.00 1.35 H new ATOM 0 HG2 MET B 81 15.872 2.091 2.714 1.00 2.33 H new ATOM 0 HG3 MET B 81 17.444 1.368 2.996 1.00 2.33 H new ATOM 0 HE1 MET B 81 18.263 -0.748 0.068 1.00 3.44 H new ATOM 0 HE2 MET B 81 18.215 -0.632 1.843 1.00 3.44 H new ATOM 0 HE3 MET B 81 16.954 -1.540 0.976 1.00 3.44 H new ATOM 2820 N ALA B 82 18.034 1.154 5.931 1.00 1.30 N ATOM 2821 CA ALA B 82 19.365 1.197 6.533 1.00 1.54 C ATOM 2822 C ALA B 82 19.445 0.514 7.920 1.00 1.48 C ATOM 2823 O ALA B 82 20.536 0.436 8.491 1.00 1.78 O ATOM 2824 CB ALA B 82 19.849 2.656 6.576 1.00 1.73 C ATOM 0 H ALA B 82 17.525 2.033 6.021 1.00 1.30 H new ATOM 0 HA ALA B 82 20.034 0.610 5.904 1.00 1.54 H new ATOM 0 HB1 ALA B 82 20.842 2.697 7.024 1.00 1.73 H new ATOM 0 HB2 ALA B 82 19.891 3.055 5.563 1.00 1.73 H new ATOM 0 HB3 ALA B 82 19.157 3.251 7.172 1.00 1.73 H new ATOM 2830 N TYR B 83 18.317 0.038 8.464 1.00 1.31 N ATOM 2831 CA TYR B 83 18.205 -0.719 9.718 1.00 1.54 C ATOM 2832 C TYR B 83 16.828 -1.423 9.832 1.00 1.65 C ATOM 2833 O TYR B 83 15.823 -0.782 10.115 1.00 2.90 O ATOM 2834 CB TYR B 83 18.490 0.200 10.928 1.00 1.57 C ATOM 2835 CG TYR B 83 17.468 1.302 11.183 1.00 1.27 C ATOM 2836 CD1 TYR B 83 17.469 2.484 10.418 1.00 2.03 C ATOM 2837 CD2 TYR B 83 16.451 1.095 12.130 1.00 2.42 C ATOM 2838 CE1 TYR B 83 16.440 3.433 10.574 1.00 2.26 C ATOM 2839 CE2 TYR B 83 15.378 1.995 12.237 1.00 2.26 C ATOM 2840 CZ TYR B 83 15.369 3.176 11.462 1.00 1.34 C ATOM 2841 OH TYR B 83 14.325 4.048 11.552 1.00 1.60 O ATOM 0 H TYR B 83 17.411 0.178 8.018 1.00 1.31 H new ATOM 0 HA TYR B 83 18.958 -1.507 9.715 1.00 1.54 H new ATOM 0 HB2 TYR B 83 18.558 -0.420 11.822 1.00 1.57 H new ATOM 0 HB3 TYR B 83 19.467 0.663 10.786 1.00 1.57 H new ATOM 0 HD1 TYR B 83 18.263 2.664 9.708 1.00 2.03 H new ATOM 0 HD2 TYR B 83 16.495 0.235 12.782 1.00 2.42 H new ATOM 0 HE1 TYR B 83 16.469 4.357 10.016 1.00 2.26 H new ATOM 0 HE2 TYR B 83 14.561 1.784 12.911 1.00 2.26 H new ATOM 0 HH TYR B 83 13.678 3.717 12.209 1.00 1.60 H new ATOM 2851 N ASN B 84 16.760 -2.741 9.635 1.00 1.80 N ATOM 2852 CA ASN B 84 15.529 -3.529 9.820 1.00 1.76 C ATOM 2853 C ASN B 84 15.796 -5.041 9.918 1.00 2.29 C ATOM 2854 O ASN B 84 15.153 -5.869 9.275 1.00 2.81 O ATOM 2855 CB ASN B 84 14.372 -3.117 8.875 1.00 1.63 C ATOM 2856 CG ASN B 84 14.658 -3.029 7.373 1.00 2.98 C ATOM 2857 OD1 ASN B 84 15.660 -3.485 6.832 1.00 4.42 O ATOM 2858 ND2 ASN B 84 13.735 -2.437 6.635 1.00 3.57 N ATOM 0 H ASN B 84 17.561 -3.300 9.340 1.00 1.80 H new ATOM 0 HA ASN B 84 15.144 -3.262 10.804 1.00 1.76 H new ATOM 0 HB2 ASN B 84 13.557 -3.827 9.017 1.00 1.63 H new ATOM 0 HB3 ASN B 84 14.007 -2.143 9.202 1.00 1.63 H new ATOM 0 HD21 ASN B 84 13.860 -2.363 5.625 1.00 3.57 H new ATOM 0 HD22 ASN B 84 12.898 -2.055 7.075 1.00 3.57 H new ATOM 2865 N ASP B 85 16.726 -5.374 10.812 1.00 2.52 N ATOM 2866 CA ASP B 85 17.187 -6.725 11.127 1.00 2.96 C ATOM 2867 C ASP B 85 16.107 -7.623 11.770 1.00 3.23 C ATOM 2868 O ASP B 85 16.170 -8.844 11.648 1.00 3.55 O ATOM 2869 CB ASP B 85 18.427 -6.606 12.033 1.00 3.56 C ATOM 2870 CG ASP B 85 18.177 -5.774 13.303 1.00 4.66 C ATOM 2871 OD1 ASP B 85 18.037 -4.536 13.160 1.00 4.98 O ATOM 2872 OD2 ASP B 85 18.090 -6.375 14.397 1.00 5.78 O ATOM 0 H ASP B 85 17.206 -4.666 11.368 1.00 2.52 H new ATOM 0 HA ASP B 85 17.436 -7.224 10.190 1.00 2.96 H new ATOM 0 HB2 ASP B 85 18.755 -7.605 12.320 1.00 3.56 H new ATOM 0 HB3 ASP B 85 19.241 -6.154 11.466 1.00 3.56 H new ATOM 2877 N PHE B 86 15.085 -7.026 12.397 1.00 3.36 N ATOM 2878 CA PHE B 86 14.022 -7.706 13.151 1.00 3.88 C ATOM 2879 C PHE B 86 13.162 -8.698 12.336 1.00 3.91 C ATOM 2880 O PHE B 86 12.395 -9.459 12.930 1.00 4.52 O ATOM 2881 CB PHE B 86 13.135 -6.634 13.818 1.00 4.10 C ATOM 2882 CG PHE B 86 13.650 -6.107 15.149 1.00 4.59 C ATOM 2883 CD1 PHE B 86 14.846 -5.367 15.223 1.00 4.37 C ATOM 2884 CD2 PHE B 86 12.918 -6.359 16.329 1.00 5.95 C ATOM 2885 CE1 PHE B 86 15.305 -4.885 16.462 1.00 5.19 C ATOM 2886 CE2 PHE B 86 13.375 -5.871 17.565 1.00 6.59 C ATOM 2887 CZ PHE B 86 14.568 -5.132 17.633 1.00 6.08 C ATOM 0 H PHE B 86 14.971 -6.012 12.393 1.00 3.36 H new ATOM 0 HA PHE B 86 14.519 -8.333 13.891 1.00 3.88 H new ATOM 0 HB2 PHE B 86 13.026 -5.795 13.130 1.00 4.10 H new ATOM 0 HB3 PHE B 86 12.140 -7.052 13.971 1.00 4.10 H new ATOM 0 HD1 PHE B 86 15.413 -5.169 14.325 1.00 4.37 H new ATOM 0 HD2 PHE B 86 12.002 -6.930 16.282 1.00 5.95 H new ATOM 0 HE1 PHE B 86 16.226 -4.324 16.514 1.00 5.19 H new ATOM 0 HE2 PHE B 86 12.808 -6.064 18.464 1.00 6.59 H new ATOM 0 HZ PHE B 86 14.918 -4.755 18.583 1.00 6.08 H new ATOM 2897 N PHE B 87 13.265 -8.706 10.999 1.00 3.49 N ATOM 2898 CA PHE B 87 12.631 -9.708 10.123 1.00 3.79 C ATOM 2899 C PHE B 87 13.614 -10.422 9.176 1.00 3.74 C ATOM 2900 O PHE B 87 13.190 -11.142 8.272 1.00 4.10 O ATOM 2901 CB PHE B 87 11.424 -9.082 9.404 1.00 4.00 C ATOM 2902 CG PHE B 87 11.728 -8.207 8.200 1.00 3.56 C ATOM 2903 CD1 PHE B 87 12.169 -6.880 8.364 1.00 3.22 C ATOM 2904 CD2 PHE B 87 11.549 -8.726 6.904 1.00 4.83 C ATOM 2905 CE1 PHE B 87 12.463 -6.094 7.234 1.00 4.02 C ATOM 2906 CE2 PHE B 87 11.820 -7.927 5.782 1.00 5.76 C ATOM 2907 CZ PHE B 87 12.302 -6.621 5.943 1.00 5.32 C ATOM 0 H PHE B 87 13.800 -8.006 10.485 1.00 3.49 H new ATOM 0 HA PHE B 87 12.264 -10.516 10.756 1.00 3.79 H new ATOM 0 HB2 PHE B 87 10.764 -9.888 9.082 1.00 4.00 H new ATOM 0 HB3 PHE B 87 10.869 -8.485 10.127 1.00 4.00 H new ATOM 0 HD1 PHE B 87 12.281 -6.466 9.355 1.00 3.22 H new ATOM 0 HD2 PHE B 87 11.203 -9.740 6.773 1.00 4.83 H new ATOM 0 HE1 PHE B 87 12.814 -5.081 7.361 1.00 4.02 H new ATOM 0 HE2 PHE B 87 11.656 -8.321 4.790 1.00 5.76 H new ATOM 0 HZ PHE B 87 12.548 -6.023 5.078 1.00 5.32 H new ATOM 2917 N LEU B 88 14.924 -10.238 9.381 1.00 3.45 N ATOM 2918 CA LEU B 88 16.016 -10.785 8.570 1.00 3.42 C ATOM 2919 C LEU B 88 16.529 -12.095 9.199 1.00 4.07 C ATOM 2920 O LEU B 88 15.723 -12.995 9.432 1.00 4.37 O ATOM 2921 CB LEU B 88 17.068 -9.668 8.328 1.00 2.91 C ATOM 2922 CG LEU B 88 16.722 -8.602 7.256 1.00 2.64 C ATOM 2923 CD1 LEU B 88 17.405 -8.954 5.920 1.00 2.64 C ATOM 2924 CD2 LEU B 88 15.223 -8.384 6.992 1.00 3.94 C ATOM 0 H LEU B 88 15.268 -9.674 10.158 1.00 3.45 H new ATOM 0 HA LEU B 88 15.688 -11.084 7.574 1.00 3.42 H new ATOM 0 HB2 LEU B 88 17.242 -9.155 9.274 1.00 2.91 H new ATOM 0 HB3 LEU B 88 18.008 -10.142 8.045 1.00 2.91 H new ATOM 0 HG LEU B 88 17.095 -7.667 7.675 1.00 2.64 H new ATOM 0 HD11 LEU B 88 17.156 -8.199 5.174 1.00 2.64 H new ATOM 0 HD12 LEU B 88 18.486 -8.983 6.060 1.00 2.64 H new ATOM 0 HD13 LEU B 88 17.057 -9.929 5.580 1.00 2.64 H new ATOM 0 HD21 LEU B 88 15.096 -7.619 6.226 1.00 3.94 H new ATOM 0 HD22 LEU B 88 14.774 -9.317 6.651 1.00 3.94 H new ATOM 0 HD23 LEU B 88 14.735 -8.062 7.912 1.00 3.94 H new ATOM 2936 N GLU B 89 17.839 -12.212 9.400 1.00 4.54 N ATOM 2937 CA GLU B 89 18.649 -13.408 9.709 1.00 5.17 C ATOM 2938 C GLU B 89 20.138 -13.034 9.640 1.00 4.76 C ATOM 2939 O GLU B 89 20.922 -13.483 10.471 1.00 5.33 O ATOM 2940 CB GLU B 89 18.348 -14.566 8.735 1.00 5.74 C ATOM 2941 CG GLU B 89 17.522 -15.683 9.387 1.00 6.89 C ATOM 2942 CD GLU B 89 16.870 -16.561 8.322 1.00 7.34 C ATOM 2943 OE1 GLU B 89 15.998 -16.013 7.605 1.00 7.24 O ATOM 2944 OE2 GLU B 89 17.195 -17.760 8.256 1.00 8.29 O ATOM 0 H GLU B 89 18.433 -11.384 9.346 1.00 4.54 H new ATOM 0 HA GLU B 89 18.394 -13.751 10.712 1.00 5.17 H new ATOM 0 HB2 GLU B 89 17.810 -14.178 7.870 1.00 5.74 H new ATOM 0 HB3 GLU B 89 19.287 -14.980 8.367 1.00 5.74 H new ATOM 0 HG2 GLU B 89 18.163 -16.291 10.025 1.00 6.89 H new ATOM 0 HG3 GLU B 89 16.755 -15.249 10.028 1.00 6.89 H new ATOM 2951 N ASP B 90 20.488 -12.161 8.689 1.00 4.07 N ATOM 2952 CA ASP B 90 21.784 -11.500 8.510 1.00 4.04 C ATOM 2953 C ASP B 90 21.599 -10.219 7.660 1.00 4.22 C ATOM 2954 O ASP B 90 20.527 -10.015 7.090 1.00 4.64 O ATOM 2955 CB ASP B 90 22.787 -12.480 7.863 1.00 4.34 C ATOM 2956 CG ASP B 90 24.145 -11.822 7.625 1.00 4.97 C ATOM 2957 OD1 ASP B 90 24.649 -11.188 8.581 1.00 6.12 O ATOM 2958 OD2 ASP B 90 24.602 -11.810 6.460 1.00 4.97 O ATOM 0 H ASP B 90 19.822 -11.877 7.971 1.00 4.07 H new ATOM 0 HA ASP B 90 22.189 -11.205 9.478 1.00 4.04 H new ATOM 0 HB2 ASP B 90 22.912 -13.351 8.507 1.00 4.34 H new ATOM 0 HB3 ASP B 90 22.385 -12.839 6.915 1.00 4.34 H new ATOM 2963 N ASN B 91 22.638 -9.369 7.592 1.00 4.75 N ATOM 2964 CA ASN B 91 22.855 -8.174 6.759 1.00 5.51 C ATOM 2965 C ASN B 91 22.761 -6.890 7.609 1.00 6.83 C ATOM 2966 O ASN B 91 23.780 -6.424 8.113 1.00 7.99 O ATOM 2967 CB ASN B 91 22.002 -8.085 5.467 1.00 5.70 C ATOM 2968 CG ASN B 91 22.254 -9.151 4.394 1.00 5.76 C ATOM 2969 OD1 ASN B 91 21.750 -9.025 3.285 1.00 6.42 O ATOM 2970 ND2 ASN B 91 23.056 -10.176 4.618 1.00 5.80 N ATOM 0 H ASN B 91 23.446 -9.524 8.195 1.00 4.75 H new ATOM 0 HA ASN B 91 23.871 -8.279 6.379 1.00 5.51 H new ATOM 0 HB2 ASN B 91 20.951 -8.131 5.751 1.00 5.70 H new ATOM 0 HB3 ASN B 91 22.168 -7.106 5.018 1.00 5.70 H new ATOM 0 HD21 ASN B 91 23.247 -10.847 3.873 1.00 5.80 H new ATOM 0 HD22 ASN B 91 23.485 -10.297 5.536 1.00 5.80 H new ATOM 2977 N LYS B 92 21.560 -6.293 7.732 1.00 7.06 N ATOM 2978 CA LYS B 92 21.234 -5.071 8.484 1.00 8.66 C ATOM 2979 C LYS B 92 19.719 -4.887 8.627 1.00 9.44 C ATOM 2980 O LYS B 92 18.991 -5.799 8.188 1.00 9.08 O ATOM 2981 CB LYS B 92 21.946 -3.854 7.851 1.00 8.98 C ATOM 2982 CG LYS B 92 21.274 -3.129 6.669 1.00 9.26 C ATOM 2983 CD LYS B 92 20.721 -3.901 5.453 1.00 8.49 C ATOM 2984 CE LYS B 92 19.298 -4.490 5.563 1.00 8.98 C ATOM 2985 NZ LYS B 92 18.345 -3.598 6.274 1.00 9.80 N ATOM 2986 OXT LYS B 92 19.275 -3.745 8.877 1.00 10.65 O ATOM 0 H LYS B 92 20.735 -6.681 7.275 1.00 7.06 H new ATOM 0 HA LYS B 92 21.611 -5.166 9.502 1.00 8.66 H new ATOM 0 HB2 LYS B 92 22.106 -3.119 8.640 1.00 8.98 H new ATOM 0 HB3 LYS B 92 22.930 -4.184 7.518 1.00 8.98 H new ATOM 0 HG2 LYS B 92 20.445 -2.554 7.081 1.00 9.26 H new ATOM 0 HG3 LYS B 92 21.999 -2.412 6.285 1.00 9.26 H new ATOM 0 HD2 LYS B 92 20.741 -3.231 4.593 1.00 8.49 H new ATOM 0 HD3 LYS B 92 21.407 -4.720 5.235 1.00 8.49 H new ATOM 0 HE2 LYS B 92 18.918 -4.692 4.562 1.00 8.98 H new ATOM 0 HE3 LYS B 92 19.347 -5.446 6.084 1.00 8.98 H new ATOM 0 HZ1 LYS B 92 17.402 -4.036 6.284 1.00 9.80 H new ATOM 0 HZ2 LYS B 92 18.669 -3.452 7.251 1.00 9.80 H new ATOM 0 HZ3 LYS B 92 18.296 -2.682 5.785 1.00 9.80 H new TER 3000 LYS B 92