USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=68 USER MOD reduce.3.24.130724 removed 1371 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 80 CYS SG : rot -18:sc= 0.524 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.557 K(o=1.1,f=0.54) USER MOD Set 2.1: B 35 LYS NZ :NH3+ 167:sc= 2.21 (180deg=1.03) USER MOD Set 2.2: B 63 SER OG : rot 53:sc= 0.916 USER MOD Set 3.1: B 15 THR OG1 : rot 156:sc= 1.24 USER MOD Set 3.2: B 72 TYR OH : rot 165:sc= 0.788 USER MOD Set 4.1: B 7 LYS NZ :NH3+ -173:sc= 2.41 (180deg=2.32) USER MOD Set 4.2: B 10 THR OG1 : rot -66:sc= 0.663 USER MOD Set 5.1: A 77 THR OG1 : rot 91:sc= 1.77 USER MOD Set 5.2: B 73 SER OG : rot -169:sc= 0.579 USER MOD Set 6.1: A 73 SER OG : rot -172:sc= 0.221 USER MOD Set 6.2: B 77 THR OG1 : rot 94:sc= 1.47 USER MOD Set 7.1: A 62 ASN : amide:sc= 0.63 K(o=0.51,f=-2.5) USER MOD Set 7.2: A 65 GLN : amide:sc= -0.124 K(o=0.51,f=-5.2!) USER MOD Set 8.1: A 25 SER OG : rot 175:sc= 1.52 USER MOD Set 8.2: A 28 THR OG1 : rot 139:sc= 2.24 USER MOD Set 9.1: A 15 THR OG1 : rot 21:sc= 1.11 USER MOD Set 9.2: A 72 TYR OH : rot 166:sc= 0.0498 USER MOD Single : A 3 THR OG1 : rot 149:sc= 1.19 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.411 (180deg=-1.27!) USER MOD Single : A 10 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 11 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 17 HIS : no HE2:sc= 0.412 K(o=0.41,f=-2.7!) USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= 0.717 (180deg=-0.362!) USER MOD Single : A 19 TYR OH : rot 170:sc= 1.32 USER MOD Single : A 20 SER OG : rot -75:sc= 1.06 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -144:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.11 (180deg=-0.388) USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 1.74 (180deg=0.272!) USER MOD Single : A 39 LYS NZ :NH3+ 164:sc= 1.03 (180deg=0.391) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.17) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.22 USER MOD Single : A 51 SER OG : rot 132:sc= 1.26 USER MOD Single : A 56 MET CE :methyl 146:sc= -0.477 (180deg=-2.95!) USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= 0.929 (180deg=0.571) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -75:sc= 1.21 USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= -0.0071 (180deg=-0.0164) USER MOD Single : A 78 MET CE :methyl -120:sc= 0 (180deg=-0.907) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -137:sc=-0.00361 (180deg=-0.118) USER MOD Single : A 83 TYR OH : rot 130:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.636 K(o=-0.64,f=-3!) USER MOD Single : B 3 THR OG1 : rot 113:sc= 0.518 USER MOD Single : B 11 THR OG1 : rot 74:sc= 1.2 USER MOD Single : B 12 MET CE :methyl 151:sc= 0 (180deg=-0.682) USER MOD Single : B 14 THR OG1 : rot 98:sc= 1.2 USER MOD Single : B 17 HIS : no HE2:sc= -0.25 K(o=-0.25,f=-1.6) USER MOD Single : B 18 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.08) USER MOD Single : B 19 TYR OH : rot 30:sc= 0 USER MOD Single : B 20 SER OG : rot -81:sc= 0.607 USER MOD Single : B 25 SER OG : rot 100:sc= 1.22 USER MOD Single : B 26 LYS NZ :NH3+ 178:sc= 0.795 (180deg=0.793) USER MOD Single : B 28 THR OG1 : rot 137:sc= 1.29 USER MOD Single : B 30 SER OG : rot 138:sc= 1.21 USER MOD Single : B 32 LYS NZ :NH3+ 162:sc= 2.51 (180deg=1.22) USER MOD Single : B 39 LYS NZ :NH3+ -149:sc= 0.446 (180deg=-0.515!) USER MOD Single : B 40 LYS NZ :NH3+ -145:sc= 1.3 (180deg=0.356) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -123:sc=-0.00814 (180deg=-0.265) USER MOD Single : B 48 LYS NZ :NH3+ 139:sc= 1.17 (180deg=0.397) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 56 MET CE :methyl -160:sc= -0.343 (180deg=-1.81) USER MOD Single : B 57 LYS NZ :NH3+ -156:sc= -0.0885 (180deg=-0.891) USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 61 LYS NZ :NH3+ 155:sc= 0.989 (180deg=0.62) USER MOD Single : B 62 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : B 65 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : B 70 LYS NZ :NH3+ -159:sc= 0.511 (180deg=0.333) USER MOD Single : B 78 MET CE :methyl 144:sc=-0.00952 (180deg=-1.91!) USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.754 3.376 21.668 1.00 1.67 N ATOM 18 CA GLU A 2 8.632 3.406 20.737 1.00 1.56 C ATOM 19 C GLU A 2 8.040 4.819 20.791 1.00 1.13 C ATOM 20 O GLU A 2 7.881 5.391 21.871 1.00 1.50 O ATOM 21 CB GLU A 2 7.577 2.325 21.036 1.00 3.13 C ATOM 22 CG GLU A 2 6.409 2.457 20.044 1.00 4.72 C ATOM 23 CD GLU A 2 5.546 1.206 19.950 1.00 5.63 C ATOM 24 OE1 GLU A 2 5.812 0.369 19.060 1.00 6.20 O ATOM 25 OE2 GLU A 2 4.498 1.125 20.626 1.00 6.29 O ATOM 0 HA GLU A 2 8.982 3.175 19.731 1.00 1.56 H new ATOM 0 HB2 GLU A 2 8.024 1.334 20.957 1.00 3.13 H new ATOM 0 HB3 GLU A 2 7.213 2.430 22.058 1.00 3.13 H new ATOM 0 HG2 GLU A 2 5.783 3.298 20.342 1.00 4.72 H new ATOM 0 HG3 GLU A 2 6.807 2.689 19.056 1.00 4.72 H new ATOM 32 N THR A 3 7.722 5.362 19.617 1.00 0.95 N ATOM 33 CA THR A 3 6.856 6.529 19.386 1.00 0.93 C ATOM 34 C THR A 3 5.848 6.138 18.299 1.00 0.92 C ATOM 35 O THR A 3 6.153 5.212 17.551 1.00 1.05 O ATOM 36 CB THR A 3 7.690 7.739 18.946 1.00 1.03 C ATOM 37 OG1 THR A 3 8.117 7.554 17.619 1.00 1.10 O ATOM 38 CG2 THR A 3 8.920 7.990 19.821 1.00 1.43 C ATOM 0 H THR A 3 8.082 4.978 18.743 1.00 0.95 H new ATOM 0 HA THR A 3 6.338 6.812 20.302 1.00 0.93 H new ATOM 0 HB THR A 3 7.041 8.609 19.044 1.00 1.03 H new ATOM 0 HG1 THR A 3 8.194 8.425 17.176 1.00 1.10 H new ATOM 0 HG21 THR A 3 9.460 8.861 19.449 1.00 1.43 H new ATOM 0 HG22 THR A 3 8.605 8.170 20.849 1.00 1.43 H new ATOM 0 HG23 THR A 3 9.573 7.118 19.790 1.00 1.43 H new ATOM 46 N PRO A 4 4.678 6.792 18.151 1.00 1.11 N ATOM 47 CA PRO A 4 3.637 6.337 17.221 1.00 1.26 C ATOM 48 C PRO A 4 4.121 6.229 15.767 1.00 1.09 C ATOM 49 O PRO A 4 3.716 5.273 15.115 1.00 1.20 O ATOM 50 CB PRO A 4 2.471 7.320 17.389 1.00 1.59 C ATOM 51 CG PRO A 4 3.108 8.557 18.017 1.00 1.52 C ATOM 52 CD PRO A 4 4.224 7.964 18.876 1.00 1.42 C ATOM 0 HA PRO A 4 3.331 5.318 17.457 1.00 1.26 H new ATOM 0 HB2 PRO A 4 2.007 7.554 16.431 1.00 1.59 H new ATOM 0 HB3 PRO A 4 1.691 6.906 18.028 1.00 1.59 H new ATOM 0 HG2 PRO A 4 3.498 9.239 17.261 1.00 1.52 H new ATOM 0 HG3 PRO A 4 2.393 9.121 18.616 1.00 1.52 H new ATOM 0 HD2 PRO A 4 5.035 8.679 19.017 1.00 1.42 H new ATOM 0 HD3 PRO A 4 3.858 7.697 19.868 1.00 1.42 H new ATOM 60 N LEU A 5 5.003 7.101 15.249 1.00 0.95 N ATOM 61 CA LEU A 5 5.522 6.926 13.879 1.00 0.96 C ATOM 62 C LEU A 5 6.513 5.758 13.773 1.00 0.91 C ATOM 63 O LEU A 5 6.393 4.945 12.852 1.00 1.10 O ATOM 64 CB LEU A 5 6.149 8.218 13.332 1.00 0.98 C ATOM 65 CG LEU A 5 6.450 8.058 11.820 1.00 1.18 C ATOM 66 CD1 LEU A 5 5.200 8.293 10.954 1.00 1.61 C ATOM 67 CD2 LEU A 5 7.640 8.891 11.348 1.00 2.04 C ATOM 0 H LEU A 5 5.365 7.916 15.743 1.00 0.95 H new ATOM 0 HA LEU A 5 4.659 6.682 13.260 1.00 0.96 H new ATOM 0 HB2 LEU A 5 5.471 9.057 13.490 1.00 0.98 H new ATOM 0 HB3 LEU A 5 7.068 8.444 13.873 1.00 0.98 H new ATOM 0 HG LEU A 5 6.745 7.017 11.685 1.00 1.18 H new ATOM 0 HD11 LEU A 5 5.458 8.171 9.902 1.00 1.61 H new ATOM 0 HD12 LEU A 5 4.429 7.572 11.225 1.00 1.61 H new ATOM 0 HD13 LEU A 5 4.827 9.303 11.121 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.795 8.732 10.281 1.00 2.04 H new ATOM 0 HD22 LEU A 5 7.441 9.947 11.532 1.00 2.04 H new ATOM 0 HD23 LEU A 5 8.534 8.590 11.894 1.00 2.04 H new ATOM 79 N GLU A 6 7.437 5.635 14.729 1.00 0.85 N ATOM 80 CA GLU A 6 8.284 4.446 14.881 1.00 1.07 C ATOM 81 C GLU A 6 7.405 3.168 14.924 1.00 1.17 C ATOM 82 O GLU A 6 7.747 2.134 14.352 1.00 1.43 O ATOM 83 CB GLU A 6 9.157 4.681 16.136 1.00 1.26 C ATOM 84 CG GLU A 6 10.268 3.666 16.413 1.00 1.72 C ATOM 85 CD GLU A 6 11.194 4.125 17.559 1.00 3.25 C ATOM 86 OE1 GLU A 6 10.690 4.613 18.598 1.00 4.46 O ATOM 87 OE2 GLU A 6 12.436 3.981 17.472 1.00 4.09 O ATOM 0 H GLU A 6 7.621 6.360 15.423 1.00 0.85 H new ATOM 0 HA GLU A 6 8.951 4.287 14.034 1.00 1.07 H new ATOM 0 HB2 GLU A 6 9.614 5.667 16.051 1.00 1.26 H new ATOM 0 HB3 GLU A 6 8.500 4.708 17.005 1.00 1.26 H new ATOM 0 HG2 GLU A 6 9.825 2.703 16.668 1.00 1.72 H new ATOM 0 HG3 GLU A 6 10.857 3.516 15.508 1.00 1.72 H new ATOM 94 N LYS A 7 6.181 3.279 15.465 1.00 1.04 N ATOM 95 CA LYS A 7 5.161 2.245 15.560 1.00 1.12 C ATOM 96 C LYS A 7 4.416 2.059 14.219 1.00 1.06 C ATOM 97 O LYS A 7 4.047 0.938 13.864 1.00 1.21 O ATOM 98 CB LYS A 7 4.279 2.666 16.764 1.00 1.30 C ATOM 99 CG LYS A 7 2.762 2.560 16.650 1.00 1.85 C ATOM 100 CD LYS A 7 2.345 1.106 16.759 1.00 2.97 C ATOM 101 CE LYS A 7 2.213 0.660 18.226 1.00 3.45 C ATOM 102 NZ LYS A 7 3.268 -0.286 18.661 1.00 4.01 N ATOM 0 H LYS A 7 5.865 4.159 15.873 1.00 1.04 H new ATOM 0 HA LYS A 7 5.566 1.249 15.741 1.00 1.12 H new ATOM 0 HB2 LYS A 7 4.586 2.066 17.621 1.00 1.30 H new ATOM 0 HB3 LYS A 7 4.518 3.703 16.999 1.00 1.30 H new ATOM 0 HG2 LYS A 7 2.286 3.145 17.437 1.00 1.85 H new ATOM 0 HG3 LYS A 7 2.429 2.974 15.698 1.00 1.85 H new ATOM 0 HD2 LYS A 7 1.393 0.961 16.248 1.00 2.97 H new ATOM 0 HD3 LYS A 7 3.078 0.478 16.252 1.00 2.97 H new ATOM 0 HE2 LYS A 7 2.241 1.541 18.868 1.00 3.45 H new ATOM 0 HE3 LYS A 7 1.238 0.193 18.368 1.00 3.45 H new ATOM 0 HZ1 LYS A 7 3.413 -0.196 19.687 1.00 4.01 H new ATOM 0 HZ2 LYS A 7 2.976 -1.259 18.437 1.00 4.01 H new ATOM 0 HZ3 LYS A 7 4.156 -0.068 18.165 1.00 4.01 H new ATOM 116 N ALA A 8 4.205 3.121 13.439 1.00 0.89 N ATOM 117 CA ALA A 8 3.566 3.104 12.124 1.00 0.80 C ATOM 118 C ALA A 8 4.410 2.323 11.116 1.00 0.66 C ATOM 119 O ALA A 8 3.909 1.371 10.533 1.00 0.67 O ATOM 120 CB ALA A 8 3.323 4.546 11.656 1.00 0.92 C ATOM 0 H ALA A 8 4.489 4.059 13.721 1.00 0.89 H new ATOM 0 HA ALA A 8 2.605 2.595 12.199 1.00 0.80 H new ATOM 0 HB1 ALA A 8 2.847 4.535 10.676 1.00 0.92 H new ATOM 0 HB2 ALA A 8 2.675 5.055 12.369 1.00 0.92 H new ATOM 0 HB3 ALA A 8 4.275 5.073 11.591 1.00 0.92 H new ATOM 126 N LEU A 9 5.702 2.649 10.983 1.00 0.66 N ATOM 127 CA LEU A 9 6.634 1.915 10.118 1.00 0.66 C ATOM 128 C LEU A 9 6.728 0.440 10.546 1.00 0.66 C ATOM 129 O LEU A 9 6.657 -0.441 9.687 1.00 0.65 O ATOM 130 CB LEU A 9 8.011 2.615 10.135 1.00 0.76 C ATOM 131 CG LEU A 9 8.196 3.817 9.174 1.00 0.75 C ATOM 132 CD1 LEU A 9 8.345 3.348 7.715 1.00 0.91 C ATOM 133 CD2 LEU A 9 7.074 4.864 9.259 1.00 0.91 C ATOM 0 H LEU A 9 6.132 3.433 11.475 1.00 0.66 H new ATOM 0 HA LEU A 9 6.263 1.921 9.093 1.00 0.66 H new ATOM 0 HB2 LEU A 9 8.204 2.959 11.151 1.00 0.76 H new ATOM 0 HB3 LEU A 9 8.773 1.872 9.900 1.00 0.76 H new ATOM 0 HG LEU A 9 9.113 4.303 9.506 1.00 0.75 H new ATOM 0 HD11 LEU A 9 8.473 4.214 7.066 1.00 0.91 H new ATOM 0 HD12 LEU A 9 9.216 2.698 7.629 1.00 0.91 H new ATOM 0 HD13 LEU A 9 7.452 2.799 7.416 1.00 0.91 H new ATOM 0 HD21 LEU A 9 7.277 5.672 8.556 1.00 0.91 H new ATOM 0 HD22 LEU A 9 6.121 4.397 9.010 1.00 0.91 H new ATOM 0 HD23 LEU A 9 7.027 5.266 10.271 1.00 0.91 H new ATOM 145 N THR A 10 6.766 0.180 11.867 1.00 0.69 N ATOM 146 CA THR A 10 6.711 -1.165 12.470 1.00 0.73 C ATOM 147 C THR A 10 5.450 -1.925 12.057 1.00 0.66 C ATOM 148 O THR A 10 5.534 -3.082 11.647 1.00 0.67 O ATOM 149 CB THR A 10 6.831 -1.057 13.992 1.00 0.92 C ATOM 150 OG1 THR A 10 8.097 -0.517 14.267 1.00 1.25 O ATOM 151 CG2 THR A 10 6.754 -2.421 14.678 1.00 1.12 C ATOM 0 H THR A 10 6.838 0.921 12.564 1.00 0.69 H new ATOM 0 HA THR A 10 7.555 -1.743 12.094 1.00 0.73 H new ATOM 0 HB THR A 10 6.010 -0.443 14.363 1.00 0.92 H new ATOM 0 HG1 THR A 10 8.074 0.454 14.137 1.00 1.25 H new ATOM 0 HG21 THR A 10 6.844 -2.291 15.757 1.00 1.12 H new ATOM 0 HG22 THR A 10 5.798 -2.891 14.447 1.00 1.12 H new ATOM 0 HG23 THR A 10 7.565 -3.055 14.320 1.00 1.12 H new ATOM 159 N THR A 11 4.288 -1.266 12.100 1.00 0.65 N ATOM 160 CA THR A 11 2.993 -1.806 11.651 1.00 0.66 C ATOM 161 C THR A 11 3.055 -2.125 10.164 1.00 0.59 C ATOM 162 O THR A 11 2.757 -3.253 9.788 1.00 0.65 O ATOM 163 CB THR A 11 1.862 -0.822 11.992 1.00 0.76 C ATOM 164 OG1 THR A 11 1.873 -0.601 13.385 1.00 1.05 O ATOM 165 CG2 THR A 11 0.473 -1.342 11.621 1.00 0.85 C ATOM 0 H THR A 11 4.216 -0.314 12.458 1.00 0.65 H new ATOM 0 HA THR A 11 2.778 -2.736 12.177 1.00 0.66 H new ATOM 0 HB THR A 11 2.044 0.085 11.416 1.00 0.76 H new ATOM 0 HG1 THR A 11 2.577 0.043 13.609 1.00 1.05 H new ATOM 0 HG21 THR A 11 -0.277 -0.598 11.889 1.00 0.85 H new ATOM 0 HG22 THR A 11 0.430 -1.531 10.548 1.00 0.85 H new ATOM 0 HG23 THR A 11 0.275 -2.268 12.161 1.00 0.85 H new ATOM 173 N MET A 12 3.538 -1.189 9.342 1.00 0.54 N ATOM 174 CA MET A 12 3.696 -1.362 7.889 1.00 0.55 C ATOM 175 C MET A 12 4.584 -2.564 7.537 1.00 0.56 C ATOM 176 O MET A 12 4.183 -3.375 6.704 1.00 0.62 O ATOM 177 CB MET A 12 4.263 -0.092 7.225 1.00 0.57 C ATOM 178 CG MET A 12 3.307 1.096 7.292 1.00 0.91 C ATOM 179 SD MET A 12 4.053 2.648 6.725 1.00 1.06 S ATOM 180 CE MET A 12 2.897 3.110 5.407 1.00 0.59 C ATOM 0 H MET A 12 3.837 -0.271 9.671 1.00 0.54 H new ATOM 0 HA MET A 12 2.696 -1.551 7.499 1.00 0.55 H new ATOM 0 HB2 MET A 12 5.201 0.177 7.710 1.00 0.57 H new ATOM 0 HB3 MET A 12 4.494 -0.307 6.182 1.00 0.57 H new ATOM 0 HG2 MET A 12 2.427 0.881 6.685 1.00 0.91 H new ATOM 0 HG3 MET A 12 2.963 1.220 8.319 1.00 0.91 H new ATOM 0 HE1 MET A 12 3.217 4.049 4.955 1.00 0.59 H new ATOM 0 HE2 MET A 12 2.880 2.328 4.647 1.00 0.59 H new ATOM 0 HE3 MET A 12 1.898 3.231 5.825 1.00 0.59 H new ATOM 190 N VAL A 13 5.766 -2.692 8.161 1.00 0.59 N ATOM 191 CA VAL A 13 6.670 -3.839 7.922 1.00 0.67 C ATOM 192 C VAL A 13 6.087 -5.157 8.454 1.00 0.67 C ATOM 193 O VAL A 13 6.278 -6.193 7.819 1.00 0.76 O ATOM 194 CB VAL A 13 8.123 -3.643 8.436 1.00 0.75 C ATOM 195 CG1 VAL A 13 8.829 -2.455 7.760 1.00 0.82 C ATOM 196 CG2 VAL A 13 8.220 -3.493 9.956 1.00 0.74 C ATOM 0 H VAL A 13 6.122 -2.016 8.837 1.00 0.59 H new ATOM 0 HA VAL A 13 6.741 -3.895 6.836 1.00 0.67 H new ATOM 0 HB VAL A 13 8.635 -4.565 8.160 1.00 0.75 H new ATOM 0 HG11 VAL A 13 9.841 -2.361 8.154 1.00 0.82 H new ATOM 0 HG12 VAL A 13 8.873 -2.622 6.684 1.00 0.82 H new ATOM 0 HG13 VAL A 13 8.274 -1.539 7.963 1.00 0.82 H new ATOM 0 HG21 VAL A 13 9.263 -3.360 10.243 1.00 0.74 H new ATOM 0 HG22 VAL A 13 7.643 -2.625 10.273 1.00 0.74 H new ATOM 0 HG23 VAL A 13 7.823 -4.388 10.436 1.00 0.74 H new ATOM 206 N THR A 14 5.311 -5.121 9.548 1.00 0.64 N ATOM 207 CA THR A 14 4.569 -6.284 10.061 1.00 0.71 C ATOM 208 C THR A 14 3.553 -6.754 9.032 1.00 0.72 C ATOM 209 O THR A 14 3.573 -7.930 8.668 1.00 0.84 O ATOM 210 CB THR A 14 3.898 -5.977 11.404 1.00 0.73 C ATOM 211 OG1 THR A 14 4.896 -5.608 12.317 1.00 0.87 O ATOM 212 CG2 THR A 14 3.190 -7.193 11.995 1.00 1.11 C ATOM 0 H THR A 14 5.179 -4.278 10.106 1.00 0.64 H new ATOM 0 HA THR A 14 5.281 -7.090 10.237 1.00 0.71 H new ATOM 0 HB THR A 14 3.163 -5.191 11.230 1.00 0.73 H new ATOM 0 HG1 THR A 14 5.071 -4.647 12.240 1.00 0.87 H new ATOM 0 HG21 THR A 14 2.732 -6.921 12.946 1.00 1.11 H new ATOM 0 HG22 THR A 14 2.419 -7.536 11.305 1.00 1.11 H new ATOM 0 HG23 THR A 14 3.913 -7.992 12.157 1.00 1.11 H new ATOM 220 N THR A 15 2.722 -5.843 8.506 1.00 0.66 N ATOM 221 CA THR A 15 1.770 -6.139 7.427 1.00 0.64 C ATOM 222 C THR A 15 2.454 -6.601 6.154 1.00 0.61 C ATOM 223 O THR A 15 1.996 -7.573 5.565 1.00 0.73 O ATOM 224 CB THR A 15 0.831 -4.963 7.150 1.00 0.61 C ATOM 225 OG1 THR A 15 1.509 -3.736 7.103 1.00 1.11 O ATOM 226 CG2 THR A 15 -0.205 -4.871 8.261 1.00 1.04 C ATOM 0 H THR A 15 2.692 -4.873 8.820 1.00 0.66 H new ATOM 0 HA THR A 15 1.163 -6.971 7.784 1.00 0.64 H new ATOM 0 HB THR A 15 0.371 -5.147 6.179 1.00 0.61 H new ATOM 0 HG1 THR A 15 2.461 -3.895 6.933 1.00 1.11 H new ATOM 0 HG21 THR A 15 -0.875 -4.034 8.065 1.00 1.04 H new ATOM 0 HG22 THR A 15 -0.781 -5.796 8.299 1.00 1.04 H new ATOM 0 HG23 THR A 15 0.298 -4.718 9.216 1.00 1.04 H new ATOM 234 N PHE A 16 3.575 -5.994 5.758 1.00 0.56 N ATOM 235 CA PHE A 16 4.323 -6.389 4.562 1.00 0.57 C ATOM 236 C PHE A 16 4.895 -7.811 4.692 1.00 0.66 C ATOM 237 O PHE A 16 4.949 -8.546 3.705 1.00 0.58 O ATOM 238 CB PHE A 16 5.427 -5.353 4.315 1.00 0.60 C ATOM 239 CG PHE A 16 6.142 -5.459 2.980 1.00 0.62 C ATOM 240 CD1 PHE A 16 5.661 -4.750 1.861 1.00 1.83 C ATOM 241 CD2 PHE A 16 7.322 -6.218 2.861 1.00 1.63 C ATOM 242 CE1 PHE A 16 6.374 -4.768 0.647 1.00 1.94 C ATOM 243 CE2 PHE A 16 8.005 -6.270 1.637 1.00 1.57 C ATOM 244 CZ PHE A 16 7.549 -5.527 0.532 1.00 0.81 C ATOM 0 H PHE A 16 3.992 -5.210 6.261 1.00 0.56 H new ATOM 0 HA PHE A 16 3.650 -6.413 3.705 1.00 0.57 H new ATOM 0 HB2 PHE A 16 4.990 -4.358 4.394 1.00 0.60 H new ATOM 0 HB3 PHE A 16 6.167 -5.441 5.111 1.00 0.60 H new ATOM 0 HD1 PHE A 16 4.741 -4.190 1.935 1.00 1.83 H new ATOM 0 HD2 PHE A 16 7.702 -6.761 3.714 1.00 1.63 H new ATOM 0 HE1 PHE A 16 6.016 -4.197 -0.197 1.00 1.94 H new ATOM 0 HE2 PHE A 16 8.888 -6.885 1.542 1.00 1.57 H new ATOM 0 HZ PHE A 16 8.099 -5.541 -0.397 1.00 0.81 H new ATOM 254 N HIS A 17 5.301 -8.237 5.891 1.00 0.89 N ATOM 255 CA HIS A 17 5.912 -9.553 6.100 1.00 0.97 C ATOM 256 C HIS A 17 4.913 -10.712 5.894 1.00 0.99 C ATOM 257 O HIS A 17 5.316 -11.814 5.517 1.00 1.07 O ATOM 258 CB HIS A 17 6.595 -9.605 7.475 1.00 1.12 C ATOM 259 CG HIS A 17 7.642 -10.688 7.576 1.00 1.27 C ATOM 260 ND1 HIS A 17 7.511 -12.007 7.194 1.00 2.27 N ATOM 261 CD2 HIS A 17 8.938 -10.528 7.988 1.00 1.48 C ATOM 262 CE1 HIS A 17 8.688 -12.620 7.383 1.00 2.36 C ATOM 263 NE2 HIS A 17 9.592 -11.757 7.871 1.00 1.72 N ATOM 0 H HIS A 17 5.216 -7.681 6.742 1.00 0.89 H new ATOM 0 HA HIS A 17 6.676 -9.693 5.336 1.00 0.97 H new ATOM 0 HB2 HIS A 17 7.058 -8.640 7.681 1.00 1.12 H new ATOM 0 HB3 HIS A 17 5.839 -9.766 8.244 1.00 1.12 H new ATOM 0 HD1 HIS A 17 6.663 -12.442 6.830 1.00 2.27 H new ATOM 0 HD2 HIS A 17 9.379 -9.608 8.343 1.00 1.48 H new ATOM 0 HE1 HIS A 17 8.881 -13.661 7.172 1.00 2.36 H new ATOM 272 N LYS A 18 3.603 -10.473 6.056 1.00 1.00 N ATOM 273 CA LYS A 18 2.577 -11.478 5.752 1.00 1.09 C ATOM 274 C LYS A 18 2.611 -11.942 4.280 1.00 0.91 C ATOM 275 O LYS A 18 2.285 -13.098 4.001 1.00 1.02 O ATOM 276 CB LYS A 18 1.191 -10.880 6.040 1.00 1.32 C ATOM 277 CG LYS A 18 0.866 -10.578 7.510 1.00 1.43 C ATOM 278 CD LYS A 18 -0.472 -9.829 7.540 1.00 2.45 C ATOM 279 CE LYS A 18 -1.062 -9.711 8.948 1.00 3.41 C ATOM 280 NZ LYS A 18 -2.365 -9.009 8.886 1.00 3.88 N ATOM 0 H LYS A 18 3.229 -9.588 6.398 1.00 1.00 H new ATOM 0 HA LYS A 18 2.780 -12.346 6.379 1.00 1.09 H new ATOM 0 HB2 LYS A 18 1.094 -9.955 5.472 1.00 1.32 H new ATOM 0 HB3 LYS A 18 0.437 -11.568 5.658 1.00 1.32 H new ATOM 0 HG2 LYS A 18 0.802 -11.501 8.086 1.00 1.43 H new ATOM 0 HG3 LYS A 18 1.654 -9.975 7.961 1.00 1.43 H new ATOM 0 HD2 LYS A 18 -0.332 -8.830 7.126 1.00 2.45 H new ATOM 0 HD3 LYS A 18 -1.185 -10.344 6.896 1.00 2.45 H new ATOM 0 HE2 LYS A 18 -1.192 -10.702 9.382 1.00 3.41 H new ATOM 0 HE3 LYS A 18 -0.375 -9.167 9.596 1.00 3.41 H new ATOM 0 HZ1 LYS A 18 -2.954 -9.298 9.693 1.00 3.88 H new ATOM 0 HZ2 LYS A 18 -2.208 -7.982 8.923 1.00 3.88 H new ATOM 0 HZ3 LYS A 18 -2.849 -9.254 7.999 1.00 3.88 H new ATOM 294 N TYR A 19 2.969 -11.036 3.359 1.00 0.80 N ATOM 295 CA TYR A 19 2.817 -11.191 1.898 1.00 0.90 C ATOM 296 C TYR A 19 4.148 -11.201 1.119 1.00 1.07 C ATOM 297 O TYR A 19 4.207 -11.702 0.005 1.00 1.55 O ATOM 298 CB TYR A 19 1.938 -10.039 1.391 1.00 0.87 C ATOM 299 CG TYR A 19 0.573 -9.945 2.048 1.00 0.82 C ATOM 300 CD1 TYR A 19 -0.524 -10.689 1.571 1.00 1.73 C ATOM 301 CD2 TYR A 19 0.395 -9.076 3.134 1.00 1.99 C ATOM 302 CE1 TYR A 19 -1.784 -10.570 2.191 1.00 1.65 C ATOM 303 CE2 TYR A 19 -0.856 -8.947 3.757 1.00 2.15 C ATOM 304 CZ TYR A 19 -1.949 -9.715 3.309 1.00 1.00 C ATOM 305 OH TYR A 19 -3.142 -9.646 3.964 1.00 1.18 O ATOM 0 H TYR A 19 3.388 -10.142 3.616 1.00 0.80 H new ATOM 0 HA TYR A 19 2.365 -12.167 1.721 1.00 0.90 H new ATOM 0 HB2 TYR A 19 2.468 -9.099 1.549 1.00 0.87 H new ATOM 0 HB3 TYR A 19 1.801 -10.151 0.315 1.00 0.87 H new ATOM 0 HD1 TYR A 19 -0.399 -11.352 0.728 1.00 1.73 H new ATOM 0 HD2 TYR A 19 1.232 -8.498 3.496 1.00 1.99 H new ATOM 0 HE1 TYR A 19 -2.626 -11.132 1.813 1.00 1.65 H new ATOM 0 HE2 TYR A 19 -0.981 -8.259 4.580 1.00 2.15 H new ATOM 0 HH TYR A 19 -3.031 -9.136 4.794 1.00 1.18 H new ATOM 315 N SER A 20 5.232 -10.694 1.709 1.00 0.95 N ATOM 316 CA SER A 20 6.606 -10.894 1.214 1.00 1.01 C ATOM 317 C SER A 20 7.185 -12.234 1.680 1.00 1.20 C ATOM 318 O SER A 20 7.366 -13.134 0.861 1.00 1.88 O ATOM 319 CB SER A 20 7.502 -9.720 1.643 1.00 0.94 C ATOM 320 OG SER A 20 7.417 -9.438 3.036 1.00 1.65 O ATOM 0 H SER A 20 5.186 -10.125 2.554 1.00 0.95 H new ATOM 0 HA SER A 20 6.572 -10.923 0.125 1.00 1.01 H new ATOM 0 HB2 SER A 20 8.537 -9.946 1.386 1.00 0.94 H new ATOM 0 HB3 SER A 20 7.221 -8.830 1.080 1.00 0.94 H new ATOM 0 HG SER A 20 6.570 -8.984 3.227 1.00 1.65 H new ATOM 326 N GLY A 21 7.393 -12.403 2.994 1.00 0.99 N ATOM 327 CA GLY A 21 8.131 -13.516 3.615 1.00 1.17 C ATOM 328 C GLY A 21 7.418 -14.873 3.626 1.00 1.20 C ATOM 329 O GLY A 21 7.678 -15.688 4.507 1.00 1.60 O ATOM 0 H GLY A 21 7.037 -11.741 3.683 1.00 0.99 H new ATOM 0 HA2 GLY A 21 9.081 -13.632 3.093 1.00 1.17 H new ATOM 0 HA3 GLY A 21 8.364 -13.242 4.644 1.00 1.17 H new ATOM 332 N ARG A 22 6.518 -15.087 2.668 1.00 1.26 N ATOM 333 CA ARG A 22 6.063 -16.385 2.151 1.00 1.43 C ATOM 334 C ARG A 22 6.941 -16.865 0.978 1.00 1.77 C ATOM 335 O ARG A 22 7.167 -18.064 0.843 1.00 2.22 O ATOM 336 CB ARG A 22 4.593 -16.277 1.721 1.00 1.57 C ATOM 337 CG ARG A 22 4.262 -15.050 0.844 1.00 2.02 C ATOM 338 CD ARG A 22 2.777 -14.997 0.491 1.00 1.90 C ATOM 339 NE ARG A 22 1.980 -14.795 1.717 1.00 2.37 N ATOM 340 CZ ARG A 22 0.704 -15.091 1.900 1.00 3.42 C ATOM 341 NH1 ARG A 22 -0.088 -15.405 0.905 1.00 3.83 N ATOM 342 NH2 ARG A 22 0.212 -15.033 3.120 1.00 4.84 N ATOM 0 H ARG A 22 6.054 -14.309 2.198 1.00 1.26 H new ATOM 0 HA ARG A 22 6.153 -17.126 2.946 1.00 1.43 H new ATOM 0 HB2 ARG A 22 4.322 -17.180 1.174 1.00 1.57 H new ATOM 0 HB3 ARG A 22 3.969 -16.246 2.614 1.00 1.57 H new ATOM 0 HG2 ARG A 22 4.544 -14.138 1.371 1.00 2.02 H new ATOM 0 HG3 ARG A 22 4.853 -15.086 -0.071 1.00 2.02 H new ATOM 0 HD2 ARG A 22 2.590 -14.187 -0.213 1.00 1.90 H new ATOM 0 HD3 ARG A 22 2.477 -15.922 -0.001 1.00 1.90 H new ATOM 0 HE ARG A 22 2.468 -14.381 2.511 1.00 2.37 H new ATOM 0 HH11 ARG A 22 0.275 -15.427 -0.048 1.00 3.83 H new ATOM 0 HH12 ARG A 22 -1.067 -15.628 1.083 1.00 3.83 H new ATOM 0 HH21 ARG A 22 0.812 -14.764 3.900 1.00 4.84 H new ATOM 0 HH22 ARG A 22 -0.769 -15.257 3.285 1.00 4.84 H new ATOM 356 N GLU A 23 7.487 -15.913 0.218 1.00 1.88 N ATOM 357 CA GLU A 23 8.514 -16.085 -0.806 1.00 2.36 C ATOM 358 C GLU A 23 9.900 -15.786 -0.215 1.00 2.09 C ATOM 359 O GLU A 23 10.025 -15.353 0.935 1.00 2.93 O ATOM 360 CB GLU A 23 8.256 -15.134 -1.995 1.00 3.12 C ATOM 361 CG GLU A 23 6.817 -15.115 -2.530 1.00 4.24 C ATOM 362 CD GLU A 23 6.230 -16.517 -2.638 1.00 4.12 C ATOM 363 OE1 GLU A 23 6.886 -17.360 -3.296 1.00 4.56 O ATOM 364 OE2 GLU A 23 5.159 -16.723 -2.024 1.00 4.63 O ATOM 0 H GLU A 23 7.203 -14.938 0.310 1.00 1.88 H new ATOM 0 HA GLU A 23 8.478 -17.116 -1.157 1.00 2.36 H new ATOM 0 HB2 GLU A 23 8.525 -14.122 -1.693 1.00 3.12 H new ATOM 0 HB3 GLU A 23 8.924 -15.411 -2.810 1.00 3.12 H new ATOM 0 HG2 GLU A 23 6.193 -14.510 -1.871 1.00 4.24 H new ATOM 0 HG3 GLU A 23 6.801 -14.639 -3.510 1.00 4.24 H new ATOM 371 N GLY A 24 10.956 -15.945 -1.018 1.00 2.12 N ATOM 372 CA GLY A 24 12.356 -15.768 -0.605 1.00 2.30 C ATOM 373 C GLY A 24 12.803 -14.314 -0.421 1.00 1.87 C ATOM 374 O GLY A 24 13.918 -13.979 -0.806 1.00 2.87 O ATOM 0 H GLY A 24 10.861 -16.207 -1.999 1.00 2.12 H new ATOM 0 HA2 GLY A 24 12.511 -16.301 0.333 1.00 2.30 H new ATOM 0 HA3 GLY A 24 13.000 -16.238 -1.349 1.00 2.30 H new ATOM 377 N SER A 25 11.981 -13.447 0.168 1.00 1.39 N ATOM 378 CA SER A 25 12.333 -12.044 0.430 1.00 1.28 C ATOM 379 C SER A 25 11.494 -11.420 1.552 1.00 1.31 C ATOM 380 O SER A 25 10.304 -11.692 1.680 1.00 1.77 O ATOM 381 CB SER A 25 12.184 -11.208 -0.844 1.00 1.69 C ATOM 382 OG SER A 25 12.670 -9.888 -0.656 1.00 2.80 O ATOM 0 H SER A 25 11.043 -13.696 0.481 1.00 1.39 H new ATOM 0 HA SER A 25 13.373 -12.042 0.758 1.00 1.28 H new ATOM 0 HB2 SER A 25 12.727 -11.685 -1.660 1.00 1.69 H new ATOM 0 HB3 SER A 25 11.135 -11.173 -1.138 1.00 1.69 H new ATOM 0 HG SER A 25 12.637 -9.403 -1.507 1.00 2.80 H new ATOM 388 N LYS A 26 12.095 -10.542 2.363 1.00 1.39 N ATOM 389 CA LYS A 26 11.401 -9.807 3.436 1.00 1.45 C ATOM 390 C LYS A 26 11.287 -8.287 3.149 1.00 1.40 C ATOM 391 O LYS A 26 10.655 -7.559 3.918 1.00 1.57 O ATOM 392 CB LYS A 26 12.111 -10.117 4.764 1.00 1.63 C ATOM 393 CG LYS A 26 12.110 -11.618 5.124 1.00 1.50 C ATOM 394 CD LYS A 26 12.729 -11.895 6.504 1.00 1.98 C ATOM 395 CE LYS A 26 14.240 -11.636 6.596 1.00 2.15 C ATOM 396 NZ LYS A 26 15.079 -12.729 6.046 1.00 2.69 N ATOM 0 H LYS A 26 13.087 -10.317 2.295 1.00 1.39 H new ATOM 0 HA LYS A 26 10.366 -10.144 3.495 1.00 1.45 H new ATOM 0 HB2 LYS A 26 13.141 -9.765 4.707 1.00 1.63 H new ATOM 0 HB3 LYS A 26 11.627 -9.558 5.565 1.00 1.63 H new ATOM 0 HG2 LYS A 26 11.086 -11.991 5.108 1.00 1.50 H new ATOM 0 HG3 LYS A 26 12.663 -12.171 4.364 1.00 1.50 H new ATOM 0 HD2 LYS A 26 12.223 -11.276 7.245 1.00 1.98 H new ATOM 0 HD3 LYS A 26 12.536 -12.934 6.771 1.00 1.98 H new ATOM 0 HE2 LYS A 26 14.472 -10.713 6.065 1.00 2.15 H new ATOM 0 HE3 LYS A 26 14.507 -11.479 7.641 1.00 2.15 H new ATOM 0 HZ1 LYS A 26 16.084 -12.479 6.145 1.00 2.69 H new ATOM 0 HZ2 LYS A 26 14.888 -13.609 6.567 1.00 2.69 H new ATOM 0 HZ3 LYS A 26 14.854 -12.867 5.040 1.00 2.69 H new ATOM 410 N LEU A 27 11.862 -7.813 2.029 1.00 1.31 N ATOM 411 CA LEU A 27 11.724 -6.436 1.500 1.00 1.40 C ATOM 412 C LEU A 27 11.066 -6.343 0.112 1.00 1.16 C ATOM 413 O LEU A 27 10.671 -5.238 -0.263 1.00 1.30 O ATOM 414 CB LEU A 27 13.104 -5.750 1.458 1.00 1.73 C ATOM 415 CG LEU A 27 13.693 -5.337 2.822 1.00 2.77 C ATOM 416 CD1 LEU A 27 15.020 -4.606 2.583 1.00 2.90 C ATOM 417 CD2 LEU A 27 12.759 -4.414 3.620 1.00 4.29 C ATOM 0 H LEU A 27 12.458 -8.397 1.443 1.00 1.31 H new ATOM 0 HA LEU A 27 11.050 -5.926 2.188 1.00 1.40 H new ATOM 0 HB2 LEU A 27 13.808 -6.423 0.969 1.00 1.73 H new ATOM 0 HB3 LEU A 27 13.027 -4.860 0.833 1.00 1.73 H new ATOM 0 HG LEU A 27 13.833 -6.246 3.407 1.00 2.77 H new ATOM 0 HD11 LEU A 27 15.449 -4.308 3.540 1.00 2.90 H new ATOM 0 HD12 LEU A 27 15.713 -5.270 2.066 1.00 2.90 H new ATOM 0 HD13 LEU A 27 14.843 -3.720 1.973 1.00 2.90 H new ATOM 0 HD21 LEU A 27 13.227 -4.157 4.570 1.00 4.29 H new ATOM 0 HD22 LEU A 27 12.572 -3.504 3.050 1.00 4.29 H new ATOM 0 HD23 LEU A 27 11.815 -4.925 3.807 1.00 4.29 H new ATOM 429 N THR A 28 10.900 -7.462 -0.610 1.00 0.95 N ATOM 430 CA THR A 28 10.198 -7.505 -1.904 1.00 0.84 C ATOM 431 C THR A 28 9.090 -8.556 -1.948 1.00 0.75 C ATOM 432 O THR A 28 9.037 -9.424 -1.081 1.00 0.82 O ATOM 433 CB THR A 28 11.163 -7.671 -3.090 1.00 0.88 C ATOM 434 OG1 THR A 28 11.899 -8.864 -2.949 1.00 0.92 O ATOM 435 CG2 THR A 28 12.165 -6.526 -3.227 1.00 1.03 C ATOM 0 H THR A 28 11.252 -8.371 -0.310 1.00 0.95 H new ATOM 0 HA THR A 28 9.717 -6.532 -2.004 1.00 0.84 H new ATOM 0 HB THR A 28 10.535 -7.683 -3.981 1.00 0.88 H new ATOM 0 HG1 THR A 28 11.975 -9.307 -3.820 1.00 0.92 H new ATOM 0 HG21 THR A 28 12.813 -6.710 -4.084 1.00 1.03 H new ATOM 0 HG22 THR A 28 11.628 -5.588 -3.373 1.00 1.03 H new ATOM 0 HG23 THR A 28 12.769 -6.461 -2.322 1.00 1.03 H new ATOM 443 N LEU A 29 8.198 -8.474 -2.948 1.00 0.72 N ATOM 444 CA LEU A 29 7.090 -9.415 -3.247 1.00 0.69 C ATOM 445 C LEU A 29 6.537 -9.249 -4.678 1.00 0.77 C ATOM 446 O LEU A 29 6.803 -8.232 -5.311 1.00 0.87 O ATOM 447 CB LEU A 29 5.959 -9.299 -2.192 1.00 0.66 C ATOM 448 CG LEU A 29 4.932 -8.157 -2.374 1.00 0.71 C ATOM 449 CD1 LEU A 29 3.888 -8.240 -1.251 1.00 0.76 C ATOM 450 CD2 LEU A 29 5.576 -6.765 -2.359 1.00 0.85 C ATOM 0 H LEU A 29 8.227 -7.703 -3.615 1.00 0.72 H new ATOM 0 HA LEU A 29 7.510 -10.419 -3.191 1.00 0.69 H new ATOM 0 HB2 LEU A 29 5.414 -10.243 -2.177 1.00 0.66 H new ATOM 0 HB3 LEU A 29 6.423 -9.183 -1.212 1.00 0.66 H new ATOM 0 HG LEU A 29 4.471 -8.288 -3.353 1.00 0.71 H new ATOM 0 HD11 LEU A 29 3.160 -7.438 -1.371 1.00 0.76 H new ATOM 0 HD12 LEU A 29 3.379 -9.203 -1.298 1.00 0.76 H new ATOM 0 HD13 LEU A 29 4.383 -8.138 -0.285 1.00 0.76 H new ATOM 0 HD21 LEU A 29 4.805 -6.006 -2.491 1.00 0.85 H new ATOM 0 HD22 LEU A 29 6.081 -6.608 -1.406 1.00 0.85 H new ATOM 0 HD23 LEU A 29 6.301 -6.691 -3.170 1.00 0.85 H new ATOM 462 N SER A 30 5.732 -10.197 -5.177 1.00 0.81 N ATOM 463 CA SER A 30 5.072 -10.110 -6.496 1.00 0.98 C ATOM 464 C SER A 30 4.030 -8.982 -6.623 1.00 0.89 C ATOM 465 O SER A 30 3.206 -8.742 -5.731 1.00 0.90 O ATOM 466 CB SER A 30 4.337 -11.413 -6.836 1.00 1.26 C ATOM 467 OG SER A 30 5.231 -12.436 -7.197 1.00 1.87 O ATOM 0 H SER A 30 5.515 -11.057 -4.674 1.00 0.81 H new ATOM 0 HA SER A 30 5.896 -9.905 -7.180 1.00 0.98 H new ATOM 0 HB2 SER A 30 3.746 -11.732 -5.977 1.00 1.26 H new ATOM 0 HB3 SER A 30 3.639 -11.234 -7.654 1.00 1.26 H new ATOM 0 HG SER A 30 4.831 -12.986 -7.903 1.00 1.87 H new ATOM 473 N ARG A 31 3.963 -8.373 -7.812 1.00 0.94 N ATOM 474 CA ARG A 31 3.021 -7.293 -8.151 1.00 0.93 C ATOM 475 C ARG A 31 1.540 -7.656 -7.944 1.00 0.90 C ATOM 476 O ARG A 31 0.732 -6.788 -7.614 1.00 0.94 O ATOM 477 CB ARG A 31 3.242 -6.786 -9.589 1.00 1.14 C ATOM 478 CG ARG A 31 4.705 -6.766 -10.083 1.00 1.67 C ATOM 479 CD ARG A 31 5.068 -5.511 -10.894 1.00 1.81 C ATOM 480 NE ARG A 31 6.416 -5.002 -10.549 1.00 2.91 N ATOM 481 CZ ARG A 31 6.750 -3.766 -10.175 1.00 2.93 C ATOM 482 NH1 ARG A 31 5.894 -2.766 -10.121 1.00 2.30 N ATOM 483 NH2 ARG A 31 7.967 -3.545 -9.737 1.00 4.57 N ATOM 0 H ARG A 31 4.577 -8.622 -8.587 1.00 0.94 H new ATOM 0 HA ARG A 31 3.244 -6.495 -7.443 1.00 0.93 H new ATOM 0 HB2 ARG A 31 2.659 -7.410 -10.267 1.00 1.14 H new ATOM 0 HB3 ARG A 31 2.841 -5.775 -9.662 1.00 1.14 H new ATOM 0 HG2 ARG A 31 5.370 -6.836 -9.223 1.00 1.67 H new ATOM 0 HG3 ARG A 31 4.884 -7.649 -10.697 1.00 1.67 H new ATOM 0 HD2 ARG A 31 5.029 -5.742 -11.958 1.00 1.81 H new ATOM 0 HD3 ARG A 31 4.328 -4.733 -10.709 1.00 1.81 H new ATOM 0 HE ARG A 31 7.179 -5.677 -10.604 1.00 2.91 H new ATOM 0 HH11 ARG A 31 4.917 -2.917 -10.373 1.00 2.30 H new ATOM 0 HH12 ARG A 31 6.208 -1.841 -9.827 1.00 2.30 H new ATOM 0 HH21 ARG A 31 8.638 -4.311 -9.687 1.00 4.57 H new ATOM 0 HH22 ARG A 31 8.242 -2.607 -9.446 1.00 4.57 H new ATOM 497 N LYS A 32 1.162 -8.934 -8.085 1.00 0.94 N ATOM 498 CA LYS A 32 -0.171 -9.445 -7.729 1.00 0.97 C ATOM 499 C LYS A 32 -0.444 -9.405 -6.222 1.00 0.91 C ATOM 500 O LYS A 32 -1.463 -8.856 -5.813 1.00 0.97 O ATOM 501 CB LYS A 32 -0.330 -10.887 -8.249 1.00 1.19 C ATOM 502 CG LYS A 32 -0.554 -10.971 -9.763 1.00 1.55 C ATOM 503 CD LYS A 32 -1.913 -10.458 -10.275 1.00 2.70 C ATOM 504 CE LYS A 32 -3.039 -11.504 -10.290 1.00 3.61 C ATOM 505 NZ LYS A 32 -3.385 -12.041 -8.944 1.00 5.01 N ATOM 0 H LYS A 32 1.783 -9.654 -8.455 1.00 0.94 H new ATOM 0 HA LYS A 32 -0.901 -8.788 -8.202 1.00 0.97 H new ATOM 0 HB2 LYS A 32 0.561 -11.458 -7.990 1.00 1.19 H new ATOM 0 HB3 LYS A 32 -1.170 -11.358 -7.739 1.00 1.19 H new ATOM 0 HG2 LYS A 32 0.235 -10.406 -10.259 1.00 1.55 H new ATOM 0 HG3 LYS A 32 -0.442 -12.011 -10.069 1.00 1.55 H new ATOM 0 HD2 LYS A 32 -2.225 -9.619 -9.653 1.00 2.70 H new ATOM 0 HD3 LYS A 32 -1.781 -10.073 -11.286 1.00 2.70 H new ATOM 0 HE2 LYS A 32 -3.930 -11.058 -10.732 1.00 3.61 H new ATOM 0 HE3 LYS A 32 -2.744 -12.331 -10.935 1.00 3.61 H new ATOM 0 HZ1 LYS A 32 -4.282 -12.564 -8.999 1.00 5.01 H new ATOM 0 HZ2 LYS A 32 -2.631 -12.680 -8.621 1.00 5.01 H new ATOM 0 HZ3 LYS A 32 -3.484 -11.254 -8.271 1.00 5.01 H new ATOM 519 N GLU A 33 0.443 -9.990 -5.419 1.00 0.94 N ATOM 520 CA GLU A 33 0.240 -10.162 -3.975 1.00 0.96 C ATOM 521 C GLU A 33 0.179 -8.799 -3.258 1.00 0.84 C ATOM 522 O GLU A 33 -0.654 -8.599 -2.373 1.00 0.82 O ATOM 523 CB GLU A 33 1.347 -11.079 -3.417 1.00 1.09 C ATOM 524 CG GLU A 33 1.048 -11.678 -2.030 1.00 1.64 C ATOM 525 CD GLU A 33 0.109 -12.894 -2.041 1.00 2.16 C ATOM 526 OE1 GLU A 33 -0.878 -12.858 -2.805 1.00 2.90 O ATOM 527 OE2 GLU A 33 0.348 -13.833 -1.246 1.00 2.84 O ATOM 0 H GLU A 33 1.332 -10.363 -5.752 1.00 0.94 H new ATOM 0 HA GLU A 33 -0.722 -10.641 -3.791 1.00 0.96 H new ATOM 0 HB2 GLU A 33 1.514 -11.894 -4.121 1.00 1.09 H new ATOM 0 HB3 GLU A 33 2.276 -10.511 -3.360 1.00 1.09 H new ATOM 0 HG2 GLU A 33 1.990 -11.968 -1.565 1.00 1.64 H new ATOM 0 HG3 GLU A 33 0.608 -10.903 -1.402 1.00 1.64 H new ATOM 534 N LEU A 34 0.960 -7.806 -3.711 1.00 0.81 N ATOM 535 CA LEU A 34 0.865 -6.424 -3.218 1.00 0.73 C ATOM 536 C LEU A 34 -0.540 -5.825 -3.376 1.00 0.68 C ATOM 537 O LEU A 34 -1.023 -5.122 -2.486 1.00 0.62 O ATOM 538 CB LEU A 34 1.889 -5.549 -3.959 1.00 0.79 C ATOM 539 CG LEU A 34 1.875 -4.079 -3.474 1.00 0.84 C ATOM 540 CD1 LEU A 34 2.230 -3.955 -1.990 1.00 1.08 C ATOM 541 CD2 LEU A 34 2.868 -3.262 -4.287 1.00 1.01 C ATOM 0 H LEU A 34 1.673 -7.938 -4.428 1.00 0.81 H new ATOM 0 HA LEU A 34 1.079 -6.447 -2.149 1.00 0.73 H new ATOM 0 HB2 LEU A 34 2.887 -5.965 -3.818 1.00 0.79 H new ATOM 0 HB3 LEU A 34 1.680 -5.577 -5.028 1.00 0.79 H new ATOM 0 HG LEU A 34 0.861 -3.703 -3.612 1.00 0.84 H new ATOM 0 HD11 LEU A 34 2.207 -2.905 -1.697 1.00 1.08 H new ATOM 0 HD12 LEU A 34 1.508 -4.514 -1.395 1.00 1.08 H new ATOM 0 HD13 LEU A 34 3.229 -4.357 -1.820 1.00 1.08 H new ATOM 0 HD21 LEU A 34 2.856 -2.228 -3.943 1.00 1.01 H new ATOM 0 HD22 LEU A 34 3.869 -3.675 -4.160 1.00 1.01 H new ATOM 0 HD23 LEU A 34 2.592 -3.297 -5.341 1.00 1.01 H new ATOM 553 N LYS A 35 -1.220 -6.108 -4.493 1.00 0.81 N ATOM 554 CA LYS A 35 -2.591 -5.634 -4.727 1.00 0.86 C ATOM 555 C LYS A 35 -3.528 -6.115 -3.607 1.00 0.92 C ATOM 556 O LYS A 35 -4.431 -5.389 -3.186 1.00 1.04 O ATOM 557 CB LYS A 35 -3.045 -6.043 -6.156 1.00 1.10 C ATOM 558 CG LYS A 35 -4.284 -6.967 -6.185 1.00 1.72 C ATOM 559 CD LYS A 35 -4.700 -7.456 -7.574 1.00 1.46 C ATOM 560 CE LYS A 35 -5.143 -6.293 -8.460 1.00 2.33 C ATOM 561 NZ LYS A 35 -5.732 -6.757 -9.737 1.00 3.27 N ATOM 0 H LYS A 35 -0.840 -6.668 -5.256 1.00 0.81 H new ATOM 0 HA LYS A 35 -2.629 -4.545 -4.689 1.00 0.86 H new ATOM 0 HB2 LYS A 35 -3.264 -5.141 -6.728 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -2.218 -6.546 -6.658 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -4.085 -7.835 -5.556 1.00 1.72 H new ATOM 0 HG3 LYS A 35 -5.124 -6.436 -5.738 1.00 1.72 H new ATOM 0 HD2 LYS A 35 -3.866 -7.977 -8.044 1.00 1.46 H new ATOM 0 HD3 LYS A 35 -5.513 -8.176 -7.480 1.00 1.46 H new ATOM 0 HE2 LYS A 35 -5.873 -5.687 -7.924 1.00 2.33 H new ATOM 0 HE3 LYS A 35 -4.287 -5.651 -8.668 1.00 2.33 H new ATOM 0 HZ1 LYS A 35 -5.645 -6.007 -10.452 1.00 3.27 H new ATOM 0 HZ2 LYS A 35 -5.229 -7.607 -10.063 1.00 3.27 H new ATOM 0 HZ3 LYS A 35 -6.737 -6.983 -9.594 1.00 3.27 H new ATOM 575 N GLU A 36 -3.264 -7.325 -3.118 1.00 0.96 N ATOM 576 CA GLU A 36 -4.055 -8.038 -2.132 1.00 1.05 C ATOM 577 C GLU A 36 -3.739 -7.536 -0.715 1.00 0.94 C ATOM 578 O GLU A 36 -4.668 -7.171 -0.001 1.00 1.14 O ATOM 579 CB GLU A 36 -3.789 -9.542 -2.327 1.00 1.14 C ATOM 580 CG GLU A 36 -5.072 -10.369 -2.230 1.00 1.42 C ATOM 581 CD GLU A 36 -6.124 -9.964 -3.275 1.00 2.05 C ATOM 582 OE1 GLU A 36 -5.771 -9.737 -4.451 1.00 2.72 O ATOM 583 OE2 GLU A 36 -7.302 -9.866 -2.867 1.00 3.17 O ATOM 0 H GLU A 36 -2.448 -7.858 -3.419 1.00 0.96 H new ATOM 0 HA GLU A 36 -5.121 -7.855 -2.266 1.00 1.05 H new ATOM 0 HB2 GLU A 36 -3.326 -9.705 -3.300 1.00 1.14 H new ATOM 0 HB3 GLU A 36 -3.079 -9.885 -1.574 1.00 1.14 H new ATOM 0 HG2 GLU A 36 -4.829 -11.424 -2.356 1.00 1.42 H new ATOM 0 HG3 GLU A 36 -5.496 -10.257 -1.232 1.00 1.42 H new ATOM 590 N LEU A 37 -2.452 -7.400 -0.359 1.00 0.74 N ATOM 591 CA LEU A 37 -1.974 -6.727 0.859 1.00 0.76 C ATOM 592 C LEU A 37 -2.676 -5.376 1.046 1.00 0.87 C ATOM 593 O LEU A 37 -3.294 -5.139 2.088 1.00 1.04 O ATOM 594 CB LEU A 37 -0.431 -6.602 0.755 1.00 0.67 C ATOM 595 CG LEU A 37 0.301 -5.559 1.634 1.00 0.86 C ATOM 596 CD1 LEU A 37 -0.020 -5.553 3.132 1.00 1.12 C ATOM 597 CD2 LEU A 37 1.819 -5.720 1.474 1.00 1.44 C ATOM 0 H LEU A 37 -1.691 -7.767 -0.930 1.00 0.74 H new ATOM 0 HA LEU A 37 -2.218 -7.307 1.749 1.00 0.76 H new ATOM 0 HB2 LEU A 37 -0.006 -7.580 0.983 1.00 0.67 H new ATOM 0 HB3 LEU A 37 -0.188 -6.383 -0.285 1.00 0.67 H new ATOM 0 HG LEU A 37 -0.076 -4.608 1.259 1.00 0.86 H new ATOM 0 HD11 LEU A 37 0.562 -4.775 3.626 1.00 1.12 H new ATOM 0 HD12 LEU A 37 -1.083 -5.358 3.276 1.00 1.12 H new ATOM 0 HD13 LEU A 37 0.232 -6.522 3.562 1.00 1.12 H new ATOM 0 HD21 LEU A 37 2.330 -4.984 2.094 1.00 1.44 H new ATOM 0 HD22 LEU A 37 2.113 -6.723 1.784 1.00 1.44 H new ATOM 0 HD23 LEU A 37 2.093 -5.568 0.430 1.00 1.44 H new ATOM 609 N ILE A 38 -2.622 -4.504 0.032 1.00 0.85 N ATOM 610 CA ILE A 38 -3.195 -3.145 0.088 1.00 1.05 C ATOM 611 C ILE A 38 -4.719 -3.147 0.296 1.00 1.24 C ATOM 612 O ILE A 38 -5.230 -2.243 0.950 1.00 1.57 O ATOM 613 CB ILE A 38 -2.744 -2.349 -1.162 1.00 0.98 C ATOM 614 CG1 ILE A 38 -1.220 -2.097 -1.062 1.00 1.02 C ATOM 615 CG2 ILE A 38 -3.507 -1.017 -1.326 1.00 1.12 C ATOM 616 CD1 ILE A 38 -0.619 -1.452 -2.313 1.00 1.07 C ATOM 0 H ILE A 38 -2.177 -4.719 -0.860 1.00 0.85 H new ATOM 0 HA ILE A 38 -2.807 -2.637 0.971 1.00 1.05 H new ATOM 0 HB ILE A 38 -2.974 -2.941 -2.048 1.00 0.98 H new ATOM 0 HG12 ILE A 38 -1.022 -1.456 -0.203 1.00 1.02 H new ATOM 0 HG13 ILE A 38 -0.716 -3.045 -0.875 1.00 1.02 H new ATOM 0 HG21 ILE A 38 -3.151 -0.501 -2.218 1.00 1.12 H new ATOM 0 HG22 ILE A 38 -4.574 -1.219 -1.425 1.00 1.12 H new ATOM 0 HG23 ILE A 38 -3.336 -0.390 -0.451 1.00 1.12 H new ATOM 0 HD11 ILE A 38 0.452 -1.306 -2.169 1.00 1.07 H new ATOM 0 HD12 ILE A 38 -0.784 -2.102 -3.172 1.00 1.07 H new ATOM 0 HD13 ILE A 38 -1.096 -0.488 -2.490 1.00 1.07 H new ATOM 628 N LYS A 39 -5.439 -4.148 -0.223 1.00 1.19 N ATOM 629 CA LYS A 39 -6.887 -4.294 -0.104 1.00 1.40 C ATOM 630 C LYS A 39 -7.375 -5.193 1.057 1.00 1.46 C ATOM 631 O LYS A 39 -8.570 -5.193 1.357 1.00 1.77 O ATOM 632 CB LYS A 39 -7.387 -4.780 -1.464 1.00 1.45 C ATOM 633 CG LYS A 39 -7.411 -3.593 -2.447 1.00 1.84 C ATOM 634 CD LYS A 39 -8.444 -3.815 -3.547 1.00 1.94 C ATOM 635 CE LYS A 39 -8.625 -2.502 -4.318 1.00 3.24 C ATOM 636 NZ LYS A 39 -9.634 -2.601 -5.398 1.00 4.25 N ATOM 0 H LYS A 39 -5.010 -4.904 -0.756 1.00 1.19 H new ATOM 0 HA LYS A 39 -7.310 -3.326 0.164 1.00 1.40 H new ATOM 0 HB2 LYS A 39 -6.738 -5.569 -1.843 1.00 1.45 H new ATOM 0 HB3 LYS A 39 -8.385 -5.208 -1.367 1.00 1.45 H new ATOM 0 HG2 LYS A 39 -7.641 -2.674 -1.908 1.00 1.84 H new ATOM 0 HG3 LYS A 39 -6.424 -3.464 -2.891 1.00 1.84 H new ATOM 0 HD2 LYS A 39 -8.116 -4.607 -4.220 1.00 1.94 H new ATOM 0 HD3 LYS A 39 -9.393 -4.135 -3.116 1.00 1.94 H new ATOM 0 HE2 LYS A 39 -8.921 -1.716 -3.623 1.00 3.24 H new ATOM 0 HE3 LYS A 39 -7.669 -2.204 -4.748 1.00 3.24 H new ATOM 0 HZ1 LYS A 39 -9.913 -1.646 -5.701 1.00 4.25 H new ATOM 0 HZ2 LYS A 39 -9.229 -3.116 -6.205 1.00 4.25 H new ATOM 0 HZ3 LYS A 39 -10.470 -3.110 -5.047 1.00 4.25 H new ATOM 650 N LYS A 40 -6.496 -5.963 1.716 1.00 1.25 N ATOM 651 CA LYS A 40 -6.777 -6.751 2.928 1.00 1.38 C ATOM 652 C LYS A 40 -6.451 -5.988 4.212 1.00 1.45 C ATOM 653 O LYS A 40 -7.273 -5.959 5.123 1.00 1.73 O ATOM 654 CB LYS A 40 -5.937 -8.048 2.913 1.00 1.29 C ATOM 655 CG LYS A 40 -6.674 -9.282 2.406 1.00 1.68 C ATOM 656 CD LYS A 40 -7.299 -9.144 1.020 1.00 1.90 C ATOM 657 CE LYS A 40 -7.839 -10.530 0.657 1.00 2.08 C ATOM 658 NZ LYS A 40 -8.566 -10.511 -0.629 1.00 2.77 N ATOM 0 H LYS A 40 -5.529 -6.058 1.407 1.00 1.25 H new ATOM 0 HA LYS A 40 -7.845 -6.971 2.920 1.00 1.38 H new ATOM 0 HB2 LYS A 40 -5.057 -7.887 2.291 1.00 1.29 H new ATOM 0 HB3 LYS A 40 -5.581 -8.245 3.924 1.00 1.29 H new ATOM 0 HG2 LYS A 40 -5.978 -10.120 2.391 1.00 1.68 H new ATOM 0 HG3 LYS A 40 -7.460 -9.534 3.118 1.00 1.68 H new ATOM 0 HD2 LYS A 40 -8.099 -8.403 1.025 1.00 1.90 H new ATOM 0 HD3 LYS A 40 -6.560 -8.810 0.291 1.00 1.90 H new ATOM 0 HE2 LYS A 40 -7.013 -11.239 0.598 1.00 2.08 H new ATOM 0 HE3 LYS A 40 -8.504 -10.880 1.446 1.00 2.08 H new ATOM 0 HZ1 LYS A 40 -9.127 -11.381 -0.723 1.00 2.77 H new ATOM 0 HZ2 LYS A 40 -9.199 -9.686 -0.658 1.00 2.77 H new ATOM 0 HZ3 LYS A 40 -7.884 -10.452 -1.412 1.00 2.77 H new ATOM 672 N GLU A 41 -5.252 -5.408 4.304 1.00 1.30 N ATOM 673 CA GLU A 41 -4.782 -4.741 5.528 1.00 1.40 C ATOM 674 C GLU A 41 -5.338 -3.313 5.647 1.00 1.52 C ATOM 675 O GLU A 41 -5.243 -2.688 6.708 1.00 1.93 O ATOM 676 CB GLU A 41 -3.252 -4.727 5.575 1.00 1.52 C ATOM 677 CG GLU A 41 -2.606 -6.111 5.446 1.00 1.78 C ATOM 678 CD GLU A 41 -2.952 -7.075 6.572 1.00 2.94 C ATOM 679 OE1 GLU A 41 -3.038 -6.663 7.749 1.00 3.74 O ATOM 680 OE2 GLU A 41 -3.014 -8.299 6.313 1.00 4.00 O ATOM 0 H GLU A 41 -4.579 -5.385 3.537 1.00 1.30 H new ATOM 0 HA GLU A 41 -5.156 -5.311 6.379 1.00 1.40 H new ATOM 0 HB2 GLU A 41 -2.881 -4.089 4.773 1.00 1.52 H new ATOM 0 HB3 GLU A 41 -2.933 -4.276 6.514 1.00 1.52 H new ATOM 0 HG2 GLU A 41 -2.912 -6.554 4.498 1.00 1.78 H new ATOM 0 HG3 GLU A 41 -1.523 -5.991 5.407 1.00 1.78 H new ATOM 687 N LEU A 42 -5.954 -2.818 4.571 1.00 1.34 N ATOM 688 CA LEU A 42 -6.711 -1.576 4.502 1.00 1.40 C ATOM 689 C LEU A 42 -7.975 -1.833 3.669 1.00 1.42 C ATOM 690 O LEU A 42 -7.875 -2.262 2.518 1.00 1.78 O ATOM 691 CB LEU A 42 -5.780 -0.477 3.942 1.00 1.58 C ATOM 692 CG LEU A 42 -5.826 0.830 4.755 1.00 1.63 C ATOM 693 CD1 LEU A 42 -4.699 1.774 4.304 1.00 2.12 C ATOM 694 CD2 LEU A 42 -7.185 1.536 4.655 1.00 2.01 C ATOM 0 H LEU A 42 -5.934 -3.305 3.675 1.00 1.34 H new ATOM 0 HA LEU A 42 -7.051 -1.225 5.476 1.00 1.40 H new ATOM 0 HB2 LEU A 42 -4.756 -0.851 3.925 1.00 1.58 H new ATOM 0 HB3 LEU A 42 -6.059 -0.265 2.910 1.00 1.58 H new ATOM 0 HG LEU A 42 -5.681 0.564 5.802 1.00 1.63 H new ATOM 0 HD11 LEU A 42 -4.741 2.695 4.886 1.00 2.12 H new ATOM 0 HD12 LEU A 42 -3.735 1.290 4.460 1.00 2.12 H new ATOM 0 HD13 LEU A 42 -4.821 2.007 3.246 1.00 2.12 H new ATOM 0 HD21 LEU A 42 -7.164 2.452 5.246 1.00 2.01 H new ATOM 0 HD22 LEU A 42 -7.392 1.781 3.613 1.00 2.01 H new ATOM 0 HD23 LEU A 42 -7.966 0.877 5.034 1.00 2.01 H new ATOM 706 N CYS A 43 -9.170 -1.636 4.244 1.00 1.45 N ATOM 707 CA CYS A 43 -10.429 -1.913 3.544 1.00 1.51 C ATOM 708 C CYS A 43 -10.603 -0.918 2.384 1.00 1.75 C ATOM 709 O CYS A 43 -10.922 0.252 2.617 1.00 2.89 O ATOM 710 CB CYS A 43 -11.598 -1.864 4.543 1.00 2.11 C ATOM 711 SG CYS A 43 -13.042 -2.646 3.768 1.00 2.49 S ATOM 0 H CYS A 43 -9.289 -1.285 5.194 1.00 1.45 H new ATOM 0 HA CYS A 43 -10.412 -2.915 3.114 1.00 1.51 H new ATOM 0 HB2 CYS A 43 -11.333 -2.384 5.464 1.00 2.11 H new ATOM 0 HB3 CYS A 43 -11.824 -0.832 4.813 1.00 2.11 H new ATOM 0 HG CYS A 43 -14.045 -2.620 4.594 1.00 2.49 H new ATOM 774 N LYS A 48 -14.026 4.078 -3.688 1.00 2.39 N ATOM 775 CA LYS A 48 -13.522 4.989 -4.734 1.00 2.24 C ATOM 776 C LYS A 48 -14.304 4.836 -6.060 1.00 2.80 C ATOM 777 O LYS A 48 -15.019 3.858 -6.256 1.00 3.73 O ATOM 778 CB LYS A 48 -11.996 4.793 -4.910 1.00 2.77 C ATOM 779 CG LYS A 48 -11.113 5.248 -3.734 1.00 2.94 C ATOM 780 CD LYS A 48 -11.267 4.455 -2.431 1.00 4.03 C ATOM 781 CE LYS A 48 -11.173 2.942 -2.663 1.00 5.55 C ATOM 782 NZ LYS A 48 -11.318 2.170 -1.413 1.00 7.19 N ATOM 0 HA LYS A 48 -13.691 6.017 -4.414 1.00 2.24 H new ATOM 0 HB2 LYS A 48 -11.805 3.736 -5.093 1.00 2.77 H new ATOM 0 HB3 LYS A 48 -11.682 5.333 -5.803 1.00 2.77 H new ATOM 0 HG2 LYS A 48 -10.070 5.195 -4.047 1.00 2.94 H new ATOM 0 HG3 LYS A 48 -11.331 6.296 -3.526 1.00 2.94 H new ATOM 0 HD2 LYS A 48 -10.494 4.762 -1.727 1.00 4.03 H new ATOM 0 HD3 LYS A 48 -12.228 4.692 -1.974 1.00 4.03 H new ATOM 0 HE2 LYS A 48 -11.947 2.637 -3.367 1.00 5.55 H new ATOM 0 HE3 LYS A 48 -10.213 2.707 -3.123 1.00 5.55 H new ATOM 0 HZ1 LYS A 48 -11.247 1.154 -1.622 1.00 7.19 H new ATOM 0 HZ2 LYS A 48 -10.565 2.440 -0.749 1.00 7.19 H new ATOM 0 HZ3 LYS A 48 -12.245 2.372 -0.986 1.00 7.19 H new ATOM 796 N GLU A 49 -14.169 5.804 -6.968 1.00 2.89 N ATOM 797 CA GLU A 49 -14.821 5.826 -8.292 1.00 3.61 C ATOM 798 C GLU A 49 -14.109 4.952 -9.339 1.00 3.17 C ATOM 799 O GLU A 49 -14.752 4.365 -10.204 1.00 4.61 O ATOM 800 CB GLU A 49 -14.954 7.271 -8.837 1.00 4.55 C ATOM 801 CG GLU A 49 -13.882 8.305 -8.442 1.00 5.29 C ATOM 802 CD GLU A 49 -12.449 7.808 -8.620 1.00 5.46 C ATOM 803 OE1 GLU A 49 -11.949 7.204 -7.646 1.00 5.44 O ATOM 804 OE2 GLU A 49 -11.880 7.912 -9.728 1.00 6.30 O ATOM 0 H GLU A 49 -13.585 6.624 -6.803 1.00 2.89 H new ATOM 0 HA GLU A 49 -15.812 5.403 -8.128 1.00 3.61 H new ATOM 0 HB2 GLU A 49 -14.976 7.215 -9.925 1.00 4.55 H new ATOM 0 HB3 GLU A 49 -15.922 7.658 -8.519 1.00 4.55 H new ATOM 0 HG2 GLU A 49 -14.021 9.205 -9.041 1.00 5.29 H new ATOM 0 HG3 GLU A 49 -14.031 8.589 -7.400 1.00 5.29 H new ATOM 811 N SER A 50 -12.784 4.879 -9.263 1.00 2.03 N ATOM 812 CA SER A 50 -11.849 4.252 -10.205 1.00 1.98 C ATOM 813 C SER A 50 -10.447 4.464 -9.612 1.00 1.87 C ATOM 814 O SER A 50 -10.300 4.326 -8.402 1.00 2.49 O ATOM 815 CB SER A 50 -12.018 4.834 -11.625 1.00 2.54 C ATOM 816 OG SER A 50 -11.152 4.189 -12.550 1.00 3.79 O ATOM 0 H SER A 50 -12.289 5.292 -8.473 1.00 2.03 H new ATOM 0 HA SER A 50 -12.037 3.185 -10.327 1.00 1.98 H new ATOM 0 HB2 SER A 50 -13.052 4.717 -11.948 1.00 2.54 H new ATOM 0 HB3 SER A 50 -11.808 5.903 -11.610 1.00 2.54 H new ATOM 0 HG SER A 50 -11.280 4.575 -13.442 1.00 3.79 H new ATOM 822 N SER A 51 -9.426 4.815 -10.404 1.00 2.12 N ATOM 823 CA SER A 51 -8.232 5.593 -9.999 1.00 1.91 C ATOM 824 C SER A 51 -7.205 4.812 -9.156 1.00 1.66 C ATOM 825 O SER A 51 -6.025 4.760 -9.491 1.00 1.90 O ATOM 826 CB SER A 51 -8.651 6.895 -9.291 1.00 2.27 C ATOM 827 OG SER A 51 -9.329 7.754 -10.195 1.00 3.14 O ATOM 0 H SER A 51 -9.402 4.556 -11.390 1.00 2.12 H new ATOM 0 HA SER A 51 -7.711 5.829 -10.927 1.00 1.91 H new ATOM 0 HB2 SER A 51 -9.298 6.664 -8.444 1.00 2.27 H new ATOM 0 HB3 SER A 51 -7.771 7.399 -8.892 1.00 2.27 H new ATOM 0 HG SER A 51 -10.155 8.080 -9.780 1.00 3.14 H new ATOM 833 N ILE A 52 -7.645 4.138 -8.094 1.00 1.44 N ATOM 834 CA ILE A 52 -6.955 2.989 -7.500 1.00 1.37 C ATOM 835 C ILE A 52 -7.071 1.758 -8.379 1.00 1.13 C ATOM 836 O ILE A 52 -6.106 1.008 -8.497 1.00 1.22 O ATOM 837 CB ILE A 52 -7.490 2.726 -6.079 1.00 1.54 C ATOM 838 CG1 ILE A 52 -7.018 1.403 -5.420 1.00 2.73 C ATOM 839 CG2 ILE A 52 -9.018 2.814 -5.926 1.00 2.34 C ATOM 840 CD1 ILE A 52 -5.501 1.213 -5.344 1.00 3.91 C ATOM 0 H ILE A 52 -8.510 4.379 -7.611 1.00 1.44 H new ATOM 0 HA ILE A 52 -5.893 3.224 -7.426 1.00 1.37 H new ATOM 0 HB ILE A 52 -7.033 3.561 -5.547 1.00 1.54 H new ATOM 0 HG12 ILE A 52 -7.424 1.355 -4.410 1.00 2.73 H new ATOM 0 HG13 ILE A 52 -7.445 0.568 -5.975 1.00 2.73 H new ATOM 0 HG21 ILE A 52 -9.292 2.613 -4.890 1.00 2.34 H new ATOM 0 HG22 ILE A 52 -9.354 3.813 -6.203 1.00 2.34 H new ATOM 0 HG23 ILE A 52 -9.492 2.078 -6.576 1.00 2.34 H new ATOM 0 HD11 ILE A 52 -5.277 0.259 -4.867 1.00 3.91 H new ATOM 0 HD12 ILE A 52 -5.082 1.223 -6.350 1.00 3.91 H new ATOM 0 HD13 ILE A 52 -5.062 2.022 -4.760 1.00 3.91 H new ATOM 852 N ASP A 53 -8.228 1.507 -8.982 1.00 1.10 N ATOM 853 CA ASP A 53 -8.441 0.237 -9.672 1.00 1.27 C ATOM 854 C ASP A 53 -7.855 0.190 -11.100 1.00 1.43 C ATOM 855 O ASP A 53 -7.681 -0.899 -11.644 1.00 1.71 O ATOM 856 CB ASP A 53 -9.875 -0.269 -9.461 1.00 2.03 C ATOM 857 CG ASP A 53 -9.920 -1.072 -8.148 1.00 3.50 C ATOM 858 OD1 ASP A 53 -10.051 -0.476 -7.054 1.00 5.00 O ATOM 859 OD2 ASP A 53 -9.699 -2.308 -8.158 1.00 3.89 O ATOM 0 H ASP A 53 -9.019 2.150 -9.009 1.00 1.10 H new ATOM 0 HA ASP A 53 -7.826 -0.529 -9.198 1.00 1.27 H new ATOM 0 HB2 ASP A 53 -10.570 0.569 -9.417 1.00 2.03 H new ATOM 0 HB3 ASP A 53 -10.183 -0.895 -10.299 1.00 2.03 H new ATOM 864 N ASP A 54 -7.405 1.332 -11.641 1.00 1.47 N ATOM 865 CA ASP A 54 -6.422 1.391 -12.739 1.00 1.71 C ATOM 866 C ASP A 54 -5.007 0.999 -12.271 1.00 1.66 C ATOM 867 O ASP A 54 -4.323 0.236 -12.954 1.00 1.83 O ATOM 868 CB ASP A 54 -6.398 2.792 -13.359 1.00 1.96 C ATOM 869 CG ASP A 54 -5.432 2.851 -14.553 1.00 2.26 C ATOM 870 OD1 ASP A 54 -5.826 2.362 -15.639 1.00 3.51 O ATOM 871 OD2 ASP A 54 -4.290 3.336 -14.368 1.00 2.27 O ATOM 0 H ASP A 54 -7.715 2.252 -11.327 1.00 1.47 H new ATOM 0 HA ASP A 54 -6.734 0.666 -13.491 1.00 1.71 H new ATOM 0 HB2 ASP A 54 -7.401 3.066 -13.685 1.00 1.96 H new ATOM 0 HB3 ASP A 54 -6.097 3.521 -12.607 1.00 1.96 H new ATOM 876 N LEU A 55 -4.582 1.428 -11.075 1.00 1.51 N ATOM 877 CA LEU A 55 -3.312 0.991 -10.474 1.00 1.58 C ATOM 878 C LEU A 55 -3.354 -0.517 -10.155 1.00 1.53 C ATOM 879 O LEU A 55 -2.407 -1.251 -10.456 1.00 1.71 O ATOM 880 CB LEU A 55 -2.992 1.816 -9.216 1.00 1.52 C ATOM 881 CG LEU A 55 -2.857 3.339 -9.406 1.00 1.67 C ATOM 882 CD1 LEU A 55 -2.852 4.012 -8.024 1.00 1.68 C ATOM 883 CD2 LEU A 55 -1.554 3.719 -10.127 1.00 1.88 C ATOM 0 H LEU A 55 -5.106 2.086 -10.498 1.00 1.51 H new ATOM 0 HA LEU A 55 -2.513 1.160 -11.196 1.00 1.58 H new ATOM 0 HB2 LEU A 55 -3.775 1.633 -8.480 1.00 1.52 H new ATOM 0 HB3 LEU A 55 -2.061 1.442 -8.791 1.00 1.52 H new ATOM 0 HG LEU A 55 -3.697 3.673 -10.015 1.00 1.67 H new ATOM 0 HD11 LEU A 55 -2.757 5.091 -8.145 1.00 1.68 H new ATOM 0 HD12 LEU A 55 -3.784 3.786 -7.506 1.00 1.68 H new ATOM 0 HD13 LEU A 55 -2.012 3.637 -7.440 1.00 1.68 H new ATOM 0 HD21 LEU A 55 -1.502 4.802 -10.239 1.00 1.88 H new ATOM 0 HD22 LEU A 55 -0.701 3.373 -9.543 1.00 1.88 H new ATOM 0 HD23 LEU A 55 -1.533 3.251 -11.111 1.00 1.88 H new ATOM 895 N MET A 56 -4.493 -1.000 -9.638 1.00 1.33 N ATOM 896 CA MET A 56 -4.821 -2.432 -9.508 1.00 1.44 C ATOM 897 C MET A 56 -4.865 -3.150 -10.857 1.00 1.72 C ATOM 898 O MET A 56 -4.747 -4.373 -10.870 1.00 2.33 O ATOM 899 CB MET A 56 -6.182 -2.668 -8.839 1.00 1.34 C ATOM 900 CG MET A 56 -6.310 -2.173 -7.403 1.00 1.21 C ATOM 901 SD MET A 56 -5.624 -3.314 -6.177 1.00 1.58 S ATOM 902 CE MET A 56 -4.062 -2.481 -5.845 1.00 1.66 C ATOM 0 H MET A 56 -5.233 -0.391 -9.289 1.00 1.33 H new ATOM 0 HA MET A 56 -4.019 -2.834 -8.889 1.00 1.44 H new ATOM 0 HB2 MET A 56 -6.950 -2.182 -9.441 1.00 1.34 H new ATOM 0 HB3 MET A 56 -6.393 -3.737 -8.855 1.00 1.34 H new ATOM 0 HG2 MET A 56 -5.806 -1.211 -7.313 1.00 1.21 H new ATOM 0 HG3 MET A 56 -7.363 -2.003 -7.179 1.00 1.21 H new ATOM 0 HE1 MET A 56 -3.791 -2.620 -4.799 1.00 1.66 H new ATOM 0 HE2 MET A 56 -3.283 -2.902 -6.481 1.00 1.66 H new ATOM 0 HE3 MET A 56 -4.166 -1.416 -6.054 1.00 1.66 H new ATOM 912 N LYS A 57 -5.053 -2.453 -11.982 1.00 1.48 N ATOM 913 CA LYS A 57 -4.839 -3.015 -13.318 1.00 1.67 C ATOM 914 C LYS A 57 -3.356 -2.953 -13.731 1.00 1.82 C ATOM 915 O LYS A 57 -2.863 -3.898 -14.326 1.00 2.08 O ATOM 916 CB LYS A 57 -5.756 -2.314 -14.340 1.00 1.70 C ATOM 917 CG LYS A 57 -6.486 -3.254 -15.315 1.00 2.18 C ATOM 918 CD LYS A 57 -5.599 -4.108 -16.246 1.00 3.23 C ATOM 919 CE LYS A 57 -5.100 -5.446 -15.669 1.00 4.34 C ATOM 920 NZ LYS A 57 -6.193 -6.353 -15.247 1.00 5.22 N ATOM 0 H LYS A 57 -5.359 -1.480 -11.991 1.00 1.48 H new ATOM 0 HA LYS A 57 -5.106 -4.072 -13.295 1.00 1.67 H new ATOM 0 HB2 LYS A 57 -6.500 -1.730 -13.797 1.00 1.70 H new ATOM 0 HB3 LYS A 57 -5.158 -1.610 -14.918 1.00 1.70 H new ATOM 0 HG2 LYS A 57 -7.116 -3.927 -14.733 1.00 2.18 H new ATOM 0 HG3 LYS A 57 -7.151 -2.652 -15.935 1.00 2.18 H new ATOM 0 HD2 LYS A 57 -6.159 -4.315 -17.158 1.00 3.23 H new ATOM 0 HD3 LYS A 57 -4.732 -3.514 -16.533 1.00 3.23 H new ATOM 0 HE2 LYS A 57 -4.489 -5.950 -16.418 1.00 4.34 H new ATOM 0 HE3 LYS A 57 -4.455 -5.245 -14.814 1.00 4.34 H new ATOM 0 HZ1 LYS A 57 -6.036 -6.652 -14.264 1.00 5.22 H new ATOM 0 HZ2 LYS A 57 -7.103 -5.855 -15.316 1.00 5.22 H new ATOM 0 HZ3 LYS A 57 -6.208 -7.189 -15.865 1.00 5.22 H new ATOM 934 N SER A 58 -2.627 -1.885 -13.418 1.00 1.76 N ATOM 935 CA SER A 58 -1.216 -1.686 -13.779 1.00 1.97 C ATOM 936 C SER A 58 -0.266 -2.730 -13.169 1.00 2.08 C ATOM 937 O SER A 58 0.506 -3.347 -13.908 1.00 2.68 O ATOM 938 CB SER A 58 -0.782 -0.269 -13.381 1.00 1.94 C ATOM 939 OG SER A 58 0.525 -0.005 -13.868 1.00 2.29 O ATOM 0 H SER A 58 -3.011 -1.103 -12.887 1.00 1.76 H new ATOM 0 HA SER A 58 -1.145 -1.817 -14.859 1.00 1.97 H new ATOM 0 HB2 SER A 58 -1.483 0.461 -13.784 1.00 1.94 H new ATOM 0 HB3 SER A 58 -0.802 -0.165 -12.296 1.00 1.94 H new ATOM 0 HG SER A 58 0.793 0.902 -13.611 1.00 2.29 H new ATOM 945 N LEU A 59 -0.341 -2.979 -11.851 1.00 1.56 N ATOM 946 CA LEU A 59 0.491 -3.998 -11.186 1.00 1.47 C ATOM 947 C LEU A 59 0.207 -5.409 -11.735 1.00 1.57 C ATOM 948 O LEU A 59 1.105 -6.219 -11.950 1.00 1.73 O ATOM 949 CB LEU A 59 0.224 -3.963 -9.666 1.00 1.26 C ATOM 950 CG LEU A 59 0.499 -2.635 -8.926 1.00 1.30 C ATOM 951 CD1 LEU A 59 0.313 -2.875 -7.422 1.00 1.26 C ATOM 952 CD2 LEU A 59 1.899 -2.073 -9.212 1.00 1.56 C ATOM 0 H LEU A 59 -0.973 -2.485 -11.221 1.00 1.56 H new ATOM 0 HA LEU A 59 1.537 -3.769 -11.387 1.00 1.47 H new ATOM 0 HB2 LEU A 59 -0.820 -4.230 -9.501 1.00 1.26 H new ATOM 0 HB3 LEU A 59 0.830 -4.740 -9.200 1.00 1.26 H new ATOM 0 HG LEU A 59 -0.206 -1.887 -9.289 1.00 1.30 H new ATOM 0 HD11 LEU A 59 0.503 -1.949 -6.880 1.00 1.26 H new ATOM 0 HD12 LEU A 59 -0.708 -3.206 -7.230 1.00 1.26 H new ATOM 0 HD13 LEU A 59 1.012 -3.641 -7.087 1.00 1.26 H new ATOM 0 HD21 LEU A 59 2.035 -1.140 -8.665 1.00 1.56 H new ATOM 0 HD22 LEU A 59 2.652 -2.793 -8.893 1.00 1.56 H new ATOM 0 HD23 LEU A 59 2.005 -1.886 -10.281 1.00 1.56 H new ATOM 964 N ASP A 60 -1.073 -5.651 -11.999 1.00 1.56 N ATOM 965 CA ASP A 60 -1.721 -6.869 -12.489 1.00 1.81 C ATOM 966 C ASP A 60 -1.395 -7.188 -13.963 1.00 2.16 C ATOM 967 O ASP A 60 -1.617 -8.312 -14.399 1.00 2.53 O ATOM 968 CB ASP A 60 -3.214 -6.610 -12.242 1.00 1.81 C ATOM 969 CG ASP A 60 -4.194 -7.774 -12.331 1.00 2.29 C ATOM 970 OD1 ASP A 60 -4.251 -8.514 -11.321 1.00 3.14 O ATOM 971 OD2 ASP A 60 -5.083 -7.740 -13.214 1.00 2.99 O ATOM 0 H ASP A 60 -1.764 -4.914 -11.859 1.00 1.56 H new ATOM 0 HA ASP A 60 -1.363 -7.760 -11.973 1.00 1.81 H new ATOM 0 HB2 ASP A 60 -3.312 -6.174 -11.248 1.00 1.81 H new ATOM 0 HB3 ASP A 60 -3.538 -5.852 -12.955 1.00 1.81 H new ATOM 976 N LYS A 61 -0.839 -6.234 -14.727 1.00 2.22 N ATOM 977 CA LYS A 61 -0.253 -6.488 -16.055 1.00 2.67 C ATOM 978 C LYS A 61 1.038 -7.312 -16.006 1.00 2.64 C ATOM 979 O LYS A 61 1.292 -8.138 -16.878 1.00 3.15 O ATOM 980 CB LYS A 61 0.126 -5.179 -16.723 1.00 2.87 C ATOM 981 CG LYS A 61 -1.020 -4.209 -17.019 1.00 3.27 C ATOM 982 CD LYS A 61 -0.549 -3.089 -17.952 1.00 2.51 C ATOM 983 CE LYS A 61 0.839 -2.625 -17.498 1.00 3.00 C ATOM 984 NZ LYS A 61 1.326 -1.424 -18.209 1.00 3.78 N ATOM 0 H LYS A 61 -0.783 -5.257 -14.439 1.00 2.22 H new ATOM 0 HA LYS A 61 -1.021 -7.037 -16.600 1.00 2.67 H new ATOM 0 HB2 LYS A 61 0.850 -4.669 -16.088 1.00 2.87 H new ATOM 0 HB3 LYS A 61 0.631 -5.408 -17.662 1.00 2.87 H new ATOM 0 HG2 LYS A 61 -1.850 -4.747 -17.477 1.00 3.27 H new ATOM 0 HG3 LYS A 61 -1.392 -3.782 -16.088 1.00 3.27 H new ATOM 0 HD2 LYS A 61 -0.511 -3.445 -18.981 1.00 2.51 H new ATOM 0 HD3 LYS A 61 -1.252 -2.257 -17.929 1.00 2.51 H new ATOM 0 HE2 LYS A 61 0.811 -2.417 -16.428 1.00 3.00 H new ATOM 0 HE3 LYS A 61 1.550 -3.437 -17.646 1.00 3.00 H new ATOM 0 HZ1 LYS A 61 2.268 -1.167 -17.852 1.00 3.78 H new ATOM 0 HZ2 LYS A 61 1.385 -1.624 -19.228 1.00 3.78 H new ATOM 0 HZ3 LYS A 61 0.668 -0.635 -18.048 1.00 3.78 H new ATOM 998 N ASN A 62 1.902 -6.964 -15.047 1.00 2.04 N ATOM 999 CA ASN A 62 3.316 -7.352 -15.029 1.00 1.76 C ATOM 1000 C ASN A 62 3.614 -8.379 -13.924 1.00 1.70 C ATOM 1001 O ASN A 62 4.531 -9.188 -14.035 1.00 2.39 O ATOM 1002 CB ASN A 62 4.165 -6.107 -14.761 1.00 1.86 C ATOM 1003 CG ASN A 62 4.275 -5.082 -15.885 1.00 2.08 C ATOM 1004 OD1 ASN A 62 3.404 -4.889 -16.722 1.00 2.94 O ATOM 1005 ND2 ASN A 62 5.379 -4.364 -15.893 1.00 2.45 N ATOM 0 H ASN A 62 1.633 -6.393 -14.246 1.00 2.04 H new ATOM 0 HA ASN A 62 3.552 -7.801 -15.994 1.00 1.76 H new ATOM 0 HB2 ASN A 62 3.759 -5.604 -13.884 1.00 1.86 H new ATOM 0 HB3 ASN A 62 5.172 -6.434 -14.503 1.00 1.86 H new ATOM 0 HD21 ASN A 62 5.512 -3.641 -16.600 1.00 2.45 H new ATOM 0 HD22 ASN A 62 6.101 -4.531 -15.192 1.00 2.45 H new ATOM 1012 N SER A 63 2.841 -8.317 -12.841 1.00 1.45 N ATOM 1013 CA SER A 63 2.338 -9.470 -12.088 1.00 1.59 C ATOM 1014 C SER A 63 3.314 -10.073 -11.074 1.00 1.39 C ATOM 1015 O SER A 63 3.038 -10.088 -9.878 1.00 1.49 O ATOM 1016 CB SER A 63 1.858 -10.557 -13.060 1.00 1.98 C ATOM 1017 OG SER A 63 1.003 -11.488 -12.431 1.00 2.85 O ATOM 0 H SER A 63 2.534 -7.428 -12.447 1.00 1.45 H new ATOM 0 HA SER A 63 1.514 -9.081 -11.490 1.00 1.59 H new ATOM 0 HB2 SER A 63 1.335 -10.091 -13.895 1.00 1.98 H new ATOM 0 HB3 SER A 63 2.720 -11.079 -13.475 1.00 1.98 H new ATOM 0 HG SER A 63 1.532 -12.087 -11.864 1.00 2.85 H new ATOM 1023 N ASP A 64 4.464 -10.561 -11.531 1.00 1.39 N ATOM 1024 CA ASP A 64 5.309 -11.524 -10.809 1.00 1.57 C ATOM 1025 C ASP A 64 6.788 -11.306 -11.142 1.00 1.31 C ATOM 1026 O ASP A 64 7.660 -12.132 -10.882 1.00 1.74 O ATOM 1027 CB ASP A 64 4.809 -12.956 -11.078 1.00 2.50 C ATOM 1028 CG ASP A 64 3.513 -13.233 -10.308 1.00 3.57 C ATOM 1029 OD1 ASP A 64 3.632 -13.564 -9.103 1.00 4.89 O ATOM 1030 OD2 ASP A 64 2.423 -13.035 -10.901 1.00 3.72 O ATOM 0 H ASP A 64 4.849 -10.294 -12.437 1.00 1.39 H new ATOM 0 HA ASP A 64 5.228 -11.363 -9.734 1.00 1.57 H new ATOM 0 HB2 ASP A 64 4.639 -13.092 -12.146 1.00 2.50 H new ATOM 0 HB3 ASP A 64 5.574 -13.675 -10.783 1.00 2.50 H new ATOM 1035 N GLN A 65 7.076 -10.102 -11.637 1.00 1.19 N ATOM 1036 CA GLN A 65 8.265 -9.410 -11.181 1.00 1.12 C ATOM 1037 C GLN A 65 8.068 -8.960 -9.732 1.00 0.97 C ATOM 1038 O GLN A 65 6.942 -8.823 -9.247 1.00 1.03 O ATOM 1039 CB GLN A 65 8.596 -8.183 -12.050 1.00 1.30 C ATOM 1040 CG GLN A 65 7.492 -7.598 -12.955 1.00 1.48 C ATOM 1041 CD GLN A 65 7.861 -6.213 -13.505 1.00 1.91 C ATOM 1042 OE1 GLN A 65 7.039 -5.329 -13.675 1.00 2.50 O ATOM 1043 NE2 GLN A 65 9.108 -5.945 -13.811 1.00 2.63 N ATOM 0 H GLN A 65 6.518 -9.605 -12.331 1.00 1.19 H new ATOM 0 HA GLN A 65 9.099 -10.107 -11.258 1.00 1.12 H new ATOM 0 HB2 GLN A 65 8.934 -7.388 -11.385 1.00 1.30 H new ATOM 0 HB3 GLN A 65 9.440 -8.447 -12.687 1.00 1.30 H new ATOM 0 HG2 GLN A 65 7.308 -8.279 -13.786 1.00 1.48 H new ATOM 0 HG3 GLN A 65 6.563 -7.526 -12.390 1.00 1.48 H new ATOM 0 HE21 GLN A 65 9.828 -6.656 -13.684 1.00 2.63 H new ATOM 0 HE22 GLN A 65 9.357 -5.026 -14.176 1.00 2.63 H new ATOM 1052 N GLU A 66 9.177 -8.646 -9.075 1.00 0.87 N ATOM 1053 CA GLU A 66 9.170 -8.117 -7.725 1.00 0.84 C ATOM 1054 C GLU A 66 8.833 -6.620 -7.668 1.00 1.01 C ATOM 1055 O GLU A 66 9.022 -5.873 -8.634 1.00 1.23 O ATOM 1056 CB GLU A 66 10.527 -8.395 -7.076 1.00 0.80 C ATOM 1057 CG GLU A 66 10.724 -9.890 -6.808 1.00 0.83 C ATOM 1058 CD GLU A 66 12.168 -10.153 -6.414 1.00 1.28 C ATOM 1059 OE1 GLU A 66 12.480 -9.917 -5.225 1.00 2.06 O ATOM 1060 OE2 GLU A 66 12.947 -10.520 -7.320 1.00 2.44 O ATOM 0 H GLU A 66 10.111 -8.753 -9.470 1.00 0.87 H new ATOM 0 HA GLU A 66 8.378 -8.622 -7.172 1.00 0.84 H new ATOM 0 HB2 GLU A 66 11.324 -8.033 -7.726 1.00 0.80 H new ATOM 0 HB3 GLU A 66 10.604 -7.843 -6.139 1.00 0.80 H new ATOM 0 HG2 GLU A 66 10.054 -10.218 -6.013 1.00 0.83 H new ATOM 0 HG3 GLU A 66 10.469 -10.466 -7.698 1.00 0.83 H new ATOM 1067 N ILE A 67 8.333 -6.207 -6.499 1.00 0.98 N ATOM 1068 CA ILE A 67 8.158 -4.826 -6.022 1.00 1.10 C ATOM 1069 C ILE A 67 8.925 -4.613 -4.711 1.00 0.98 C ATOM 1070 O ILE A 67 8.867 -5.464 -3.830 1.00 0.86 O ATOM 1071 CB ILE A 67 6.654 -4.534 -5.786 1.00 1.23 C ATOM 1072 CG1 ILE A 67 5.965 -4.402 -7.148 1.00 1.84 C ATOM 1073 CG2 ILE A 67 6.469 -3.246 -4.969 1.00 1.92 C ATOM 1074 CD1 ILE A 67 4.455 -4.182 -7.125 1.00 2.19 C ATOM 0 H ILE A 67 8.014 -6.882 -5.804 1.00 0.98 H new ATOM 0 HA ILE A 67 8.548 -4.147 -6.780 1.00 1.10 H new ATOM 0 HB ILE A 67 6.209 -5.352 -5.220 1.00 1.23 H new ATOM 0 HG12 ILE A 67 6.423 -3.571 -7.684 1.00 1.84 H new ATOM 0 HG13 ILE A 67 6.170 -5.304 -7.724 1.00 1.84 H new ATOM 0 HG21 ILE A 67 5.406 -3.062 -4.816 1.00 1.92 H new ATOM 0 HG22 ILE A 67 6.961 -3.354 -4.002 1.00 1.92 H new ATOM 0 HG23 ILE A 67 6.909 -2.407 -5.508 1.00 1.92 H new ATOM 0 HD11 ILE A 67 4.083 -4.104 -8.147 1.00 2.19 H new ATOM 0 HD12 ILE A 67 3.972 -5.022 -6.626 1.00 2.19 H new ATOM 0 HD13 ILE A 67 4.230 -3.262 -6.586 1.00 2.19 H new ATOM 1086 N ASP A 68 9.542 -3.437 -4.583 1.00 1.12 N ATOM 1087 CA ASP A 68 10.147 -2.849 -3.380 1.00 1.19 C ATOM 1088 C ASP A 68 9.104 -2.111 -2.502 1.00 1.14 C ATOM 1089 O ASP A 68 8.208 -1.419 -2.998 1.00 1.35 O ATOM 1090 CB ASP A 68 11.258 -1.903 -3.902 1.00 1.69 C ATOM 1091 CG ASP A 68 11.974 -0.951 -2.925 1.00 0.96 C ATOM 1092 OD1 ASP A 68 11.709 -0.968 -1.705 1.00 1.81 O ATOM 1093 OD2 ASP A 68 12.745 -0.100 -3.428 1.00 1.96 O ATOM 0 H ASP A 68 9.641 -2.816 -5.386 1.00 1.12 H new ATOM 0 HA ASP A 68 10.557 -3.615 -2.722 1.00 1.19 H new ATOM 0 HB2 ASP A 68 12.022 -2.525 -4.369 1.00 1.69 H new ATOM 0 HB3 ASP A 68 10.820 -1.291 -4.690 1.00 1.69 H new ATOM 1098 N PHE A 69 9.285 -2.188 -1.176 1.00 1.04 N ATOM 1099 CA PHE A 69 8.608 -1.386 -0.142 1.00 0.95 C ATOM 1100 C PHE A 69 8.459 0.123 -0.484 1.00 0.82 C ATOM 1101 O PHE A 69 7.585 0.816 0.041 1.00 0.80 O ATOM 1102 CB PHE A 69 9.406 -1.562 1.162 1.00 1.03 C ATOM 1103 CG PHE A 69 8.616 -1.387 2.445 1.00 1.30 C ATOM 1104 CD1 PHE A 69 8.297 -0.106 2.946 1.00 2.16 C ATOM 1105 CD2 PHE A 69 8.225 -2.526 3.171 1.00 2.50 C ATOM 1106 CE1 PHE A 69 7.623 0.034 4.173 1.00 2.79 C ATOM 1107 CE2 PHE A 69 7.551 -2.386 4.395 1.00 3.09 C ATOM 1108 CZ PHE A 69 7.261 -1.109 4.905 1.00 2.84 C ATOM 0 H PHE A 69 9.946 -2.850 -0.771 1.00 1.04 H new ATOM 0 HA PHE A 69 7.584 -1.748 -0.056 1.00 0.95 H new ATOM 0 HB2 PHE A 69 9.850 -2.558 1.163 1.00 1.03 H new ATOM 0 HB3 PHE A 69 10.228 -0.846 1.163 1.00 1.03 H new ATOM 0 HD1 PHE A 69 8.573 0.773 2.383 1.00 2.16 H new ATOM 0 HD2 PHE A 69 8.444 -3.511 2.786 1.00 2.50 H new ATOM 0 HE1 PHE A 69 7.385 1.017 4.551 1.00 2.79 H new ATOM 0 HE2 PHE A 69 7.254 -3.265 4.948 1.00 3.09 H new ATOM 0 HZ PHE A 69 6.761 -1.007 5.857 1.00 2.84 H new ATOM 1118 N LYS A 70 9.292 0.656 -1.380 1.00 0.79 N ATOM 1119 CA LYS A 70 9.284 2.033 -1.871 1.00 0.78 C ATOM 1120 C LYS A 70 8.048 2.330 -2.722 1.00 0.74 C ATOM 1121 O LYS A 70 7.381 3.349 -2.513 1.00 0.74 O ATOM 1122 CB LYS A 70 10.544 2.157 -2.728 1.00 0.96 C ATOM 1123 CG LYS A 70 10.995 3.578 -3.071 1.00 1.46 C ATOM 1124 CD LYS A 70 11.663 4.240 -1.856 1.00 2.04 C ATOM 1125 CE LYS A 70 12.625 5.322 -2.347 1.00 3.11 C ATOM 1126 NZ LYS A 70 13.453 5.855 -1.239 1.00 4.77 N ATOM 0 H LYS A 70 10.035 0.103 -1.807 1.00 0.79 H new ATOM 0 HA LYS A 70 9.261 2.741 -1.042 1.00 0.78 H new ATOM 0 HB2 LYS A 70 11.361 1.655 -2.210 1.00 0.96 H new ATOM 0 HB3 LYS A 70 10.378 1.617 -3.660 1.00 0.96 H new ATOM 0 HG2 LYS A 70 11.693 3.552 -3.908 1.00 1.46 H new ATOM 0 HG3 LYS A 70 10.138 4.171 -3.390 1.00 1.46 H new ATOM 0 HD2 LYS A 70 10.908 4.676 -1.202 1.00 2.04 H new ATOM 0 HD3 LYS A 70 12.201 3.495 -1.270 1.00 2.04 H new ATOM 0 HE2 LYS A 70 13.273 4.911 -3.121 1.00 3.11 H new ATOM 0 HE3 LYS A 70 12.059 6.134 -2.803 1.00 3.11 H new ATOM 0 HZ1 LYS A 70 14.046 6.633 -1.592 1.00 4.77 H new ATOM 0 HZ2 LYS A 70 12.834 6.208 -0.482 1.00 4.77 H new ATOM 0 HZ3 LYS A 70 14.061 5.099 -0.865 1.00 4.77 H new ATOM 1140 N GLU A 71 7.741 1.409 -3.648 1.00 0.78 N ATOM 1141 CA GLU A 71 6.512 1.446 -4.435 1.00 0.77 C ATOM 1142 C GLU A 71 5.330 1.366 -3.469 1.00 0.72 C ATOM 1143 O GLU A 71 4.400 2.157 -3.549 1.00 0.84 O ATOM 1144 CB GLU A 71 6.410 0.313 -5.471 1.00 1.00 C ATOM 1145 CG GLU A 71 7.676 0.082 -6.314 1.00 1.03 C ATOM 1146 CD GLU A 71 7.451 -0.828 -7.535 1.00 1.96 C ATOM 1147 OE1 GLU A 71 6.426 -0.720 -8.250 1.00 2.69 O ATOM 1148 OE2 GLU A 71 8.320 -1.690 -7.792 1.00 2.92 O ATOM 0 H GLU A 71 8.345 0.617 -3.868 1.00 0.78 H new ATOM 0 HA GLU A 71 6.509 2.376 -5.004 1.00 0.77 H new ATOM 0 HB2 GLU A 71 6.165 -0.613 -4.951 1.00 1.00 H new ATOM 0 HB3 GLU A 71 5.580 0.530 -6.143 1.00 1.00 H new ATOM 0 HG2 GLU A 71 8.055 1.045 -6.655 1.00 1.03 H new ATOM 0 HG3 GLU A 71 8.447 -0.358 -5.682 1.00 1.03 H new ATOM 1155 N TYR A 72 5.422 0.483 -2.475 1.00 0.67 N ATOM 1156 CA TYR A 72 4.362 0.253 -1.483 1.00 0.61 C ATOM 1157 C TYR A 72 4.073 1.521 -0.660 1.00 0.56 C ATOM 1158 O TYR A 72 2.910 1.879 -0.485 1.00 0.55 O ATOM 1159 CB TYR A 72 4.756 -0.968 -0.637 1.00 0.63 C ATOM 1160 CG TYR A 72 4.035 -1.243 0.674 1.00 0.56 C ATOM 1161 CD1 TYR A 72 2.661 -1.555 0.703 1.00 1.81 C ATOM 1162 CD2 TYR A 72 4.781 -1.317 1.866 1.00 1.43 C ATOM 1163 CE1 TYR A 72 2.058 -2.006 1.895 1.00 1.84 C ATOM 1164 CE2 TYR A 72 4.180 -1.737 3.067 1.00 1.46 C ATOM 1165 CZ TYR A 72 2.817 -2.099 3.080 1.00 0.70 C ATOM 1166 OH TYR A 72 2.257 -2.553 4.234 1.00 0.88 O ATOM 0 H TYR A 72 6.245 -0.103 -2.331 1.00 0.67 H new ATOM 0 HA TYR A 72 3.415 0.030 -1.975 1.00 0.61 H new ATOM 0 HB2 TYR A 72 4.637 -1.851 -1.265 1.00 0.63 H new ATOM 0 HB3 TYR A 72 5.819 -0.878 -0.411 1.00 0.63 H new ATOM 0 HD1 TYR A 72 2.067 -1.448 -0.193 1.00 1.81 H new ATOM 0 HD2 TYR A 72 5.827 -1.048 1.858 1.00 1.43 H new ATOM 0 HE1 TYR A 72 1.014 -2.281 1.901 1.00 1.84 H new ATOM 0 HE2 TYR A 72 4.761 -1.782 3.976 1.00 1.46 H new ATOM 0 HH TYR A 72 2.963 -2.760 4.881 1.00 0.88 H new ATOM 1176 N SER A 73 5.091 2.270 -0.232 1.00 0.61 N ATOM 1177 CA SER A 73 4.904 3.532 0.488 1.00 0.66 C ATOM 1178 C SER A 73 4.403 4.684 -0.400 1.00 0.66 C ATOM 1179 O SER A 73 3.504 5.408 0.047 1.00 0.69 O ATOM 1180 CB SER A 73 6.170 3.892 1.263 1.00 0.67 C ATOM 1181 OG SER A 73 7.285 4.178 0.442 1.00 1.25 O ATOM 0 H SER A 73 6.069 2.019 -0.375 1.00 0.61 H new ATOM 0 HA SER A 73 4.098 3.375 1.205 1.00 0.66 H new ATOM 0 HB2 SER A 73 5.964 4.757 1.893 1.00 0.67 H new ATOM 0 HB3 SER A 73 6.424 3.067 1.928 1.00 0.67 H new ATOM 0 HG SER A 73 8.085 4.278 1.000 1.00 1.25 H new ATOM 1187 N VAL A 74 4.877 4.839 -1.646 1.00 0.65 N ATOM 1188 CA VAL A 74 4.324 5.860 -2.565 1.00 0.67 C ATOM 1189 C VAL A 74 2.914 5.526 -3.048 1.00 0.67 C ATOM 1190 O VAL A 74 2.145 6.449 -3.281 1.00 0.71 O ATOM 1191 CB VAL A 74 5.183 6.170 -3.808 1.00 0.71 C ATOM 1192 CG1 VAL A 74 6.537 6.746 -3.415 1.00 0.79 C ATOM 1193 CG2 VAL A 74 5.363 5.030 -4.812 1.00 0.73 C ATOM 0 H VAL A 74 5.633 4.280 -2.042 1.00 0.65 H new ATOM 0 HA VAL A 74 4.315 6.749 -1.934 1.00 0.67 H new ATOM 0 HB VAL A 74 4.593 6.915 -4.342 1.00 0.71 H new ATOM 0 HG11 VAL A 74 7.119 6.954 -4.313 1.00 0.79 H new ATOM 0 HG12 VAL A 74 6.391 7.670 -2.856 1.00 0.79 H new ATOM 0 HG13 VAL A 74 7.072 6.027 -2.795 1.00 0.79 H new ATOM 0 HG21 VAL A 74 5.985 5.370 -5.640 1.00 0.73 H new ATOM 0 HG22 VAL A 74 5.844 4.185 -4.320 1.00 0.73 H new ATOM 0 HG23 VAL A 74 4.389 4.722 -5.192 1.00 0.73 H new ATOM 1203 N PHE A 75 2.571 4.244 -3.190 1.00 0.65 N ATOM 1204 CA PHE A 75 1.267 3.761 -3.633 1.00 0.61 C ATOM 1205 C PHE A 75 0.246 3.953 -2.518 1.00 0.58 C ATOM 1206 O PHE A 75 -0.792 4.556 -2.766 1.00 0.58 O ATOM 1207 CB PHE A 75 1.423 2.299 -4.063 1.00 0.61 C ATOM 1208 CG PHE A 75 0.295 1.697 -4.868 1.00 0.55 C ATOM 1209 CD1 PHE A 75 -0.973 1.489 -4.296 1.00 1.61 C ATOM 1210 CD2 PHE A 75 0.543 1.280 -6.187 1.00 1.97 C ATOM 1211 CE1 PHE A 75 -1.979 0.850 -5.034 1.00 1.59 C ATOM 1212 CE2 PHE A 75 -0.464 0.638 -6.923 1.00 1.99 C ATOM 1213 CZ PHE A 75 -1.724 0.413 -6.350 1.00 0.56 C ATOM 0 H PHE A 75 3.223 3.485 -2.991 1.00 0.65 H new ATOM 0 HA PHE A 75 0.898 4.326 -4.489 1.00 0.61 H new ATOM 0 HB2 PHE A 75 2.339 2.214 -4.647 1.00 0.61 H new ATOM 0 HB3 PHE A 75 1.559 1.695 -3.166 1.00 0.61 H new ATOM 0 HD1 PHE A 75 -1.172 1.822 -3.288 1.00 1.61 H new ATOM 0 HD2 PHE A 75 1.510 1.454 -6.635 1.00 1.97 H new ATOM 0 HE1 PHE A 75 -2.952 0.692 -4.593 1.00 1.59 H new ATOM 0 HE2 PHE A 75 -0.268 0.316 -7.935 1.00 1.99 H new ATOM 0 HZ PHE A 75 -2.495 -0.092 -6.913 1.00 0.56 H new ATOM 1223 N LEU A 76 0.558 3.555 -1.275 1.00 0.57 N ATOM 1224 CA LEU A 76 -0.284 3.843 -0.106 1.00 0.57 C ATOM 1225 C LEU A 76 -0.495 5.347 0.091 1.00 0.59 C ATOM 1226 O LEU A 76 -1.638 5.772 0.266 1.00 0.63 O ATOM 1227 CB LEU A 76 0.349 3.238 1.157 1.00 0.57 C ATOM 1228 CG LEU A 76 0.236 1.706 1.290 1.00 0.61 C ATOM 1229 CD1 LEU A 76 1.038 1.302 2.533 1.00 0.94 C ATOM 1230 CD2 LEU A 76 -1.218 1.231 1.418 1.00 0.73 C ATOM 0 H LEU A 76 1.401 3.025 -1.053 1.00 0.57 H new ATOM 0 HA LEU A 76 -1.260 3.391 -0.284 1.00 0.57 H new ATOM 0 HB2 LEU A 76 1.404 3.510 1.179 1.00 0.57 H new ATOM 0 HB3 LEU A 76 -0.116 3.696 2.030 1.00 0.57 H new ATOM 0 HG LEU A 76 0.628 1.236 0.388 1.00 0.61 H new ATOM 0 HD11 LEU A 76 0.985 0.221 2.665 1.00 0.94 H new ATOM 0 HD12 LEU A 76 2.079 1.601 2.408 1.00 0.94 H new ATOM 0 HD13 LEU A 76 0.622 1.796 3.411 1.00 0.94 H new ATOM 0 HD21 LEU A 76 -1.239 0.145 1.509 1.00 0.73 H new ATOM 0 HD22 LEU A 76 -1.670 1.678 2.303 1.00 0.73 H new ATOM 0 HD23 LEU A 76 -1.778 1.532 0.533 1.00 0.73 H new ATOM 1242 N THR A 77 0.574 6.151 -0.013 1.00 0.59 N ATOM 1243 CA THR A 77 0.509 7.620 0.077 1.00 0.63 C ATOM 1244 C THR A 77 -0.379 8.191 -1.025 1.00 0.62 C ATOM 1245 O THR A 77 -1.349 8.881 -0.730 1.00 0.64 O ATOM 1246 CB THR A 77 1.913 8.231 0.033 1.00 0.71 C ATOM 1247 OG1 THR A 77 2.645 7.754 1.133 1.00 0.75 O ATOM 1248 CG2 THR A 77 1.874 9.759 0.105 1.00 0.81 C ATOM 0 H THR A 77 1.519 5.797 -0.164 1.00 0.59 H new ATOM 0 HA THR A 77 0.062 7.885 1.035 1.00 0.63 H new ATOM 0 HB THR A 77 2.376 7.945 -0.911 1.00 0.71 H new ATOM 0 HG1 THR A 77 3.116 6.932 0.881 1.00 0.75 H new ATOM 0 HG21 THR A 77 2.891 10.151 0.071 1.00 0.81 H new ATOM 0 HG22 THR A 77 1.306 10.149 -0.740 1.00 0.81 H new ATOM 0 HG23 THR A 77 1.397 10.067 1.035 1.00 0.81 H new ATOM 1256 N MET A 78 -0.098 7.850 -2.286 1.00 0.66 N ATOM 1257 CA MET A 78 -0.885 8.234 -3.470 1.00 0.66 C ATOM 1258 C MET A 78 -2.365 7.878 -3.322 1.00 0.64 C ATOM 1259 O MET A 78 -3.227 8.677 -3.670 1.00 0.69 O ATOM 1260 CB MET A 78 -0.262 7.533 -4.694 1.00 0.66 C ATOM 1261 CG MET A 78 -0.933 7.807 -6.036 1.00 1.15 C ATOM 1262 SD MET A 78 0.190 7.551 -7.436 1.00 1.20 S ATOM 1263 CE MET A 78 0.355 5.747 -7.391 1.00 1.33 C ATOM 0 H MET A 78 0.713 7.278 -2.523 1.00 0.66 H new ATOM 0 HA MET A 78 -0.852 9.317 -3.592 1.00 0.66 H new ATOM 0 HB2 MET A 78 0.784 7.832 -4.766 1.00 0.66 H new ATOM 0 HB3 MET A 78 -0.275 6.458 -4.517 1.00 0.66 H new ATOM 0 HG2 MET A 78 -1.800 7.155 -6.145 1.00 1.15 H new ATOM 0 HG3 MET A 78 -1.301 8.833 -6.052 1.00 1.15 H new ATOM 0 HE1 MET A 78 1.401 5.481 -7.241 1.00 1.33 H new ATOM 0 HE2 MET A 78 -0.242 5.347 -6.571 1.00 1.33 H new ATOM 0 HE3 MET A 78 0.005 5.326 -8.333 1.00 1.33 H new ATOM 1273 N LEU A 79 -2.647 6.687 -2.796 1.00 0.61 N ATOM 1274 CA LEU A 79 -3.985 6.146 -2.604 1.00 0.65 C ATOM 1275 C LEU A 79 -4.742 6.856 -1.491 1.00 0.69 C ATOM 1276 O LEU A 79 -5.872 7.260 -1.714 1.00 0.79 O ATOM 1277 CB LEU A 79 -3.830 4.640 -2.333 1.00 0.77 C ATOM 1278 CG LEU A 79 -5.147 3.884 -2.140 1.00 0.82 C ATOM 1279 CD1 LEU A 79 -6.124 4.218 -3.263 1.00 1.41 C ATOM 1280 CD2 LEU A 79 -4.848 2.383 -2.107 1.00 1.72 C ATOM 0 H LEU A 79 -1.917 6.049 -2.480 1.00 0.61 H new ATOM 0 HA LEU A 79 -4.587 6.309 -3.498 1.00 0.65 H new ATOM 0 HB2 LEU A 79 -3.287 4.190 -3.164 1.00 0.77 H new ATOM 0 HB3 LEU A 79 -3.217 4.507 -1.442 1.00 0.77 H new ATOM 0 HG LEU A 79 -5.611 4.183 -1.200 1.00 0.82 H new ATOM 0 HD11 LEU A 79 -7.055 3.672 -3.110 1.00 1.41 H new ATOM 0 HD12 LEU A 79 -6.327 5.289 -3.262 1.00 1.41 H new ATOM 0 HD13 LEU A 79 -5.689 3.932 -4.221 1.00 1.41 H new ATOM 0 HD21 LEU A 79 -5.777 1.830 -1.970 1.00 1.72 H new ATOM 0 HD22 LEU A 79 -4.383 2.084 -3.046 1.00 1.72 H new ATOM 0 HD23 LEU A 79 -4.171 2.165 -1.281 1.00 1.72 H new ATOM 1292 N CYS A 80 -4.131 7.064 -0.324 1.00 0.70 N ATOM 1293 CA CYS A 80 -4.721 7.871 0.748 1.00 0.81 C ATOM 1294 C CYS A 80 -5.096 9.276 0.244 1.00 0.90 C ATOM 1295 O CYS A 80 -6.183 9.771 0.518 1.00 1.07 O ATOM 1296 CB CYS A 80 -3.713 7.908 1.907 1.00 0.85 C ATOM 1297 SG CYS A 80 -4.372 8.886 3.289 1.00 1.01 S ATOM 0 H CYS A 80 -3.215 6.679 -0.094 1.00 0.70 H new ATOM 0 HA CYS A 80 -5.654 7.429 1.097 1.00 0.81 H new ATOM 0 HB2 CYS A 80 -3.497 6.893 2.242 1.00 0.85 H new ATOM 0 HB3 CYS A 80 -2.772 8.338 1.565 1.00 0.85 H new ATOM 0 HG CYS A 80 -3.507 8.904 4.259 1.00 1.01 H new ATOM 1303 N MET A 81 -4.230 9.856 -0.589 1.00 0.88 N ATOM 1304 CA MET A 81 -4.397 11.173 -1.215 1.00 0.95 C ATOM 1305 C MET A 81 -5.452 11.201 -2.337 1.00 1.01 C ATOM 1306 O MET A 81 -5.732 12.265 -2.881 1.00 1.16 O ATOM 1307 CB MET A 81 -3.023 11.665 -1.688 1.00 0.99 C ATOM 1308 CG MET A 81 -2.919 13.189 -1.602 1.00 2.06 C ATOM 1309 SD MET A 81 -1.621 13.861 -2.660 1.00 2.83 S ATOM 1310 CE MET A 81 -2.564 13.801 -4.203 1.00 3.92 C ATOM 0 H MET A 81 -3.356 9.404 -0.858 1.00 0.88 H new ATOM 0 HA MET A 81 -4.795 11.858 -0.466 1.00 0.95 H new ATOM 0 HB2 MET A 81 -2.242 11.210 -1.079 1.00 0.99 H new ATOM 0 HB3 MET A 81 -2.853 11.344 -2.716 1.00 0.99 H new ATOM 0 HG2 MET A 81 -3.875 13.630 -1.883 1.00 2.06 H new ATOM 0 HG3 MET A 81 -2.726 13.478 -0.569 1.00 2.06 H new ATOM 0 HE1 MET A 81 -1.927 13.425 -5.004 1.00 3.92 H new ATOM 0 HE2 MET A 81 -3.421 13.139 -4.080 1.00 3.92 H new ATOM 0 HE3 MET A 81 -2.912 14.802 -4.456 1.00 3.92 H new ATOM 1320 N ALA A 82 -6.068 10.067 -2.685 1.00 1.05 N ATOM 1321 CA ALA A 82 -7.132 9.997 -3.688 1.00 1.12 C ATOM 1322 C ALA A 82 -8.541 10.286 -3.116 1.00 1.17 C ATOM 1323 O ALA A 82 -9.517 10.171 -3.850 1.00 1.32 O ATOM 1324 CB ALA A 82 -7.043 8.639 -4.404 1.00 1.18 C ATOM 0 H ALA A 82 -5.838 9.163 -2.273 1.00 1.05 H new ATOM 0 HA ALA A 82 -6.977 10.796 -4.413 1.00 1.12 H new ATOM 0 HB1 ALA A 82 -7.830 8.571 -5.155 1.00 1.18 H new ATOM 0 HB2 ALA A 82 -6.071 8.546 -4.888 1.00 1.18 H new ATOM 0 HB3 ALA A 82 -7.165 7.836 -3.677 1.00 1.18 H new ATOM 1330 N TYR A 83 -8.651 10.610 -1.819 1.00 1.14 N ATOM 1331 CA TYR A 83 -9.921 10.767 -1.077 1.00 1.24 C ATOM 1332 C TYR A 83 -9.748 11.388 0.335 1.00 1.26 C ATOM 1333 O TYR A 83 -10.531 11.101 1.240 1.00 1.72 O ATOM 1334 CB TYR A 83 -10.687 9.422 -1.051 1.00 1.39 C ATOM 1335 CG TYR A 83 -9.864 8.223 -0.609 1.00 1.40 C ATOM 1336 CD1 TYR A 83 -9.604 7.992 0.757 1.00 1.71 C ATOM 1337 CD2 TYR A 83 -9.328 7.344 -1.569 1.00 2.83 C ATOM 1338 CE1 TYR A 83 -8.752 6.945 1.153 1.00 1.61 C ATOM 1339 CE2 TYR A 83 -8.541 6.255 -1.177 1.00 3.11 C ATOM 1340 CZ TYR A 83 -8.201 6.084 0.182 1.00 1.82 C ATOM 1341 OH TYR A 83 -7.316 5.118 0.548 1.00 2.17 O ATOM 0 H TYR A 83 -7.833 10.777 -1.233 1.00 1.14 H new ATOM 0 HA TYR A 83 -10.524 11.497 -1.617 1.00 1.24 H new ATOM 0 HB2 TYR A 83 -11.543 9.522 -0.384 1.00 1.39 H new ATOM 0 HB3 TYR A 83 -11.081 9.226 -2.048 1.00 1.39 H new ATOM 0 HD1 TYR A 83 -10.062 8.623 1.504 1.00 1.71 H new ATOM 0 HD2 TYR A 83 -9.526 7.511 -2.617 1.00 2.83 H new ATOM 0 HE1 TYR A 83 -8.521 6.801 2.198 1.00 1.61 H new ATOM 0 HE2 TYR A 83 -8.194 5.546 -1.914 1.00 3.11 H new ATOM 0 HH TYR A 83 -7.595 4.258 0.169 1.00 2.17 H new ATOM 1351 N ASN A 84 -8.711 12.210 0.559 1.00 1.20 N ATOM 1352 CA ASN A 84 -8.385 12.778 1.880 1.00 1.20 C ATOM 1353 C ASN A 84 -8.910 14.210 2.128 1.00 1.25 C ATOM 1354 O ASN A 84 -8.191 15.065 2.656 1.00 1.53 O ATOM 1355 CB ASN A 84 -6.890 12.595 2.193 1.00 1.36 C ATOM 1356 CG ASN A 84 -5.924 13.392 1.317 1.00 2.75 C ATOM 1357 OD1 ASN A 84 -6.237 13.819 0.218 1.00 4.15 O ATOM 1358 ND2 ASN A 84 -4.695 13.592 1.768 1.00 3.14 N ATOM 0 H ASN A 84 -8.068 12.503 -0.177 1.00 1.20 H new ATOM 0 HA ASN A 84 -8.949 12.198 2.610 1.00 1.20 H new ATOM 0 HB2 ASN A 84 -6.720 12.872 3.233 1.00 1.36 H new ATOM 0 HB3 ASN A 84 -6.646 11.537 2.100 1.00 1.36 H new ATOM 0 HD21 ASN A 84 -4.019 14.100 1.198 1.00 3.14 H new ATOM 0 HD22 ASN A 84 -4.425 13.238 2.686 1.00 3.14 H new ATOM 1365 N ASP A 85 -10.188 14.456 1.827 1.00 1.51 N ATOM 1366 CA ASP A 85 -10.887 15.704 2.168 1.00 1.72 C ATOM 1367 C ASP A 85 -11.047 15.912 3.687 1.00 1.84 C ATOM 1368 O ASP A 85 -11.102 17.049 4.154 1.00 2.06 O ATOM 1369 CB ASP A 85 -12.256 15.746 1.453 1.00 2.41 C ATOM 1370 CG ASP A 85 -13.288 14.726 1.975 1.00 3.74 C ATOM 1371 OD1 ASP A 85 -12.852 13.629 2.396 1.00 4.47 O ATOM 1372 OD2 ASP A 85 -14.499 15.043 1.926 1.00 4.67 O ATOM 0 H ASP A 85 -10.777 13.786 1.333 1.00 1.51 H new ATOM 0 HA ASP A 85 -10.268 16.530 1.818 1.00 1.72 H new ATOM 0 HB2 ASP A 85 -12.673 16.748 1.554 1.00 2.41 H new ATOM 0 HB3 ASP A 85 -12.100 15.572 0.388 1.00 2.41 H new ATOM 1377 N PHE A 86 -11.006 14.818 4.459 1.00 2.01 N ATOM 1378 CA PHE A 86 -10.934 14.762 5.929 1.00 2.48 C ATOM 1379 C PHE A 86 -9.866 15.670 6.575 1.00 2.43 C ATOM 1380 O PHE A 86 -9.932 15.895 7.785 1.00 3.00 O ATOM 1381 CB PHE A 86 -10.698 13.293 6.343 1.00 2.78 C ATOM 1382 CG PHE A 86 -11.952 12.535 6.740 1.00 3.33 C ATOM 1383 CD1 PHE A 86 -12.965 12.287 5.794 1.00 3.78 C ATOM 1384 CD2 PHE A 86 -12.107 12.067 8.061 1.00 4.34 C ATOM 1385 CE1 PHE A 86 -14.120 11.579 6.163 1.00 4.60 C ATOM 1386 CE2 PHE A 86 -13.261 11.351 8.430 1.00 5.09 C ATOM 1387 CZ PHE A 86 -14.271 11.110 7.480 1.00 5.01 C ATOM 0 H PHE A 86 -11.023 13.885 4.048 1.00 2.01 H new ATOM 0 HA PHE A 86 -11.883 15.149 6.300 1.00 2.48 H new ATOM 0 HB2 PHE A 86 -10.220 12.769 5.515 1.00 2.78 H new ATOM 0 HB3 PHE A 86 -9.999 13.273 7.179 1.00 2.78 H new ATOM 0 HD1 PHE A 86 -12.853 12.643 4.780 1.00 3.78 H new ATOM 0 HD2 PHE A 86 -11.337 12.259 8.793 1.00 4.34 H new ATOM 0 HE1 PHE A 86 -14.894 11.394 5.433 1.00 4.60 H new ATOM 0 HE2 PHE A 86 -13.371 10.987 9.441 1.00 5.09 H new ATOM 0 HZ PHE A 86 -15.160 10.566 7.762 1.00 5.01 H new ATOM 1397 N PHE A 87 -8.882 16.182 5.823 1.00 1.96 N ATOM 1398 CA PHE A 87 -7.823 17.060 6.338 1.00 2.17 C ATOM 1399 C PHE A 87 -7.758 18.415 5.615 1.00 2.08 C ATOM 1400 O PHE A 87 -6.726 19.081 5.687 1.00 2.35 O ATOM 1401 CB PHE A 87 -6.467 16.326 6.271 1.00 2.21 C ATOM 1402 CG PHE A 87 -6.512 14.864 6.681 1.00 2.50 C ATOM 1403 CD1 PHE A 87 -6.917 14.487 7.974 1.00 3.64 C ATOM 1404 CD2 PHE A 87 -6.222 13.877 5.727 1.00 3.14 C ATOM 1405 CE1 PHE A 87 -7.075 13.128 8.294 1.00 4.12 C ATOM 1406 CE2 PHE A 87 -6.382 12.517 6.042 1.00 3.65 C ATOM 1407 CZ PHE A 87 -6.828 12.143 7.320 1.00 3.67 C ATOM 0 H PHE A 87 -8.798 15.995 4.824 1.00 1.96 H new ATOM 0 HA PHE A 87 -8.063 17.290 7.376 1.00 2.17 H new ATOM 0 HB2 PHE A 87 -6.085 16.391 5.252 1.00 2.21 H new ATOM 0 HB3 PHE A 87 -5.756 16.847 6.912 1.00 2.21 H new ATOM 0 HD1 PHE A 87 -7.107 15.243 8.722 1.00 3.64 H new ATOM 0 HD2 PHE A 87 -5.874 14.164 4.746 1.00 3.14 H new ATOM 0 HE1 PHE A 87 -7.386 12.840 9.287 1.00 4.12 H new ATOM 0 HE2 PHE A 87 -6.162 11.761 5.303 1.00 3.65 H new ATOM 0 HZ PHE A 87 -6.981 11.100 7.555 1.00 3.67 H new ATOM 1417 N LEU A 88 -8.793 18.826 4.869 1.00 1.91 N ATOM 1418 CA LEU A 88 -8.772 20.064 4.079 1.00 1.88 C ATOM 1419 C LEU A 88 -9.989 20.954 4.350 1.00 2.28 C ATOM 1420 O LEU A 88 -11.056 20.489 4.722 1.00 2.90 O ATOM 1421 CB LEU A 88 -8.586 19.717 2.585 1.00 1.47 C ATOM 1422 CG LEU A 88 -7.128 19.338 2.240 1.00 2.00 C ATOM 1423 CD1 LEU A 88 -7.023 18.653 0.877 1.00 2.51 C ATOM 1424 CD2 LEU A 88 -6.198 20.562 2.189 1.00 2.94 C ATOM 0 H LEU A 88 -9.669 18.309 4.797 1.00 1.91 H new ATOM 0 HA LEU A 88 -7.919 20.667 4.391 1.00 1.88 H new ATOM 0 HB2 LEU A 88 -9.244 18.889 2.324 1.00 1.47 H new ATOM 0 HB3 LEU A 88 -8.889 20.569 1.977 1.00 1.47 H new ATOM 0 HG LEU A 88 -6.820 18.663 3.039 1.00 2.00 H new ATOM 0 HD11 LEU A 88 -5.981 18.404 0.674 1.00 2.51 H new ATOM 0 HD12 LEU A 88 -7.620 17.741 0.881 1.00 2.51 H new ATOM 0 HD13 LEU A 88 -7.393 19.325 0.103 1.00 2.51 H new ATOM 0 HD21 LEU A 88 -5.186 20.240 1.943 1.00 2.94 H new ATOM 0 HD22 LEU A 88 -6.553 21.257 1.428 1.00 2.94 H new ATOM 0 HD23 LEU A 88 -6.195 21.057 3.160 1.00 2.94 H new ATOM 1517 N GLU B 2 -10.466 0.223 12.611 1.00 3.01 N ATOM 1518 CA GLU B 2 -10.457 0.307 11.155 1.00 1.53 C ATOM 1519 C GLU B 2 -9.907 -1.020 10.614 1.00 1.30 C ATOM 1520 O GLU B 2 -10.662 -1.983 10.491 1.00 2.14 O ATOM 1521 CB GLU B 2 -9.742 1.602 10.680 1.00 3.24 C ATOM 1522 CG GLU B 2 -10.411 2.917 11.152 1.00 4.20 C ATOM 1523 CD GLU B 2 -10.458 3.079 12.675 1.00 4.44 C ATOM 1524 OE1 GLU B 2 -9.424 3.332 13.340 1.00 5.40 O ATOM 1525 OE2 GLU B 2 -11.494 2.713 13.278 1.00 4.50 O ATOM 0 HA GLU B 2 -11.457 0.416 10.736 1.00 1.53 H new ATOM 0 HB2 GLU B 2 -8.712 1.585 11.037 1.00 3.24 H new ATOM 0 HB3 GLU B 2 -9.702 1.601 9.591 1.00 3.24 H new ATOM 0 HG2 GLU B 2 -9.872 3.762 10.723 1.00 4.20 H new ATOM 0 HG3 GLU B 2 -11.428 2.956 10.761 1.00 4.20 H new ATOM 1532 N THR B 3 -8.588 -1.073 10.416 1.00 1.13 N ATOM 1533 CA THR B 3 -7.727 -2.191 9.981 1.00 1.04 C ATOM 1534 C THR B 3 -6.269 -1.805 10.333 1.00 0.94 C ATOM 1535 O THR B 3 -6.024 -0.629 10.621 1.00 0.98 O ATOM 1536 CB THR B 3 -7.875 -2.500 8.481 1.00 1.15 C ATOM 1537 OG1 THR B 3 -7.335 -1.432 7.769 1.00 1.26 O ATOM 1538 CG2 THR B 3 -9.275 -2.775 7.940 1.00 1.56 C ATOM 0 H THR B 3 -8.025 -0.237 10.574 1.00 1.13 H new ATOM 0 HA THR B 3 -8.024 -3.105 10.495 1.00 1.04 H new ATOM 0 HB THR B 3 -7.353 -3.448 8.350 1.00 1.15 H new ATOM 0 HG1 THR B 3 -6.526 -1.727 7.301 1.00 1.26 H new ATOM 0 HG21 THR B 3 -9.219 -2.976 6.870 1.00 1.56 H new ATOM 0 HG22 THR B 3 -9.699 -3.640 8.450 1.00 1.56 H new ATOM 0 HG23 THR B 3 -9.909 -1.906 8.113 1.00 1.56 H new ATOM 1546 N PRO B 4 -5.274 -2.717 10.357 1.00 0.99 N ATOM 1547 CA PRO B 4 -3.977 -2.395 10.962 1.00 1.05 C ATOM 1548 C PRO B 4 -3.114 -1.462 10.101 1.00 0.95 C ATOM 1549 O PRO B 4 -2.543 -0.520 10.650 1.00 1.00 O ATOM 1550 CB PRO B 4 -3.296 -3.741 11.218 1.00 1.29 C ATOM 1551 CG PRO B 4 -3.902 -4.651 10.154 1.00 1.32 C ATOM 1552 CD PRO B 4 -5.335 -4.132 10.015 1.00 1.15 C ATOM 0 HA PRO B 4 -4.118 -1.832 11.885 1.00 1.05 H new ATOM 0 HB2 PRO B 4 -2.213 -3.669 11.116 1.00 1.29 H new ATOM 0 HB3 PRO B 4 -3.498 -4.109 12.224 1.00 1.29 H new ATOM 0 HG2 PRO B 4 -3.358 -4.585 9.212 1.00 1.32 H new ATOM 0 HG3 PRO B 4 -3.882 -5.697 10.461 1.00 1.32 H new ATOM 0 HD2 PRO B 4 -5.707 -4.274 9.000 1.00 1.15 H new ATOM 0 HD3 PRO B 4 -6.012 -4.667 10.681 1.00 1.15 H new ATOM 1560 N LEU B 5 -3.031 -1.672 8.779 1.00 0.88 N ATOM 1561 CA LEU B 5 -2.232 -0.808 7.897 1.00 0.82 C ATOM 1562 C LEU B 5 -2.779 0.623 7.838 1.00 0.70 C ATOM 1563 O LEU B 5 -1.990 1.554 7.699 1.00 0.79 O ATOM 1564 CB LEU B 5 -2.122 -1.461 6.511 1.00 0.88 C ATOM 1565 CG LEU B 5 -1.273 -0.720 5.462 1.00 1.00 C ATOM 1566 CD1 LEU B 5 0.166 -0.477 5.942 1.00 1.53 C ATOM 1567 CD2 LEU B 5 -1.263 -1.570 4.182 1.00 1.61 C ATOM 0 H LEU B 5 -3.508 -2.434 8.296 1.00 0.88 H new ATOM 0 HA LEU B 5 -1.228 -0.712 8.310 1.00 0.82 H new ATOM 0 HB2 LEU B 5 -1.708 -2.461 6.638 1.00 0.88 H new ATOM 0 HB3 LEU B 5 -3.129 -1.581 6.111 1.00 0.88 H new ATOM 0 HG LEU B 5 -1.712 0.261 5.282 1.00 1.00 H new ATOM 0 HD11 LEU B 5 0.724 0.048 5.167 1.00 1.53 H new ATOM 0 HD12 LEU B 5 0.150 0.126 6.850 1.00 1.53 H new ATOM 0 HD13 LEU B 5 0.646 -1.433 6.150 1.00 1.53 H new ATOM 0 HD21 LEU B 5 -0.668 -1.070 3.418 1.00 1.61 H new ATOM 0 HD22 LEU B 5 -0.830 -2.547 4.397 1.00 1.61 H new ATOM 0 HD23 LEU B 5 -2.284 -1.697 3.821 1.00 1.61 H new ATOM 1579 N GLU B 6 -4.095 0.798 8.020 1.00 0.68 N ATOM 1580 CA GLU B 6 -4.741 2.105 8.140 1.00 0.71 C ATOM 1581 C GLU B 6 -4.045 2.950 9.201 1.00 0.80 C ATOM 1582 O GLU B 6 -3.586 4.056 8.927 1.00 0.99 O ATOM 1583 CB GLU B 6 -6.221 1.897 8.506 1.00 1.01 C ATOM 1584 CG GLU B 6 -7.093 3.131 8.298 1.00 1.14 C ATOM 1585 CD GLU B 6 -6.875 4.245 9.314 1.00 2.43 C ATOM 1586 OE1 GLU B 6 -7.268 4.048 10.479 1.00 3.48 O ATOM 1587 OE2 GLU B 6 -6.288 5.291 8.981 1.00 3.41 O ATOM 0 H GLU B 6 -4.749 0.019 8.089 1.00 0.68 H new ATOM 0 HA GLU B 6 -4.670 2.634 7.190 1.00 0.71 H new ATOM 0 HB2 GLU B 6 -6.620 1.078 7.908 1.00 1.01 H new ATOM 0 HB3 GLU B 6 -6.286 1.591 9.550 1.00 1.01 H new ATOM 0 HG2 GLU B 6 -6.906 3.527 7.300 1.00 1.14 H new ATOM 0 HG3 GLU B 6 -8.140 2.829 8.330 1.00 1.14 H new ATOM 1594 N LYS B 7 -3.891 2.401 10.410 1.00 0.84 N ATOM 1595 CA LYS B 7 -3.340 3.149 11.550 1.00 0.96 C ATOM 1596 C LYS B 7 -1.946 3.749 11.305 1.00 0.99 C ATOM 1597 O LYS B 7 -1.577 4.728 11.962 1.00 1.13 O ATOM 1598 CB LYS B 7 -3.333 2.312 12.845 1.00 1.17 C ATOM 1599 CG LYS B 7 -4.651 1.635 13.256 1.00 1.22 C ATOM 1600 CD LYS B 7 -5.929 2.454 13.030 1.00 1.88 C ATOM 1601 CE LYS B 7 -5.911 3.887 13.587 1.00 2.98 C ATOM 1602 NZ LYS B 7 -7.037 4.671 13.029 1.00 3.92 N ATOM 0 H LYS B 7 -4.141 1.436 10.627 1.00 0.84 H new ATOM 0 HA LYS B 7 -4.023 3.990 11.670 1.00 0.96 H new ATOM 0 HB2 LYS B 7 -2.574 1.537 12.741 1.00 1.17 H new ATOM 0 HB3 LYS B 7 -3.017 2.959 13.663 1.00 1.17 H new ATOM 0 HG2 LYS B 7 -4.742 0.698 12.706 1.00 1.22 H new ATOM 0 HG3 LYS B 7 -4.590 1.379 14.314 1.00 1.22 H new ATOM 0 HD2 LYS B 7 -6.122 2.503 11.958 1.00 1.88 H new ATOM 0 HD3 LYS B 7 -6.765 1.919 13.480 1.00 1.88 H new ATOM 0 HE2 LYS B 7 -5.980 3.862 14.675 1.00 2.98 H new ATOM 0 HE3 LYS B 7 -4.965 4.369 13.339 1.00 2.98 H new ATOM 0 HZ1 LYS B 7 -6.945 5.665 13.319 1.00 3.92 H new ATOM 0 HZ2 LYS B 7 -7.021 4.610 11.991 1.00 3.92 H new ATOM 0 HZ3 LYS B 7 -7.936 4.288 13.385 1.00 3.92 H new ATOM 1616 N ALA B 8 -1.172 3.193 10.362 1.00 0.93 N ATOM 1617 CA ALA B 8 0.086 3.787 9.923 1.00 0.95 C ATOM 1618 C ALA B 8 -0.132 5.059 9.086 1.00 0.83 C ATOM 1619 O ALA B 8 0.496 6.074 9.369 1.00 0.91 O ATOM 1620 CB ALA B 8 0.892 2.725 9.163 1.00 1.04 C ATOM 0 H ALA B 8 -1.405 2.321 9.887 1.00 0.93 H new ATOM 0 HA ALA B 8 0.653 4.109 10.797 1.00 0.95 H new ATOM 0 HB1 ALA B 8 1.836 3.155 8.828 1.00 1.04 H new ATOM 0 HB2 ALA B 8 1.092 1.880 9.821 1.00 1.04 H new ATOM 0 HB3 ALA B 8 0.322 2.385 8.299 1.00 1.04 H new ATOM 1626 N LEU B 9 -1.066 5.045 8.128 1.00 0.73 N ATOM 1627 CA LEU B 9 -1.465 6.229 7.352 1.00 0.68 C ATOM 1628 C LEU B 9 -2.106 7.291 8.253 1.00 0.63 C ATOM 1629 O LEU B 9 -1.743 8.468 8.131 1.00 0.68 O ATOM 1630 CB LEU B 9 -2.412 5.843 6.192 1.00 0.65 C ATOM 1631 CG LEU B 9 -1.793 5.185 4.936 1.00 0.60 C ATOM 1632 CD1 LEU B 9 -0.692 6.050 4.305 1.00 0.67 C ATOM 1633 CD2 LEU B 9 -1.277 3.764 5.190 1.00 0.62 C ATOM 0 H LEU B 9 -1.574 4.200 7.865 1.00 0.73 H new ATOM 0 HA LEU B 9 -0.562 6.659 6.918 1.00 0.68 H new ATOM 0 HB2 LEU B 9 -3.165 5.162 6.589 1.00 0.65 H new ATOM 0 HB3 LEU B 9 -2.934 6.745 5.873 1.00 0.65 H new ATOM 0 HG LEU B 9 -2.614 5.108 4.224 1.00 0.60 H new ATOM 0 HD11 LEU B 9 -0.290 5.544 3.427 1.00 0.67 H new ATOM 0 HD12 LEU B 9 -1.110 7.012 4.009 1.00 0.67 H new ATOM 0 HD13 LEU B 9 0.106 6.209 5.030 1.00 0.67 H new ATOM 0 HD21 LEU B 9 -0.856 3.360 4.270 1.00 0.62 H new ATOM 0 HD22 LEU B 9 -0.507 3.789 5.961 1.00 0.62 H new ATOM 0 HD23 LEU B 9 -2.101 3.131 5.520 1.00 0.62 H new ATOM 1645 N THR B 10 -2.979 6.909 9.207 1.00 0.63 N ATOM 1646 CA THR B 10 -3.505 7.881 10.182 1.00 0.69 C ATOM 1647 C THR B 10 -2.449 8.470 11.096 1.00 0.66 C ATOM 1648 O THR B 10 -2.507 9.677 11.320 1.00 0.65 O ATOM 1649 CB THR B 10 -4.723 7.429 10.991 1.00 0.90 C ATOM 1650 OG1 THR B 10 -4.917 6.046 11.010 1.00 1.40 O ATOM 1651 CG2 THR B 10 -5.944 8.100 10.378 1.00 1.93 C ATOM 0 H THR B 10 -3.327 5.957 9.321 1.00 0.63 H new ATOM 0 HA THR B 10 -3.865 8.673 9.525 1.00 0.69 H new ATOM 0 HB THR B 10 -4.559 7.716 12.029 1.00 0.90 H new ATOM 0 HG1 THR B 10 -5.132 5.733 10.106 1.00 1.40 H new ATOM 0 HG21 THR B 10 -6.837 7.803 10.928 1.00 1.93 H new ATOM 0 HG22 THR B 10 -5.829 9.183 10.431 1.00 1.93 H new ATOM 0 HG23 THR B 10 -6.042 7.796 9.336 1.00 1.93 H new ATOM 1659 N THR B 11 -1.445 7.703 11.547 1.00 0.71 N ATOM 1660 CA THR B 11 -0.258 8.266 12.228 1.00 0.81 C ATOM 1661 C THR B 11 0.400 9.327 11.357 1.00 0.81 C ATOM 1662 O THR B 11 0.660 10.418 11.858 1.00 0.83 O ATOM 1663 CB THR B 11 0.752 7.174 12.610 1.00 1.04 C ATOM 1664 OG1 THR B 11 0.130 6.257 13.480 1.00 1.15 O ATOM 1665 CG2 THR B 11 1.970 7.719 13.359 1.00 1.29 C ATOM 0 H THR B 11 -1.427 6.687 11.454 1.00 0.71 H new ATOM 0 HA THR B 11 -0.598 8.732 13.153 1.00 0.81 H new ATOM 0 HB THR B 11 1.082 6.721 11.675 1.00 1.04 H new ATOM 0 HG1 THR B 11 -0.490 5.693 12.972 1.00 1.15 H new ATOM 0 HG21 THR B 11 2.646 6.899 13.601 1.00 1.29 H new ATOM 0 HG22 THR B 11 2.489 8.444 12.731 1.00 1.29 H new ATOM 0 HG23 THR B 11 1.644 8.204 14.279 1.00 1.29 H new ATOM 1673 N MET B 12 0.578 9.052 10.063 1.00 0.85 N ATOM 1674 CA MET B 12 1.398 9.896 9.176 1.00 0.86 C ATOM 1675 C MET B 12 0.740 11.251 8.886 1.00 0.89 C ATOM 1676 O MET B 12 1.429 12.268 8.839 1.00 1.03 O ATOM 1677 CB MET B 12 1.719 9.147 7.870 1.00 0.87 C ATOM 1678 CG MET B 12 2.805 8.084 8.076 1.00 0.86 C ATOM 1679 SD MET B 12 2.981 6.922 6.692 1.00 0.91 S ATOM 1680 CE MET B 12 4.760 6.607 6.770 1.00 0.68 C ATOM 0 H MET B 12 0.163 8.245 9.598 1.00 0.85 H new ATOM 0 HA MET B 12 2.331 10.107 9.699 1.00 0.86 H new ATOM 0 HB2 MET B 12 0.814 8.673 7.491 1.00 0.87 H new ATOM 0 HB3 MET B 12 2.047 9.860 7.113 1.00 0.87 H new ATOM 0 HG2 MET B 12 3.760 8.583 8.240 1.00 0.86 H new ATOM 0 HG3 MET B 12 2.580 7.521 8.982 1.00 0.86 H new ATOM 0 HE1 MET B 12 4.969 5.606 6.393 1.00 0.68 H new ATOM 0 HE2 MET B 12 5.287 7.341 6.161 1.00 0.68 H new ATOM 0 HE3 MET B 12 5.098 6.684 7.803 1.00 0.68 H new ATOM 1690 N VAL B 13 -0.585 11.275 8.730 1.00 0.83 N ATOM 1691 CA VAL B 13 -1.347 12.538 8.643 1.00 0.86 C ATOM 1692 C VAL B 13 -1.485 13.236 10.011 1.00 0.78 C ATOM 1693 O VAL B 13 -1.451 14.466 10.070 1.00 0.87 O ATOM 1694 CB VAL B 13 -2.725 12.360 7.957 1.00 0.93 C ATOM 1695 CG1 VAL B 13 -2.592 11.791 6.533 1.00 1.03 C ATOM 1696 CG2 VAL B 13 -3.649 11.451 8.774 1.00 0.85 C ATOM 0 H VAL B 13 -1.161 10.436 8.660 1.00 0.83 H new ATOM 0 HA VAL B 13 -0.758 13.195 8.003 1.00 0.86 H new ATOM 0 HB VAL B 13 -3.163 13.356 7.897 1.00 0.93 H new ATOM 0 HG11 VAL B 13 -3.582 11.683 6.090 1.00 1.03 H new ATOM 0 HG12 VAL B 13 -1.995 12.470 5.924 1.00 1.03 H new ATOM 0 HG13 VAL B 13 -2.105 10.817 6.574 1.00 1.03 H new ATOM 0 HG21 VAL B 13 -4.606 11.350 8.262 1.00 0.85 H new ATOM 0 HG22 VAL B 13 -3.190 10.468 8.883 1.00 0.85 H new ATOM 0 HG23 VAL B 13 -3.810 11.887 9.760 1.00 0.85 H new ATOM 1706 N THR B 14 -1.579 12.477 11.117 1.00 0.70 N ATOM 1707 CA THR B 14 -1.714 13.001 12.495 1.00 0.69 C ATOM 1708 C THR B 14 -0.448 13.710 12.964 1.00 0.71 C ATOM 1709 O THR B 14 -0.550 14.620 13.797 1.00 0.99 O ATOM 1710 CB THR B 14 -2.102 11.870 13.460 1.00 0.68 C ATOM 1711 OG1 THR B 14 -3.385 11.423 13.103 1.00 0.88 O ATOM 1712 CG2 THR B 14 -2.202 12.290 14.924 1.00 1.09 C ATOM 0 H THR B 14 -1.563 11.458 11.081 1.00 0.70 H new ATOM 0 HA THR B 14 -2.510 13.745 12.489 1.00 0.69 H new ATOM 0 HB THR B 14 -1.316 11.120 13.377 1.00 0.68 H new ATOM 0 HG1 THR B 14 -3.309 10.618 12.549 1.00 0.88 H new ATOM 0 HG21 THR B 14 -2.480 11.429 15.531 1.00 1.09 H new ATOM 0 HG22 THR B 14 -1.238 12.674 15.259 1.00 1.09 H new ATOM 0 HG23 THR B 14 -2.959 13.068 15.029 1.00 1.09 H new ATOM 1720 N THR B 15 0.726 13.315 12.464 1.00 0.72 N ATOM 1721 CA THR B 15 1.990 14.020 12.684 1.00 0.82 C ATOM 1722 C THR B 15 2.170 15.146 11.673 1.00 0.85 C ATOM 1723 O THR B 15 2.139 16.297 12.095 1.00 1.08 O ATOM 1724 CB THR B 15 3.160 13.040 12.687 1.00 0.97 C ATOM 1725 OG1 THR B 15 3.086 12.178 11.586 1.00 1.85 O ATOM 1726 CG2 THR B 15 3.133 12.212 13.970 1.00 0.95 C ATOM 0 H THR B 15 0.826 12.481 11.885 1.00 0.72 H new ATOM 0 HA THR B 15 1.964 14.487 13.669 1.00 0.82 H new ATOM 0 HB THR B 15 4.087 13.611 12.630 1.00 0.97 H new ATOM 0 HG1 THR B 15 3.981 11.840 11.374 1.00 1.85 H new ATOM 0 HG21 THR B 15 3.969 11.513 13.970 1.00 0.95 H new ATOM 0 HG22 THR B 15 3.214 12.874 14.832 1.00 0.95 H new ATOM 0 HG23 THR B 15 2.196 11.657 14.025 1.00 0.95 H new ATOM 1734 N PHE B 16 2.251 14.869 10.370 1.00 0.81 N ATOM 1735 CA PHE B 16 2.546 15.866 9.320 1.00 0.83 C ATOM 1736 C PHE B 16 1.632 17.104 9.358 1.00 0.82 C ATOM 1737 O PHE B 16 2.095 18.229 9.150 1.00 0.91 O ATOM 1738 CB PHE B 16 2.465 15.167 7.956 1.00 0.88 C ATOM 1739 CG PHE B 16 2.867 15.986 6.738 1.00 0.93 C ATOM 1740 CD1 PHE B 16 2.007 16.979 6.225 1.00 2.10 C ATOM 1741 CD2 PHE B 16 4.074 15.707 6.068 1.00 2.21 C ATOM 1742 CE1 PHE B 16 2.344 17.671 5.051 1.00 2.09 C ATOM 1743 CE2 PHE B 16 4.388 16.367 4.862 1.00 2.26 C ATOM 1744 CZ PHE B 16 3.516 17.339 4.348 1.00 1.02 C ATOM 0 H PHE B 16 2.112 13.929 10.000 1.00 0.81 H new ATOM 0 HA PHE B 16 3.549 16.252 9.502 1.00 0.83 H new ATOM 0 HB2 PHE B 16 3.097 14.279 7.992 1.00 0.88 H new ATOM 0 HB3 PHE B 16 1.441 14.824 7.811 1.00 0.88 H new ATOM 0 HD1 PHE B 16 1.085 17.208 6.738 1.00 2.10 H new ATOM 0 HD2 PHE B 16 4.762 14.984 6.480 1.00 2.21 H new ATOM 0 HE1 PHE B 16 1.702 18.460 4.687 1.00 2.09 H new ATOM 0 HE2 PHE B 16 5.299 16.125 4.334 1.00 2.26 H new ATOM 0 HZ PHE B 16 3.744 17.831 3.414 1.00 1.02 H new ATOM 1754 N HIS B 17 0.340 16.936 9.659 1.00 0.79 N ATOM 1755 CA HIS B 17 -0.604 18.056 9.769 1.00 0.81 C ATOM 1756 C HIS B 17 -0.175 19.095 10.827 1.00 0.97 C ATOM 1757 O HIS B 17 -0.392 20.295 10.665 1.00 1.17 O ATOM 1758 CB HIS B 17 -2.005 17.506 10.068 1.00 0.76 C ATOM 1759 CG HIS B 17 -3.069 18.574 10.080 1.00 1.14 C ATOM 1760 ND1 HIS B 17 -3.430 19.363 11.148 1.00 2.08 N ATOM 1761 CD2 HIS B 17 -3.839 18.964 9.017 1.00 1.23 C ATOM 1762 CE1 HIS B 17 -4.391 20.205 10.743 1.00 2.40 C ATOM 1763 NE2 HIS B 17 -4.669 20.000 9.447 1.00 1.84 N ATOM 0 H HIS B 17 -0.081 16.023 9.833 1.00 0.79 H new ATOM 0 HA HIS B 17 -0.613 18.586 8.816 1.00 0.81 H new ATOM 0 HB2 HIS B 17 -2.261 16.755 9.321 1.00 0.76 H new ATOM 0 HB3 HIS B 17 -1.993 17.003 11.035 1.00 0.76 H new ATOM 0 HD1 HIS B 17 -3.034 19.315 12.087 1.00 2.08 H new ATOM 0 HD2 HIS B 17 -3.809 18.544 8.022 1.00 1.23 H new ATOM 0 HE1 HIS B 17 -4.872 20.942 11.369 1.00 2.40 H new ATOM 1772 N LYS B 18 0.474 18.671 11.916 1.00 0.96 N ATOM 1773 CA LYS B 18 0.893 19.542 13.024 1.00 1.03 C ATOM 1774 C LYS B 18 1.881 20.631 12.578 1.00 1.08 C ATOM 1775 O LYS B 18 1.971 21.669 13.229 1.00 1.30 O ATOM 1776 CB LYS B 18 1.538 18.672 14.123 1.00 1.12 C ATOM 1777 CG LYS B 18 0.645 17.549 14.672 1.00 1.75 C ATOM 1778 CD LYS B 18 -0.102 17.995 15.931 1.00 3.08 C ATOM 1779 CE LYS B 18 -1.239 17.035 16.318 1.00 4.72 C ATOM 1780 NZ LYS B 18 -0.801 15.618 16.390 1.00 5.51 N ATOM 0 H LYS B 18 0.729 17.693 12.057 1.00 0.96 H new ATOM 0 HA LYS B 18 0.007 20.053 13.402 1.00 1.03 H new ATOM 0 HB2 LYS B 18 2.450 18.228 13.725 1.00 1.12 H new ATOM 0 HB3 LYS B 18 1.833 19.318 14.950 1.00 1.12 H new ATOM 0 HG2 LYS B 18 -0.073 17.247 13.909 1.00 1.75 H new ATOM 0 HG3 LYS B 18 1.255 16.675 14.900 1.00 1.75 H new ATOM 0 HD2 LYS B 18 0.603 18.070 16.759 1.00 3.08 H new ATOM 0 HD3 LYS B 18 -0.512 18.992 15.771 1.00 3.08 H new ATOM 0 HE2 LYS B 18 -1.646 17.333 17.284 1.00 4.72 H new ATOM 0 HE3 LYS B 18 -2.046 17.124 15.591 1.00 4.72 H new ATOM 0 HZ1 LYS B 18 -1.542 15.048 16.846 1.00 5.51 H new ATOM 0 HZ2 LYS B 18 -0.630 15.258 15.429 1.00 5.51 H new ATOM 0 HZ3 LYS B 18 0.076 15.554 16.945 1.00 5.51 H new ATOM 1794 N TYR B 19 2.606 20.380 11.483 1.00 0.96 N ATOM 1795 CA TYR B 19 3.692 21.197 10.951 1.00 0.96 C ATOM 1796 C TYR B 19 3.292 21.881 9.620 1.00 1.08 C ATOM 1797 O TYR B 19 4.137 22.429 8.925 1.00 1.70 O ATOM 1798 CB TYR B 19 4.903 20.260 10.790 1.00 0.87 C ATOM 1799 CG TYR B 19 5.362 19.559 12.061 1.00 0.79 C ATOM 1800 CD1 TYR B 19 4.748 18.351 12.449 1.00 1.73 C ATOM 1801 CD2 TYR B 19 6.408 20.083 12.848 1.00 2.03 C ATOM 1802 CE1 TYR B 19 5.167 17.670 13.603 1.00 1.81 C ATOM 1803 CE2 TYR B 19 6.816 19.419 14.022 1.00 2.00 C ATOM 1804 CZ TYR B 19 6.183 18.216 14.404 1.00 0.87 C ATOM 1805 OH TYR B 19 6.536 17.587 15.554 1.00 1.01 O ATOM 0 H TYR B 19 2.437 19.551 10.913 1.00 0.96 H new ATOM 0 HA TYR B 19 3.935 22.017 11.627 1.00 0.96 H new ATOM 0 HB2 TYR B 19 4.658 19.502 10.046 1.00 0.87 H new ATOM 0 HB3 TYR B 19 5.737 20.838 10.393 1.00 0.87 H new ATOM 0 HD1 TYR B 19 3.946 17.944 11.851 1.00 1.73 H new ATOM 0 HD2 TYR B 19 6.899 20.998 12.550 1.00 2.03 H new ATOM 0 HE1 TYR B 19 4.710 16.730 13.874 1.00 1.81 H new ATOM 0 HE2 TYR B 19 7.611 19.829 14.628 1.00 2.00 H new ATOM 0 HH TYR B 19 6.388 16.623 15.458 1.00 1.01 H new ATOM 1815 N SER B 20 2.009 21.814 9.239 1.00 1.27 N ATOM 1816 CA SER B 20 1.468 22.325 7.963 1.00 1.20 C ATOM 1817 C SER B 20 0.086 22.982 8.132 1.00 1.24 C ATOM 1818 O SER B 20 -0.133 24.122 7.729 1.00 1.75 O ATOM 1819 CB SER B 20 1.369 21.163 6.961 1.00 1.17 C ATOM 1820 OG SER B 20 0.724 20.027 7.523 1.00 1.37 O ATOM 0 H SER B 20 1.292 21.389 9.827 1.00 1.27 H new ATOM 0 HA SER B 20 2.147 23.094 7.596 1.00 1.20 H new ATOM 0 HB2 SER B 20 0.820 21.491 6.078 1.00 1.17 H new ATOM 0 HB3 SER B 20 2.369 20.885 6.629 1.00 1.17 H new ATOM 0 HG SER B 20 1.367 19.518 8.060 1.00 1.37 H new ATOM 1826 N GLY B 21 -0.845 22.322 8.827 1.00 1.21 N ATOM 1827 CA GLY B 21 -2.178 22.845 9.160 1.00 1.54 C ATOM 1828 C GLY B 21 -2.192 23.942 10.223 1.00 1.79 C ATOM 1829 O GLY B 21 -3.223 24.566 10.427 1.00 2.39 O ATOM 0 H GLY B 21 -0.689 21.380 9.186 1.00 1.21 H new ATOM 0 HA2 GLY B 21 -2.637 23.234 8.251 1.00 1.54 H new ATOM 0 HA3 GLY B 21 -2.801 22.019 9.503 1.00 1.54 H new ATOM 1832 N ARG B 22 -1.037 24.220 10.841 1.00 1.77 N ATOM 1833 CA ARG B 22 -0.743 25.495 11.506 1.00 2.13 C ATOM 1834 C ARG B 22 -0.819 26.682 10.527 1.00 2.32 C ATOM 1835 O ARG B 22 -1.322 27.742 10.881 1.00 2.88 O ATOM 1836 CB ARG B 22 0.702 25.458 12.022 1.00 2.15 C ATOM 1837 CG ARG B 22 0.921 24.986 13.469 1.00 2.73 C ATOM 1838 CD ARG B 22 2.427 24.917 13.806 1.00 2.54 C ATOM 1839 NE ARG B 22 3.175 26.062 13.256 1.00 2.58 N ATOM 1840 CZ ARG B 22 3.073 27.335 13.601 1.00 3.80 C ATOM 1841 NH1 ARG B 22 2.664 27.713 14.795 1.00 4.87 N ATOM 1842 NH2 ARG B 22 3.343 28.249 12.701 1.00 4.64 N ATOM 0 H ARG B 22 -0.267 23.553 10.894 1.00 1.77 H new ATOM 0 HA ARG B 22 -1.476 25.624 12.303 1.00 2.13 H new ATOM 0 HB2 ARG B 22 1.279 24.808 11.364 1.00 2.15 H new ATOM 0 HB3 ARG B 22 1.120 26.460 11.927 1.00 2.15 H new ATOM 0 HG2 ARG B 22 0.421 25.668 14.157 1.00 2.73 H new ATOM 0 HG3 ARG B 22 0.468 24.004 13.608 1.00 2.73 H new ATOM 0 HD2 ARG B 22 2.554 24.888 14.888 1.00 2.54 H new ATOM 0 HD3 ARG B 22 2.844 23.990 13.412 1.00 2.54 H new ATOM 0 HE ARG B 22 3.851 25.847 12.523 1.00 2.58 H new ATOM 0 HH11 ARG B 22 2.412 27.013 15.493 1.00 4.87 H new ATOM 0 HH12 ARG B 22 2.599 28.705 15.021 1.00 4.87 H new ATOM 0 HH21 ARG B 22 3.624 27.971 11.761 1.00 4.64 H new ATOM 0 HH22 ARG B 22 3.272 29.238 12.941 1.00 4.64 H new ATOM 1856 N GLU B 23 -0.234 26.489 9.341 1.00 2.00 N ATOM 1857 CA GLU B 23 0.036 27.517 8.332 1.00 2.24 C ATOM 1858 C GLU B 23 -1.103 27.598 7.296 1.00 2.47 C ATOM 1859 O GLU B 23 -1.416 28.666 6.782 1.00 3.38 O ATOM 1860 CB GLU B 23 1.363 27.213 7.597 1.00 2.57 C ATOM 1861 CG GLU B 23 2.486 26.448 8.333 1.00 3.55 C ATOM 1862 CD GLU B 23 2.920 26.993 9.696 1.00 4.17 C ATOM 1863 OE1 GLU B 23 2.791 28.199 9.977 1.00 4.67 O ATOM 1864 OE2 GLU B 23 3.350 26.179 10.543 1.00 5.08 O ATOM 0 H GLU B 23 0.080 25.565 9.044 1.00 2.00 H new ATOM 0 HA GLU B 23 0.110 28.473 8.850 1.00 2.24 H new ATOM 0 HB2 GLU B 23 1.116 26.646 6.700 1.00 2.57 H new ATOM 0 HB3 GLU B 23 1.779 28.165 7.268 1.00 2.57 H new ATOM 0 HG2 GLU B 23 2.161 25.417 8.469 1.00 3.55 H new ATOM 0 HG3 GLU B 23 3.361 26.424 7.684 1.00 3.55 H new ATOM 1871 N GLY B 24 -1.736 26.447 7.019 1.00 2.99 N ATOM 1872 CA GLY B 24 -2.998 26.292 6.277 1.00 3.61 C ATOM 1873 C GLY B 24 -2.924 25.341 5.080 1.00 2.73 C ATOM 1874 O GLY B 24 -3.950 24.825 4.632 1.00 3.38 O ATOM 0 H GLY B 24 -1.360 25.549 7.324 1.00 2.99 H new ATOM 0 HA2 GLY B 24 -3.765 25.932 6.963 1.00 3.61 H new ATOM 0 HA3 GLY B 24 -3.320 27.272 5.925 1.00 3.61 H new ATOM 1877 N SER B 25 -1.721 25.068 4.573 1.00 1.83 N ATOM 1878 CA SER B 25 -1.442 24.221 3.402 1.00 1.38 C ATOM 1879 C SER B 25 -1.431 22.725 3.758 1.00 1.36 C ATOM 1880 O SER B 25 -0.397 22.078 3.763 1.00 1.87 O ATOM 1881 CB SER B 25 -0.105 24.657 2.767 1.00 2.04 C ATOM 1882 OG SER B 25 0.960 24.623 3.699 1.00 3.54 O ATOM 0 H SER B 25 -0.869 25.448 4.985 1.00 1.83 H new ATOM 0 HA SER B 25 -2.246 24.356 2.679 1.00 1.38 H new ATOM 0 HB2 SER B 25 0.128 24.003 1.927 1.00 2.04 H new ATOM 0 HB3 SER B 25 -0.205 25.666 2.368 1.00 2.04 H new ATOM 0 HG SER B 25 1.480 23.802 3.572 1.00 3.54 H new ATOM 1888 N LYS B 26 -2.573 22.123 4.106 1.00 1.18 N ATOM 1889 CA LYS B 26 -2.587 20.934 4.982 1.00 1.14 C ATOM 1890 C LYS B 26 -1.959 19.632 4.402 1.00 1.09 C ATOM 1891 O LYS B 26 -1.865 18.637 5.122 1.00 1.21 O ATOM 1892 CB LYS B 26 -4.028 20.769 5.516 1.00 1.25 C ATOM 1893 CG LYS B 26 -4.356 21.870 6.551 1.00 1.39 C ATOM 1894 CD LYS B 26 -5.832 22.020 6.956 1.00 1.59 C ATOM 1895 CE LYS B 26 -6.743 22.485 5.813 1.00 1.50 C ATOM 1896 NZ LYS B 26 -6.618 23.923 5.474 1.00 2.30 N ATOM 0 H LYS B 26 -3.496 22.432 3.800 1.00 1.18 H new ATOM 0 HA LYS B 26 -1.897 21.117 5.806 1.00 1.14 H new ATOM 0 HB2 LYS B 26 -4.736 20.818 4.689 1.00 1.25 H new ATOM 0 HB3 LYS B 26 -4.141 19.787 5.974 1.00 1.25 H new ATOM 0 HG2 LYS B 26 -3.774 21.674 7.452 1.00 1.39 H new ATOM 0 HG3 LYS B 26 -4.014 22.825 6.152 1.00 1.39 H new ATOM 0 HD2 LYS B 26 -6.195 21.063 7.331 1.00 1.59 H new ATOM 0 HD3 LYS B 26 -5.903 22.733 7.778 1.00 1.59 H new ATOM 0 HE2 LYS B 26 -6.520 21.894 4.924 1.00 1.50 H new ATOM 0 HE3 LYS B 26 -7.778 22.277 6.083 1.00 1.50 H new ATOM 0 HZ1 LYS B 26 -7.241 24.146 4.672 1.00 2.30 H new ATOM 0 HZ2 LYS B 26 -6.892 24.498 6.296 1.00 2.30 H new ATOM 0 HZ3 LYS B 26 -5.633 24.135 5.216 1.00 2.30 H new ATOM 1910 N LEU B 27 -1.482 19.638 3.145 1.00 1.08 N ATOM 1911 CA LEU B 27 -0.693 18.565 2.514 1.00 1.11 C ATOM 1912 C LEU B 27 0.758 18.939 2.113 1.00 1.02 C ATOM 1913 O LEU B 27 1.527 18.028 1.814 1.00 1.06 O ATOM 1914 CB LEU B 27 -1.460 18.036 1.286 1.00 1.43 C ATOM 1915 CG LEU B 27 -2.875 17.484 1.561 1.00 1.81 C ATOM 1916 CD1 LEU B 27 -3.471 16.986 0.237 1.00 2.13 C ATOM 1917 CD2 LEU B 27 -2.894 16.336 2.582 1.00 2.71 C ATOM 0 H LEU B 27 -1.642 20.424 2.514 1.00 1.08 H new ATOM 0 HA LEU B 27 -0.574 17.800 3.281 1.00 1.11 H new ATOM 0 HB2 LEU B 27 -1.541 18.843 0.557 1.00 1.43 H new ATOM 0 HB3 LEU B 27 -0.867 17.247 0.824 1.00 1.43 H new ATOM 0 HG LEU B 27 -3.462 18.296 1.989 1.00 1.81 H new ATOM 0 HD11 LEU B 27 -4.472 16.592 0.414 1.00 2.13 H new ATOM 0 HD12 LEU B 27 -3.526 17.813 -0.471 1.00 2.13 H new ATOM 0 HD13 LEU B 27 -2.839 16.199 -0.173 1.00 2.13 H new ATOM 0 HD21 LEU B 27 -3.919 15.996 2.728 1.00 2.71 H new ATOM 0 HD22 LEU B 27 -2.287 15.510 2.212 1.00 2.71 H new ATOM 0 HD23 LEU B 27 -2.489 16.687 3.531 1.00 2.71 H new ATOM 1929 N THR B 28 1.160 20.222 2.124 1.00 1.07 N ATOM 1930 CA THR B 28 2.543 20.664 1.832 1.00 1.08 C ATOM 1931 C THR B 28 3.104 21.545 2.944 1.00 1.23 C ATOM 1932 O THR B 28 2.364 22.246 3.637 1.00 1.54 O ATOM 1933 CB THR B 28 2.684 21.353 0.466 1.00 1.09 C ATOM 1934 OG1 THR B 28 1.992 22.580 0.416 1.00 1.30 O ATOM 1935 CG2 THR B 28 2.198 20.474 -0.687 1.00 1.00 C ATOM 0 H THR B 28 0.529 20.994 2.338 1.00 1.07 H new ATOM 0 HA THR B 28 3.138 19.752 1.786 1.00 1.08 H new ATOM 0 HB THR B 28 3.752 21.534 0.348 1.00 1.09 H new ATOM 0 HG1 THR B 28 2.550 23.252 -0.029 1.00 1.30 H new ATOM 0 HG21 THR B 28 2.320 21.009 -1.629 1.00 1.00 H new ATOM 0 HG22 THR B 28 2.782 19.554 -0.714 1.00 1.00 H new ATOM 0 HG23 THR B 28 1.145 20.232 -0.541 1.00 1.00 H new ATOM 1943 N LEU B 29 4.416 21.493 3.167 1.00 1.01 N ATOM 1944 CA LEU B 29 5.051 22.161 4.314 1.00 0.92 C ATOM 1945 C LEU B 29 6.483 22.585 4.016 1.00 0.88 C ATOM 1946 O LEU B 29 7.034 22.226 2.988 1.00 1.04 O ATOM 1947 CB LEU B 29 4.907 21.290 5.584 1.00 0.93 C ATOM 1948 CG LEU B 29 6.048 20.333 5.992 1.00 0.86 C ATOM 1949 CD1 LEU B 29 5.594 19.515 7.210 1.00 1.01 C ATOM 1950 CD2 LEU B 29 6.485 19.363 4.901 1.00 1.05 C ATOM 0 H LEU B 29 5.070 20.992 2.565 1.00 1.01 H new ATOM 0 HA LEU B 29 4.525 23.096 4.509 1.00 0.92 H new ATOM 0 HB2 LEU B 29 4.733 21.964 6.423 1.00 0.93 H new ATOM 0 HB3 LEU B 29 4.005 20.689 5.466 1.00 0.93 H new ATOM 0 HG LEU B 29 6.909 20.966 6.207 1.00 0.86 H new ATOM 0 HD11 LEU B 29 6.391 18.834 7.509 1.00 1.01 H new ATOM 0 HD12 LEU B 29 5.364 20.189 8.035 1.00 1.01 H new ATOM 0 HD13 LEU B 29 4.704 18.941 6.951 1.00 1.01 H new ATOM 0 HD21 LEU B 29 7.290 18.731 5.277 1.00 1.05 H new ATOM 0 HD22 LEU B 29 5.640 18.739 4.609 1.00 1.05 H new ATOM 0 HD23 LEU B 29 6.838 19.924 4.036 1.00 1.05 H new ATOM 1962 N SER B 30 7.124 23.316 4.918 1.00 0.80 N ATOM 1963 CA SER B 30 8.530 23.688 4.780 1.00 0.88 C ATOM 1964 C SER B 30 9.464 22.459 4.855 1.00 0.78 C ATOM 1965 O SER B 30 9.377 21.628 5.763 1.00 0.74 O ATOM 1966 CB SER B 30 8.906 24.758 5.828 1.00 1.14 C ATOM 1967 OG SER B 30 8.043 24.732 6.957 1.00 2.15 O ATOM 0 H SER B 30 6.685 23.669 5.768 1.00 0.80 H new ATOM 0 HA SER B 30 8.668 24.119 3.788 1.00 0.88 H new ATOM 0 HB2 SER B 30 9.934 24.598 6.155 1.00 1.14 H new ATOM 0 HB3 SER B 30 8.868 25.745 5.367 1.00 1.14 H new ATOM 0 HG SER B 30 8.571 24.846 7.775 1.00 2.15 H new ATOM 1973 N ARG B 31 10.455 22.377 3.963 1.00 0.82 N ATOM 1974 CA ARG B 31 11.528 21.373 4.013 1.00 0.81 C ATOM 1975 C ARG B 31 12.347 21.464 5.325 1.00 0.72 C ATOM 1976 O ARG B 31 12.953 20.482 5.755 1.00 0.77 O ATOM 1977 CB ARG B 31 12.346 21.487 2.711 1.00 1.05 C ATOM 1978 CG ARG B 31 13.422 20.405 2.532 1.00 1.60 C ATOM 1979 CD ARG B 31 13.868 20.299 1.051 1.00 1.39 C ATOM 1980 NE ARG B 31 14.316 18.940 0.646 1.00 1.91 N ATOM 1981 CZ ARG B 31 13.651 18.097 -0.155 1.00 2.07 C ATOM 1982 NH1 ARG B 31 12.570 18.461 -0.809 1.00 2.20 N ATOM 1983 NH2 ARG B 31 14.027 16.846 -0.311 1.00 2.83 N ATOM 0 H ARG B 31 10.538 23.016 3.172 1.00 0.82 H new ATOM 0 HA ARG B 31 11.120 20.363 4.052 1.00 0.81 H new ATOM 0 HB2 ARG B 31 11.662 21.444 1.863 1.00 1.05 H new ATOM 0 HB3 ARG B 31 12.826 22.465 2.684 1.00 1.05 H new ATOM 0 HG2 ARG B 31 14.283 20.637 3.158 1.00 1.60 H new ATOM 0 HG3 ARG B 31 13.034 19.443 2.868 1.00 1.60 H new ATOM 0 HD2 ARG B 31 13.039 20.602 0.411 1.00 1.39 H new ATOM 0 HD3 ARG B 31 14.680 21.004 0.876 1.00 1.39 H new ATOM 0 HE ARG B 31 15.213 18.620 1.012 1.00 1.91 H new ATOM 0 HH11 ARG B 31 12.213 19.412 -0.715 1.00 2.20 H new ATOM 0 HH12 ARG B 31 12.089 17.793 -1.411 1.00 2.20 H new ATOM 0 HH21 ARG B 31 14.846 16.494 0.185 1.00 2.83 H new ATOM 0 HH22 ARG B 31 13.500 16.228 -0.928 1.00 2.83 H new ATOM 1997 N LYS B 32 12.296 22.596 6.039 1.00 0.75 N ATOM 1998 CA LYS B 32 12.720 22.733 7.435 1.00 0.80 C ATOM 1999 C LYS B 32 11.809 21.963 8.412 1.00 0.77 C ATOM 2000 O LYS B 32 12.327 21.264 9.287 1.00 0.87 O ATOM 2001 CB LYS B 32 12.830 24.234 7.794 1.00 1.02 C ATOM 2002 CG LYS B 32 13.389 24.474 9.212 1.00 2.11 C ATOM 2003 CD LYS B 32 12.258 24.643 10.234 1.00 3.93 C ATOM 2004 CE LYS B 32 12.649 24.316 11.679 1.00 5.51 C ATOM 2005 NZ LYS B 32 11.454 24.339 12.557 1.00 7.74 N ATOM 0 H LYS B 32 11.946 23.470 5.646 1.00 0.75 H new ATOM 0 HA LYS B 32 13.703 22.275 7.541 1.00 0.80 H new ATOM 0 HB2 LYS B 32 13.473 24.730 7.067 1.00 1.02 H new ATOM 0 HB3 LYS B 32 11.845 24.694 7.715 1.00 1.02 H new ATOM 0 HG2 LYS B 32 14.023 23.636 9.502 1.00 2.11 H new ATOM 0 HG3 LYS B 32 14.018 25.364 9.212 1.00 2.11 H new ATOM 0 HD2 LYS B 32 11.899 25.672 10.193 1.00 3.93 H new ATOM 0 HD3 LYS B 32 11.425 24.003 9.943 1.00 3.93 H new ATOM 0 HE2 LYS B 32 13.120 23.334 11.721 1.00 5.51 H new ATOM 0 HE3 LYS B 32 13.384 25.038 12.036 1.00 5.51 H new ATOM 0 HZ1 LYS B 32 11.663 23.832 13.441 1.00 7.74 H new ATOM 0 HZ2 LYS B 32 11.202 25.324 12.774 1.00 7.74 H new ATOM 0 HZ3 LYS B 32 10.658 23.877 12.072 1.00 7.74 H new ATOM 2019 N GLU B 33 10.490 22.054 8.262 1.00 0.72 N ATOM 2020 CA GLU B 33 9.520 21.360 9.106 1.00 0.74 C ATOM 2021 C GLU B 33 9.649 19.845 8.978 1.00 0.65 C ATOM 2022 O GLU B 33 9.673 19.200 10.016 1.00 0.66 O ATOM 2023 CB GLU B 33 8.088 21.846 8.811 1.00 0.90 C ATOM 2024 CG GLU B 33 7.602 22.948 9.761 1.00 1.06 C ATOM 2025 CD GLU B 33 8.711 23.933 10.119 1.00 1.95 C ATOM 2026 OE1 GLU B 33 9.227 24.614 9.202 1.00 3.31 O ATOM 2027 OE2 GLU B 33 9.164 23.885 11.287 1.00 2.40 O ATOM 0 H GLU B 33 10.056 22.624 7.536 1.00 0.72 H new ATOM 0 HA GLU B 33 9.740 21.607 10.145 1.00 0.74 H new ATOM 0 HB2 GLU B 33 8.043 22.216 7.787 1.00 0.90 H new ATOM 0 HB3 GLU B 33 7.406 20.998 8.874 1.00 0.90 H new ATOM 0 HG2 GLU B 33 6.776 23.487 9.297 1.00 1.06 H new ATOM 0 HG3 GLU B 33 7.214 22.494 10.673 1.00 1.06 H new ATOM 2034 N LEU B 34 9.862 19.273 7.781 1.00 0.60 N ATOM 2035 CA LEU B 34 10.156 17.836 7.656 1.00 0.57 C ATOM 2036 C LEU B 34 11.368 17.414 8.508 1.00 0.53 C ATOM 2037 O LEU B 34 11.327 16.392 9.195 1.00 0.53 O ATOM 2038 CB LEU B 34 10.361 17.431 6.180 1.00 0.65 C ATOM 2039 CG LEU B 34 10.557 15.903 6.050 1.00 0.73 C ATOM 2040 CD1 LEU B 34 9.288 15.134 6.424 1.00 0.99 C ATOM 2041 CD2 LEU B 34 10.984 15.444 4.656 1.00 1.09 C ATOM 0 H LEU B 34 9.837 19.778 6.895 1.00 0.60 H new ATOM 0 HA LEU B 34 9.286 17.304 8.040 1.00 0.57 H new ATOM 0 HB2 LEU B 34 9.499 17.743 5.590 1.00 0.65 H new ATOM 0 HB3 LEU B 34 11.230 17.949 5.774 1.00 0.65 H new ATOM 0 HG LEU B 34 11.365 15.681 6.747 1.00 0.73 H new ATOM 0 HD11 LEU B 34 9.467 14.064 6.320 1.00 0.99 H new ATOM 0 HD12 LEU B 34 9.018 15.358 7.456 1.00 0.99 H new ATOM 0 HD13 LEU B 34 8.474 15.432 5.763 1.00 0.99 H new ATOM 0 HD21 LEU B 34 11.100 14.360 4.649 1.00 1.09 H new ATOM 0 HD22 LEU B 34 10.224 15.732 3.929 1.00 1.09 H new ATOM 0 HD23 LEU B 34 11.933 15.912 4.394 1.00 1.09 H new ATOM 2053 N LYS B 35 12.456 18.192 8.483 1.00 0.57 N ATOM 2054 CA LYS B 35 13.656 17.907 9.279 1.00 0.64 C ATOM 2055 C LYS B 35 13.333 17.847 10.789 1.00 0.62 C ATOM 2056 O LYS B 35 13.882 17.016 11.509 1.00 0.67 O ATOM 2057 CB LYS B 35 14.766 18.921 8.891 1.00 0.83 C ATOM 2058 CG LYS B 35 15.311 19.789 10.042 1.00 1.50 C ATOM 2059 CD LYS B 35 16.523 20.660 9.688 1.00 1.59 C ATOM 2060 CE LYS B 35 16.379 21.427 8.369 1.00 2.94 C ATOM 2061 NZ LYS B 35 17.418 22.475 8.215 1.00 3.74 N ATOM 0 H LYS B 35 12.530 19.034 7.913 1.00 0.57 H new ATOM 0 HA LYS B 35 14.039 16.912 9.051 1.00 0.64 H new ATOM 0 HB2 LYS B 35 15.597 18.371 8.451 1.00 0.83 H new ATOM 0 HB3 LYS B 35 14.375 19.581 8.117 1.00 0.83 H new ATOM 0 HG2 LYS B 35 14.510 20.437 10.397 1.00 1.50 H new ATOM 0 HG3 LYS B 35 15.583 19.135 10.871 1.00 1.50 H new ATOM 0 HD2 LYS B 35 16.692 21.374 10.494 1.00 1.59 H new ATOM 0 HD3 LYS B 35 17.408 20.027 9.633 1.00 1.59 H new ATOM 0 HE2 LYS B 35 16.444 20.728 7.535 1.00 2.94 H new ATOM 0 HE3 LYS B 35 15.392 21.887 8.324 1.00 2.94 H new ATOM 0 HZ1 LYS B 35 17.424 22.816 7.232 1.00 3.74 H new ATOM 0 HZ2 LYS B 35 17.209 23.268 8.855 1.00 3.74 H new ATOM 0 HZ3 LYS B 35 18.350 22.077 8.449 1.00 3.74 H new ATOM 2075 N GLU B 36 12.464 18.742 11.258 1.00 0.61 N ATOM 2076 CA GLU B 36 12.027 18.757 12.646 1.00 0.65 C ATOM 2077 C GLU B 36 11.029 17.630 12.959 1.00 0.60 C ATOM 2078 O GLU B 36 11.254 16.903 13.918 1.00 0.68 O ATOM 2079 CB GLU B 36 11.487 20.146 12.988 1.00 0.78 C ATOM 2080 CG GLU B 36 11.183 20.207 14.490 1.00 1.08 C ATOM 2081 CD GLU B 36 11.140 21.616 15.061 1.00 2.21 C ATOM 2082 OE1 GLU B 36 11.824 22.517 14.529 1.00 3.06 O ATOM 2083 OE2 GLU B 36 10.496 21.730 16.126 1.00 3.25 O ATOM 0 H GLU B 36 12.046 19.474 10.684 1.00 0.61 H new ATOM 0 HA GLU B 36 12.884 18.555 13.289 1.00 0.65 H new ATOM 0 HB2 GLU B 36 12.217 20.910 12.720 1.00 0.78 H new ATOM 0 HB3 GLU B 36 10.584 20.351 12.412 1.00 0.78 H new ATOM 0 HG2 GLU B 36 10.224 19.723 14.675 1.00 1.08 H new ATOM 0 HG3 GLU B 36 11.939 19.633 15.026 1.00 1.08 H new ATOM 2090 N LEU B 37 9.993 17.463 12.131 1.00 0.57 N ATOM 2091 CA LEU B 37 8.941 16.444 12.194 1.00 0.62 C ATOM 2092 C LEU B 37 9.554 15.060 12.423 1.00 0.66 C ATOM 2093 O LEU B 37 9.336 14.482 13.483 1.00 0.66 O ATOM 2094 CB LEU B 37 8.119 16.581 10.890 1.00 0.67 C ATOM 2095 CG LEU B 37 7.136 15.459 10.502 1.00 0.78 C ATOM 2096 CD1 LEU B 37 6.004 15.217 11.499 1.00 1.04 C ATOM 2097 CD2 LEU B 37 6.489 15.786 9.146 1.00 1.32 C ATOM 0 H LEU B 37 9.858 18.087 11.336 1.00 0.57 H new ATOM 0 HA LEU B 37 8.267 16.582 13.039 1.00 0.62 H new ATOM 0 HB2 LEU B 37 7.550 17.508 10.956 1.00 0.67 H new ATOM 0 HB3 LEU B 37 8.825 16.698 10.068 1.00 0.67 H new ATOM 0 HG LEU B 37 7.742 14.554 10.476 1.00 0.78 H new ATOM 0 HD11 LEU B 37 5.367 14.410 11.137 1.00 1.04 H new ATOM 0 HD12 LEU B 37 6.424 14.942 12.467 1.00 1.04 H new ATOM 0 HD13 LEU B 37 5.412 16.126 11.605 1.00 1.04 H new ATOM 0 HD21 LEU B 37 5.794 14.992 8.873 1.00 1.32 H new ATOM 0 HD22 LEU B 37 5.950 16.731 9.218 1.00 1.32 H new ATOM 0 HD23 LEU B 37 7.264 15.868 8.384 1.00 1.32 H new ATOM 2109 N ILE B 38 10.449 14.605 11.542 1.00 0.67 N ATOM 2110 CA ILE B 38 11.082 13.277 11.660 1.00 0.77 C ATOM 2111 C ILE B 38 11.887 13.128 12.965 1.00 0.84 C ATOM 2112 O ILE B 38 12.049 12.029 13.492 1.00 1.04 O ATOM 2113 CB ILE B 38 11.931 13.004 10.392 1.00 0.77 C ATOM 2114 CG1 ILE B 38 11.013 12.995 9.148 1.00 1.13 C ATOM 2115 CG2 ILE B 38 12.721 11.678 10.490 1.00 1.16 C ATOM 2116 CD1 ILE B 38 11.783 12.831 7.840 1.00 1.27 C ATOM 0 H ILE B 38 10.758 15.139 10.729 1.00 0.67 H new ATOM 0 HA ILE B 38 10.304 12.516 11.722 1.00 0.77 H new ATOM 0 HB ILE B 38 12.666 13.804 10.303 1.00 0.77 H new ATOM 0 HG12 ILE B 38 10.291 12.184 9.242 1.00 1.13 H new ATOM 0 HG13 ILE B 38 10.446 13.925 9.115 1.00 1.13 H new ATOM 0 HG21 ILE B 38 13.300 11.531 9.578 1.00 1.16 H new ATOM 0 HG22 ILE B 38 13.395 11.719 11.345 1.00 1.16 H new ATOM 0 HG23 ILE B 38 12.025 10.848 10.615 1.00 1.16 H new ATOM 0 HD11 ILE B 38 11.084 12.832 7.004 1.00 1.27 H new ATOM 0 HD12 ILE B 38 12.487 13.656 7.726 1.00 1.27 H new ATOM 0 HD13 ILE B 38 12.329 11.888 7.855 1.00 1.27 H new ATOM 2128 N LYS B 39 12.440 14.209 13.520 1.00 0.81 N ATOM 2129 CA LYS B 39 13.185 14.242 14.777 1.00 0.90 C ATOM 2130 C LYS B 39 12.333 14.551 16.031 1.00 0.95 C ATOM 2131 O LYS B 39 12.784 14.318 17.149 1.00 1.11 O ATOM 2132 CB LYS B 39 14.308 15.257 14.558 1.00 1.03 C ATOM 2133 CG LYS B 39 15.353 14.844 13.499 1.00 1.52 C ATOM 2134 CD LYS B 39 16.160 13.568 13.813 1.00 1.68 C ATOM 2135 CE LYS B 39 15.768 12.332 12.983 1.00 3.28 C ATOM 2136 NZ LYS B 39 14.782 11.449 13.655 1.00 4.56 N ATOM 0 H LYS B 39 12.376 15.128 13.083 1.00 0.81 H new ATOM 0 HA LYS B 39 13.571 13.248 15.005 1.00 0.90 H new ATOM 0 HB2 LYS B 39 13.867 16.209 14.261 1.00 1.03 H new ATOM 0 HB3 LYS B 39 14.818 15.424 15.507 1.00 1.03 H new ATOM 0 HG2 LYS B 39 14.841 14.702 12.547 1.00 1.52 H new ATOM 0 HG3 LYS B 39 16.052 15.669 13.365 1.00 1.52 H new ATOM 0 HD2 LYS B 39 17.218 13.776 13.651 1.00 1.68 H new ATOM 0 HD3 LYS B 39 16.040 13.331 14.870 1.00 1.68 H new ATOM 0 HE2 LYS B 39 15.356 12.662 12.029 1.00 3.28 H new ATOM 0 HE3 LYS B 39 16.666 11.756 12.760 1.00 3.28 H new ATOM 0 HZ1 LYS B 39 14.941 10.464 13.361 1.00 4.56 H new ATOM 0 HZ2 LYS B 39 14.895 11.525 14.686 1.00 4.56 H new ATOM 0 HZ3 LYS B 39 13.819 11.739 13.390 1.00 4.56 H new ATOM 2150 N LYS B 40 11.086 14.992 15.871 1.00 0.91 N ATOM 2151 CA LYS B 40 10.048 15.025 16.909 1.00 1.04 C ATOM 2152 C LYS B 40 9.265 13.704 16.992 1.00 1.07 C ATOM 2153 O LYS B 40 8.827 13.306 18.064 1.00 1.31 O ATOM 2154 CB LYS B 40 9.090 16.185 16.585 1.00 1.14 C ATOM 2155 CG LYS B 40 9.659 17.592 16.825 1.00 1.36 C ATOM 2156 CD LYS B 40 10.066 17.743 18.288 1.00 1.82 C ATOM 2157 CE LYS B 40 9.971 19.188 18.801 1.00 2.32 C ATOM 2158 NZ LYS B 40 10.949 20.117 18.181 1.00 2.45 N ATOM 0 H LYS B 40 10.754 15.352 14.977 1.00 0.91 H new ATOM 0 HA LYS B 40 10.525 15.168 17.879 1.00 1.04 H new ATOM 0 HB2 LYS B 40 8.790 16.106 15.540 1.00 1.14 H new ATOM 0 HB3 LYS B 40 8.188 16.068 17.186 1.00 1.14 H new ATOM 0 HG2 LYS B 40 10.521 17.761 16.179 1.00 1.36 H new ATOM 0 HG3 LYS B 40 8.914 18.344 16.566 1.00 1.36 H new ATOM 0 HD2 LYS B 40 9.431 17.105 18.902 1.00 1.82 H new ATOM 0 HD3 LYS B 40 11.089 17.388 18.411 1.00 1.82 H new ATOM 0 HE2 LYS B 40 8.964 19.562 18.617 1.00 2.32 H new ATOM 0 HE3 LYS B 40 10.119 19.189 19.881 1.00 2.32 H new ATOM 0 HZ1 LYS B 40 11.257 20.817 18.885 1.00 2.45 H new ATOM 0 HZ2 LYS B 40 11.773 19.579 17.844 1.00 2.45 H new ATOM 0 HZ3 LYS B 40 10.503 20.606 17.379 1.00 2.45 H new ATOM 2172 N GLU B 41 9.122 13.041 15.853 1.00 0.96 N ATOM 2173 CA GLU B 41 8.511 11.722 15.672 1.00 1.16 C ATOM 2174 C GLU B 41 9.444 10.577 16.080 1.00 1.03 C ATOM 2175 O GLU B 41 9.135 9.824 17.001 1.00 1.37 O ATOM 2176 CB GLU B 41 8.159 11.508 14.196 1.00 1.69 C ATOM 2177 CG GLU B 41 6.981 12.336 13.688 1.00 1.73 C ATOM 2178 CD GLU B 41 6.792 12.055 12.201 1.00 3.41 C ATOM 2179 OE1 GLU B 41 7.774 12.275 11.451 1.00 4.58 O ATOM 2180 OE2 GLU B 41 5.681 11.591 11.850 1.00 4.16 O ATOM 0 H GLU B 41 9.450 13.432 14.970 1.00 0.96 H new ATOM 0 HA GLU B 41 7.627 11.707 16.309 1.00 1.16 H new ATOM 0 HB2 GLU B 41 9.035 11.741 13.591 1.00 1.69 H new ATOM 0 HB3 GLU B 41 7.936 10.452 14.040 1.00 1.69 H new ATOM 0 HG2 GLU B 41 6.075 12.082 14.239 1.00 1.73 H new ATOM 0 HG3 GLU B 41 7.167 13.398 13.851 1.00 1.73 H new ATOM 2187 N LEU B 42 10.553 10.377 15.362 1.00 1.01 N ATOM 2188 CA LEU B 42 11.382 9.181 15.465 1.00 1.09 C ATOM 2189 C LEU B 42 12.607 9.535 16.302 1.00 1.07 C ATOM 2190 O LEU B 42 13.435 10.353 15.897 1.00 1.34 O ATOM 2191 CB LEU B 42 11.742 8.692 14.045 1.00 1.23 C ATOM 2192 CG LEU B 42 11.792 7.157 13.893 1.00 1.42 C ATOM 2193 CD1 LEU B 42 12.026 6.799 12.420 1.00 1.99 C ATOM 2194 CD2 LEU B 42 12.887 6.508 14.755 1.00 2.22 C ATOM 0 H LEU B 42 10.902 11.054 14.684 1.00 1.01 H new ATOM 0 HA LEU B 42 10.860 8.361 15.957 1.00 1.09 H new ATOM 0 HB2 LEU B 42 11.012 9.091 13.341 1.00 1.23 H new ATOM 0 HB3 LEU B 42 12.712 9.104 13.767 1.00 1.23 H new ATOM 0 HG LEU B 42 10.835 6.767 14.239 1.00 1.42 H new ATOM 0 HD11 LEU B 42 12.062 5.715 12.310 1.00 1.99 H new ATOM 0 HD12 LEU B 42 11.212 7.198 11.815 1.00 1.99 H new ATOM 0 HD13 LEU B 42 12.971 7.229 12.087 1.00 1.99 H new ATOM 0 HD21 LEU B 42 12.874 5.428 14.607 1.00 2.22 H new ATOM 0 HD22 LEU B 42 13.861 6.903 14.464 1.00 2.22 H new ATOM 0 HD23 LEU B 42 12.704 6.732 15.806 1.00 2.22 H new ATOM 2206 N CYS B 43 12.748 8.900 17.470 1.00 1.18 N ATOM 2207 CA CYS B 43 13.744 9.274 18.483 1.00 1.37 C ATOM 2208 C CYS B 43 15.215 9.163 18.045 1.00 1.68 C ATOM 2209 O CYS B 43 16.094 9.627 18.760 1.00 3.01 O ATOM 2210 CB CYS B 43 13.474 8.467 19.764 1.00 1.65 C ATOM 2211 SG CYS B 43 14.054 6.759 19.558 1.00 3.46 S ATOM 0 H CYS B 43 12.170 8.105 17.743 1.00 1.18 H new ATOM 0 HA CYS B 43 13.616 10.342 18.660 1.00 1.37 H new ATOM 0 HB2 CYS B 43 13.981 8.932 20.610 1.00 1.65 H new ATOM 0 HB3 CYS B 43 12.407 8.473 19.989 1.00 1.65 H new ATOM 0 HG CYS B 43 13.823 6.088 20.647 1.00 3.46 H new ATOM 2217 N LEU B 44 15.490 8.559 16.882 1.00 1.60 N ATOM 2218 CA LEU B 44 16.803 8.486 16.266 1.00 2.13 C ATOM 2219 C LEU B 44 17.382 9.883 16.000 1.00 3.00 C ATOM 2220 O LEU B 44 17.155 10.492 14.950 1.00 4.27 O ATOM 2221 CB LEU B 44 16.677 7.601 15.015 1.00 2.31 C ATOM 2222 CG LEU B 44 18.030 7.089 14.492 1.00 3.13 C ATOM 2223 CD1 LEU B 44 17.774 5.837 13.653 1.00 3.87 C ATOM 2224 CD2 LEU B 44 18.805 8.094 13.626 1.00 4.40 C ATOM 0 H LEU B 44 14.770 8.093 16.330 1.00 1.60 H new ATOM 0 HA LEU B 44 17.529 8.027 16.937 1.00 2.13 H new ATOM 0 HB2 LEU B 44 16.038 6.748 15.245 1.00 2.31 H new ATOM 0 HB3 LEU B 44 16.181 8.167 14.226 1.00 2.31 H new ATOM 0 HG LEU B 44 18.647 6.898 15.370 1.00 3.13 H new ATOM 0 HD11 LEU B 44 18.721 5.455 13.271 1.00 3.87 H new ATOM 0 HD12 LEU B 44 17.299 5.075 14.271 1.00 3.87 H new ATOM 0 HD13 LEU B 44 17.120 6.086 12.818 1.00 3.87 H new ATOM 0 HD21 LEU B 44 19.745 7.647 13.303 1.00 4.40 H new ATOM 0 HD22 LEU B 44 18.209 8.357 12.752 1.00 4.40 H new ATOM 0 HD23 LEU B 44 19.012 8.992 14.208 1.00 4.40 H new ATOM 2236 N GLY B 45 18.169 10.342 16.973 1.00 2.78 N ATOM 2237 CA GLY B 45 19.522 10.854 16.764 1.00 3.21 C ATOM 2238 C GLY B 45 20.480 9.719 17.111 1.00 2.58 C ATOM 2239 O GLY B 45 20.996 9.054 16.218 1.00 3.31 O ATOM 0 H GLY B 45 17.876 10.368 17.950 1.00 2.78 H new ATOM 0 HA2 GLY B 45 19.659 11.174 15.731 1.00 3.21 H new ATOM 0 HA3 GLY B 45 19.708 11.724 17.394 1.00 3.21 H new ATOM 2242 N GLU B 46 20.612 9.418 18.403 1.00 2.33 N ATOM 2243 CA GLU B 46 21.176 8.156 18.871 1.00 2.18 C ATOM 2244 C GLU B 46 20.362 6.967 18.319 1.00 2.38 C ATOM 2245 O GLU B 46 19.147 6.894 18.481 1.00 4.09 O ATOM 2246 CB GLU B 46 21.300 8.144 20.412 1.00 2.81 C ATOM 2247 CG GLU B 46 19.989 8.375 21.180 1.00 3.41 C ATOM 2248 CD GLU B 46 20.222 8.441 22.693 1.00 4.83 C ATOM 2249 OE1 GLU B 46 20.908 9.394 23.126 1.00 6.05 O ATOM 2250 OE2 GLU B 46 19.696 7.546 23.393 1.00 5.46 O ATOM 0 H GLU B 46 20.329 10.046 19.155 1.00 2.33 H new ATOM 0 HA GLU B 46 22.190 8.051 18.484 1.00 2.18 H new ATOM 0 HB2 GLU B 46 21.717 7.185 20.719 1.00 2.81 H new ATOM 0 HB3 GLU B 46 22.015 8.912 20.708 1.00 2.81 H new ATOM 0 HG2 GLU B 46 19.528 9.303 20.842 1.00 3.41 H new ATOM 0 HG3 GLU B 46 19.289 7.571 20.954 1.00 3.41 H new ATOM 2257 N MET B 47 21.081 6.074 17.633 1.00 1.74 N ATOM 2258 CA MET B 47 20.792 4.704 17.173 1.00 2.15 C ATOM 2259 C MET B 47 21.765 4.275 16.063 1.00 1.94 C ATOM 2260 O MET B 47 22.366 3.210 16.153 1.00 2.61 O ATOM 2261 CB MET B 47 19.337 4.432 16.727 1.00 2.76 C ATOM 2262 CG MET B 47 18.913 3.084 17.299 1.00 3.39 C ATOM 2263 SD MET B 47 17.548 2.256 16.435 1.00 3.74 S ATOM 2264 CE MET B 47 16.200 3.456 16.619 1.00 2.96 C ATOM 0 H MET B 47 22.024 6.333 17.342 1.00 1.74 H new ATOM 0 HA MET B 47 20.935 4.097 18.067 1.00 2.15 H new ATOM 0 HB2 MET B 47 18.675 5.222 17.083 1.00 2.76 H new ATOM 0 HB3 MET B 47 19.267 4.423 15.639 1.00 2.76 H new ATOM 0 HG2 MET B 47 19.777 2.420 17.294 1.00 3.39 H new ATOM 0 HG3 MET B 47 18.626 3.226 18.341 1.00 3.39 H new ATOM 0 HE1 MET B 47 15.352 2.978 17.108 1.00 2.96 H new ATOM 0 HE2 MET B 47 16.541 4.297 17.223 1.00 2.96 H new ATOM 0 HE3 MET B 47 15.896 3.816 15.636 1.00 2.96 H new ATOM 2274 N LYS B 48 21.864 5.061 14.987 1.00 1.70 N ATOM 2275 CA LYS B 48 22.813 5.028 13.885 1.00 1.94 C ATOM 2276 C LYS B 48 23.525 6.388 13.745 1.00 2.31 C ATOM 2277 O LYS B 48 22.896 7.418 13.981 1.00 2.79 O ATOM 2278 CB LYS B 48 21.958 4.796 12.631 1.00 2.16 C ATOM 2279 CG LYS B 48 21.976 3.359 12.156 1.00 2.53 C ATOM 2280 CD LYS B 48 21.573 2.212 13.095 1.00 2.80 C ATOM 2281 CE LYS B 48 20.158 2.381 13.657 1.00 3.51 C ATOM 2282 NZ LYS B 48 19.657 1.143 14.305 1.00 4.82 N ATOM 0 H LYS B 48 21.199 5.824 14.859 1.00 1.70 H new ATOM 0 HA LYS B 48 23.573 4.262 14.038 1.00 1.94 H new ATOM 0 HB2 LYS B 48 20.930 5.090 12.841 1.00 2.16 H new ATOM 0 HB3 LYS B 48 22.317 5.442 11.830 1.00 2.16 H new ATOM 0 HG2 LYS B 48 21.324 3.302 11.284 1.00 2.53 H new ATOM 0 HG3 LYS B 48 22.988 3.149 11.811 1.00 2.53 H new ATOM 0 HD2 LYS B 48 21.635 1.267 12.556 1.00 2.80 H new ATOM 0 HD3 LYS B 48 22.283 2.156 13.920 1.00 2.80 H new ATOM 0 HE2 LYS B 48 20.152 3.195 14.381 1.00 3.51 H new ATOM 0 HE3 LYS B 48 19.481 2.666 12.851 1.00 3.51 H new ATOM 0 HZ1 LYS B 48 19.150 1.389 15.179 1.00 4.82 H new ATOM 0 HZ2 LYS B 48 19.011 0.649 13.657 1.00 4.82 H new ATOM 0 HZ3 LYS B 48 20.459 0.522 14.534 1.00 4.82 H new ATOM 2296 N GLU B 49 24.768 6.404 13.273 1.00 2.54 N ATOM 2297 CA GLU B 49 25.483 7.621 12.870 1.00 2.85 C ATOM 2298 C GLU B 49 25.974 7.452 11.431 1.00 2.54 C ATOM 2299 O GLU B 49 26.310 6.339 11.032 1.00 3.48 O ATOM 2300 CB GLU B 49 26.684 7.880 13.796 1.00 3.88 C ATOM 2301 CG GLU B 49 26.261 8.300 15.206 1.00 4.57 C ATOM 2302 CD GLU B 49 27.494 8.567 16.063 1.00 6.05 C ATOM 2303 OE1 GLU B 49 28.095 9.647 15.870 1.00 6.67 O ATOM 2304 OE2 GLU B 49 27.827 7.675 16.872 1.00 7.07 O ATOM 0 H GLU B 49 25.322 5.556 13.156 1.00 2.54 H new ATOM 0 HA GLU B 49 24.805 8.472 12.941 1.00 2.85 H new ATOM 0 HB2 GLU B 49 27.292 6.978 13.857 1.00 3.88 H new ATOM 0 HB3 GLU B 49 27.311 8.659 13.362 1.00 3.88 H new ATOM 0 HG2 GLU B 49 25.641 9.195 15.157 1.00 4.57 H new ATOM 0 HG3 GLU B 49 25.654 7.517 15.661 1.00 4.57 H new ATOM 2311 N SER B 50 26.023 8.555 10.676 1.00 2.12 N ATOM 2312 CA SER B 50 26.493 8.634 9.280 1.00 2.01 C ATOM 2313 C SER B 50 25.533 8.002 8.251 1.00 1.90 C ATOM 2314 O SER B 50 24.699 7.163 8.578 1.00 2.89 O ATOM 2315 CB SER B 50 27.904 8.052 9.133 1.00 2.43 C ATOM 2316 OG SER B 50 28.507 8.524 7.940 1.00 3.11 O ATOM 0 H SER B 50 25.723 9.462 11.034 1.00 2.12 H new ATOM 0 HA SER B 50 26.519 9.699 9.048 1.00 2.01 H new ATOM 0 HB2 SER B 50 28.513 8.333 9.992 1.00 2.43 H new ATOM 0 HB3 SER B 50 27.856 6.963 9.119 1.00 2.43 H new ATOM 0 HG SER B 50 29.408 8.147 7.858 1.00 3.11 H new ATOM 2322 N SER B 51 25.617 8.425 6.984 1.00 1.86 N ATOM 2323 CA SER B 51 24.805 7.986 5.822 1.00 1.86 C ATOM 2324 C SER B 51 23.313 8.330 5.930 1.00 1.69 C ATOM 2325 O SER B 51 22.777 8.956 5.020 1.00 1.99 O ATOM 2326 CB SER B 51 24.970 6.485 5.555 1.00 2.23 C ATOM 2327 OG SER B 51 24.474 6.159 4.268 1.00 2.54 O ATOM 0 H SER B 51 26.300 9.133 6.715 1.00 1.86 H new ATOM 0 HA SER B 51 25.198 8.555 4.980 1.00 1.86 H new ATOM 0 HB2 SER B 51 26.022 6.209 5.628 1.00 2.23 H new ATOM 0 HB3 SER B 51 24.437 5.912 6.314 1.00 2.23 H new ATOM 0 HG SER B 51 24.586 5.199 4.108 1.00 2.54 H new ATOM 2333 N ILE B 52 22.655 7.984 7.044 1.00 1.70 N ATOM 2334 CA ILE B 52 21.338 8.509 7.440 1.00 1.74 C ATOM 2335 C ILE B 52 21.336 10.033 7.524 1.00 1.51 C ATOM 2336 O ILE B 52 20.277 10.642 7.377 1.00 1.62 O ATOM 2337 CB ILE B 52 20.849 7.886 8.775 1.00 2.11 C ATOM 2338 CG1 ILE B 52 21.670 8.263 10.037 1.00 2.57 C ATOM 2339 CG2 ILE B 52 20.763 6.356 8.639 1.00 2.50 C ATOM 2340 CD1 ILE B 52 21.151 9.507 10.771 1.00 2.45 C ATOM 0 H ILE B 52 23.032 7.314 7.714 1.00 1.70 H new ATOM 0 HA ILE B 52 20.637 8.218 6.657 1.00 1.74 H new ATOM 0 HB ILE B 52 19.865 8.323 8.944 1.00 2.11 H new ATOM 0 HG12 ILE B 52 21.665 7.419 10.726 1.00 2.57 H new ATOM 0 HG13 ILE B 52 22.707 8.432 9.746 1.00 2.57 H new ATOM 0 HG21 ILE B 52 20.419 5.926 9.580 1.00 2.50 H new ATOM 0 HG22 ILE B 52 20.061 6.100 7.845 1.00 2.50 H new ATOM 0 HG23 ILE B 52 21.748 5.956 8.396 1.00 2.50 H new ATOM 0 HD11 ILE B 52 21.778 9.704 11.641 1.00 2.45 H new ATOM 0 HD12 ILE B 52 21.182 10.365 10.099 1.00 2.45 H new ATOM 0 HD13 ILE B 52 20.124 9.336 11.095 1.00 2.45 H new ATOM 2352 N ASP B 53 22.511 10.638 7.744 1.00 1.37 N ATOM 2353 CA ASP B 53 22.672 12.085 7.696 1.00 1.33 C ATOM 2354 C ASP B 53 22.412 12.643 6.301 1.00 1.25 C ATOM 2355 O ASP B 53 21.707 13.628 6.262 1.00 1.51 O ATOM 2356 CB ASP B 53 24.036 12.591 8.199 1.00 1.53 C ATOM 2357 CG ASP B 53 24.088 14.139 8.150 1.00 2.01 C ATOM 2358 OD1 ASP B 53 23.275 14.807 8.828 1.00 2.43 O ATOM 2359 OD2 ASP B 53 24.886 14.715 7.375 1.00 2.96 O ATOM 0 H ASP B 53 23.371 10.133 7.959 1.00 1.37 H new ATOM 0 HA ASP B 53 21.917 12.458 8.389 1.00 1.33 H new ATOM 0 HB2 ASP B 53 24.205 12.247 9.219 1.00 1.53 H new ATOM 0 HB3 ASP B 53 24.835 12.174 7.586 1.00 1.53 H new ATOM 2364 N ASP B 54 22.891 12.089 5.174 1.00 1.10 N ATOM 2365 CA ASP B 54 22.738 12.822 3.895 1.00 1.02 C ATOM 2366 C ASP B 54 21.268 12.972 3.478 1.00 0.97 C ATOM 2367 O ASP B 54 20.900 13.931 2.802 1.00 1.08 O ATOM 2368 CB ASP B 54 23.584 12.296 2.731 1.00 1.26 C ATOM 2369 CG ASP B 54 23.614 13.293 1.533 1.00 1.64 C ATOM 2370 OD1 ASP B 54 23.632 14.540 1.726 1.00 2.83 O ATOM 2371 OD2 ASP B 54 23.586 12.822 0.379 1.00 2.13 O ATOM 0 H ASP B 54 23.363 11.187 5.114 1.00 1.10 H new ATOM 0 HA ASP B 54 23.141 13.810 4.120 1.00 1.02 H new ATOM 0 HB2 ASP B 54 24.602 12.113 3.076 1.00 1.26 H new ATOM 0 HB3 ASP B 54 23.184 11.339 2.396 1.00 1.26 H new ATOM 2376 N LEU B 55 20.401 12.087 3.966 1.00 0.89 N ATOM 2377 CA LEU B 55 18.945 12.224 3.850 1.00 0.95 C ATOM 2378 C LEU B 55 18.484 13.508 4.541 1.00 0.97 C ATOM 2379 O LEU B 55 17.969 14.421 3.895 1.00 0.93 O ATOM 2380 CB LEU B 55 18.239 10.980 4.430 1.00 0.97 C ATOM 2381 CG LEU B 55 18.745 9.631 3.892 1.00 1.03 C ATOM 2382 CD1 LEU B 55 17.863 8.506 4.456 1.00 1.04 C ATOM 2383 CD2 LEU B 55 18.768 9.599 2.355 1.00 1.09 C ATOM 0 H LEU B 55 20.691 11.243 4.460 1.00 0.89 H new ATOM 0 HA LEU B 55 18.674 12.293 2.797 1.00 0.95 H new ATOM 0 HB2 LEU B 55 18.356 10.988 5.514 1.00 0.97 H new ATOM 0 HB3 LEU B 55 17.172 11.058 4.224 1.00 0.97 H new ATOM 0 HG LEU B 55 19.774 9.487 4.220 1.00 1.03 H new ATOM 0 HD11 LEU B 55 18.214 7.545 4.080 1.00 1.04 H new ATOM 0 HD12 LEU B 55 17.918 8.512 5.545 1.00 1.04 H new ATOM 0 HD13 LEU B 55 16.830 8.662 4.144 1.00 1.04 H new ATOM 0 HD21 LEU B 55 19.132 8.629 2.017 1.00 1.09 H new ATOM 0 HD22 LEU B 55 17.760 9.762 1.973 1.00 1.09 H new ATOM 0 HD23 LEU B 55 19.428 10.383 1.985 1.00 1.09 H new ATOM 2395 N MET B 56 18.744 13.607 5.848 1.00 1.12 N ATOM 2396 CA MET B 56 18.493 14.808 6.662 1.00 1.26 C ATOM 2397 C MET B 56 19.186 16.041 6.081 1.00 1.31 C ATOM 2398 O MET B 56 18.613 17.128 6.030 1.00 1.40 O ATOM 2399 CB MET B 56 18.995 14.542 8.092 1.00 1.39 C ATOM 2400 CG MET B 56 18.005 13.704 8.909 1.00 1.44 C ATOM 2401 SD MET B 56 16.358 14.431 9.180 1.00 1.66 S ATOM 2402 CE MET B 56 16.824 16.113 9.681 1.00 1.83 C ATOM 0 H MET B 56 19.144 12.838 6.385 1.00 1.12 H new ATOM 0 HA MET B 56 17.423 15.013 6.666 1.00 1.26 H new ATOM 0 HB2 MET B 56 19.954 14.026 8.048 1.00 1.39 H new ATOM 0 HB3 MET B 56 19.167 15.492 8.597 1.00 1.39 H new ATOM 0 HG2 MET B 56 17.876 12.744 8.409 1.00 1.44 H new ATOM 0 HG3 MET B 56 18.452 13.499 9.882 1.00 1.44 H new ATOM 0 HE1 MET B 56 15.995 16.577 10.215 1.00 1.83 H new ATOM 0 HE2 MET B 56 17.696 16.070 10.333 1.00 1.83 H new ATOM 0 HE3 MET B 56 17.061 16.704 8.796 1.00 1.83 H new ATOM 2412 N LYS B 57 20.403 15.860 5.578 1.00 1.32 N ATOM 2413 CA LYS B 57 21.252 16.875 4.988 1.00 1.44 C ATOM 2414 C LYS B 57 20.657 17.407 3.686 1.00 1.34 C ATOM 2415 O LYS B 57 20.795 18.578 3.374 1.00 1.55 O ATOM 2416 CB LYS B 57 22.659 16.290 4.768 1.00 1.63 C ATOM 2417 CG LYS B 57 23.827 17.257 4.549 1.00 1.41 C ATOM 2418 CD LYS B 57 23.783 18.516 5.416 1.00 2.09 C ATOM 2419 CE LYS B 57 24.235 18.370 6.883 1.00 3.36 C ATOM 2420 NZ LYS B 57 23.607 17.246 7.619 1.00 4.68 N ATOM 0 H LYS B 57 20.845 14.941 5.574 1.00 1.32 H new ATOM 0 HA LYS B 57 21.323 17.723 5.669 1.00 1.44 H new ATOM 0 HB2 LYS B 57 22.899 15.670 5.632 1.00 1.63 H new ATOM 0 HB3 LYS B 57 22.611 15.627 3.904 1.00 1.63 H new ATOM 0 HG2 LYS B 57 24.760 16.729 4.745 1.00 1.41 H new ATOM 0 HG3 LYS B 57 23.844 17.554 3.500 1.00 1.41 H new ATOM 0 HD2 LYS B 57 24.406 19.275 4.943 1.00 2.09 H new ATOM 0 HD3 LYS B 57 22.761 18.895 5.412 1.00 2.09 H new ATOM 0 HE2 LYS B 57 25.317 18.240 6.904 1.00 3.36 H new ATOM 0 HE3 LYS B 57 24.016 19.299 7.410 1.00 3.36 H new ATOM 0 HZ1 LYS B 57 23.628 17.444 8.640 1.00 4.68 H new ATOM 0 HZ2 LYS B 57 22.621 17.136 7.308 1.00 4.68 H new ATOM 0 HZ3 LYS B 57 24.131 16.369 7.426 1.00 4.68 H new ATOM 2434 N SER B 58 19.976 16.552 2.935 1.00 1.12 N ATOM 2435 CA SER B 58 19.135 16.854 1.755 1.00 1.17 C ATOM 2436 C SER B 58 17.869 17.681 2.078 1.00 1.29 C ATOM 2437 O SER B 58 17.269 18.281 1.188 1.00 1.47 O ATOM 2438 CB SER B 58 18.771 15.570 0.990 1.00 1.19 C ATOM 2439 OG SER B 58 18.580 15.858 -0.386 1.00 1.99 O ATOM 0 H SER B 58 19.989 15.553 3.139 1.00 1.12 H new ATOM 0 HA SER B 58 19.748 17.488 1.115 1.00 1.17 H new ATOM 0 HB2 SER B 58 19.563 14.831 1.108 1.00 1.19 H new ATOM 0 HB3 SER B 58 17.863 15.134 1.407 1.00 1.19 H new ATOM 0 HG SER B 58 18.350 15.034 -0.864 1.00 1.99 H new ATOM 2445 N LEU B 59 17.459 17.759 3.348 1.00 1.31 N ATOM 2446 CA LEU B 59 16.448 18.722 3.814 1.00 1.50 C ATOM 2447 C LEU B 59 17.120 20.056 4.151 1.00 1.68 C ATOM 2448 O LEU B 59 16.731 21.110 3.646 1.00 1.90 O ATOM 2449 CB LEU B 59 15.684 18.144 5.018 1.00 1.48 C ATOM 2450 CG LEU B 59 15.199 16.689 4.848 1.00 1.41 C ATOM 2451 CD1 LEU B 59 14.357 16.293 6.065 1.00 1.43 C ATOM 2452 CD2 LEU B 59 14.395 16.510 3.557 1.00 1.39 C ATOM 0 H LEU B 59 17.819 17.155 4.087 1.00 1.31 H new ATOM 0 HA LEU B 59 15.722 18.905 3.022 1.00 1.50 H new ATOM 0 HB2 LEU B 59 16.328 18.196 5.896 1.00 1.48 H new ATOM 0 HB3 LEU B 59 14.820 18.778 5.219 1.00 1.48 H new ATOM 0 HG LEU B 59 16.071 16.038 4.777 1.00 1.41 H new ATOM 0 HD11 LEU B 59 14.012 15.266 5.950 1.00 1.43 H new ATOM 0 HD12 LEU B 59 14.962 16.373 6.968 1.00 1.43 H new ATOM 0 HD13 LEU B 59 13.497 16.958 6.144 1.00 1.43 H new ATOM 0 HD21 LEU B 59 14.070 15.473 3.471 1.00 1.39 H new ATOM 0 HD22 LEU B 59 13.522 17.163 3.578 1.00 1.39 H new ATOM 0 HD23 LEU B 59 15.019 16.766 2.701 1.00 1.39 H new ATOM 2464 N ASP B 60 18.189 19.965 4.945 1.00 1.70 N ATOM 2465 CA ASP B 60 19.146 21.021 5.306 1.00 1.92 C ATOM 2466 C ASP B 60 19.649 21.838 4.101 1.00 1.87 C ATOM 2467 O ASP B 60 19.784 23.057 4.188 1.00 2.02 O ATOM 2468 CB ASP B 60 20.340 20.318 5.980 1.00 1.93 C ATOM 2469 CG ASP B 60 20.719 20.772 7.383 1.00 2.65 C ATOM 2470 OD1 ASP B 60 19.814 21.235 8.113 1.00 2.83 O ATOM 2471 OD2 ASP B 60 21.896 20.544 7.738 1.00 3.75 O ATOM 0 H ASP B 60 18.430 19.079 5.390 1.00 1.70 H new ATOM 0 HA ASP B 60 18.647 21.735 5.961 1.00 1.92 H new ATOM 0 HB2 ASP B 60 20.125 19.250 6.018 1.00 1.93 H new ATOM 0 HB3 ASP B 60 21.212 20.445 5.338 1.00 1.93 H new ATOM 2476 N LYS B 61 19.878 21.141 2.977 1.00 1.83 N ATOM 2477 CA LYS B 61 20.502 21.565 1.714 1.00 1.96 C ATOM 2478 C LYS B 61 19.969 22.916 1.202 1.00 2.11 C ATOM 2479 O LYS B 61 20.709 23.664 0.569 1.00 2.38 O ATOM 2480 CB LYS B 61 20.259 20.419 0.688 1.00 1.88 C ATOM 2481 CG LYS B 61 21.375 20.050 -0.313 1.00 2.03 C ATOM 2482 CD LYS B 61 22.675 19.403 0.228 1.00 2.98 C ATOM 2483 CE LYS B 61 22.577 18.049 0.973 1.00 4.22 C ATOM 2484 NZ LYS B 61 22.753 16.803 0.170 1.00 5.01 N ATOM 0 H LYS B 61 19.600 20.161 2.926 1.00 1.83 H new ATOM 0 HA LYS B 61 21.568 21.734 1.867 1.00 1.96 H new ATOM 0 HB2 LYS B 61 20.016 19.519 1.254 1.00 1.88 H new ATOM 0 HB3 LYS B 61 19.373 20.680 0.109 1.00 1.88 H new ATOM 0 HG2 LYS B 61 20.948 19.368 -1.048 1.00 2.03 H new ATOM 0 HG3 LYS B 61 21.655 20.959 -0.846 1.00 2.03 H new ATOM 0 HD2 LYS B 61 23.353 19.268 -0.615 1.00 2.98 H new ATOM 0 HD3 LYS B 61 23.144 20.119 0.903 1.00 2.98 H new ATOM 0 HE2 LYS B 61 23.326 18.047 1.765 1.00 4.22 H new ATOM 0 HE3 LYS B 61 21.601 18.002 1.457 1.00 4.22 H new ATOM 0 HZ1 LYS B 61 23.083 16.035 0.789 1.00 5.01 H new ATOM 0 HZ2 LYS B 61 21.844 16.535 -0.259 1.00 5.01 H new ATOM 0 HZ3 LYS B 61 23.454 16.969 -0.580 1.00 5.01 H new ATOM 2498 N ASN B 62 18.703 23.225 1.511 1.00 2.11 N ATOM 2499 CA ASN B 62 18.100 24.553 1.330 1.00 2.61 C ATOM 2500 C ASN B 62 17.116 24.901 2.460 1.00 2.54 C ATOM 2501 O ASN B 62 17.115 26.023 2.936 1.00 3.44 O ATOM 2502 CB ASN B 62 17.373 24.608 -0.017 1.00 2.78 C ATOM 2503 CG ASN B 62 18.314 24.435 -1.198 1.00 3.05 C ATOM 2504 OD1 ASN B 62 18.379 23.364 -1.785 1.00 2.63 O ATOM 2505 ND2 ASN B 62 19.077 25.454 -1.545 1.00 4.15 N ATOM 0 H ASN B 62 18.054 22.543 1.903 1.00 2.11 H new ATOM 0 HA ASN B 62 18.906 25.287 1.355 1.00 2.61 H new ATOM 0 HB2 ASN B 62 16.612 23.828 -0.047 1.00 2.78 H new ATOM 0 HB3 ASN B 62 16.855 25.563 -0.107 1.00 2.78 H new ATOM 0 HD21 ASN B 62 19.737 25.357 -2.316 1.00 4.15 H new ATOM 0 HD22 ASN B 62 19.007 26.338 -1.042 1.00 4.15 H new ATOM 2512 N SER B 63 16.262 23.951 2.869 1.00 1.77 N ATOM 2513 CA SER B 63 15.345 23.981 4.029 1.00 1.54 C ATOM 2514 C SER B 63 14.104 24.859 3.825 1.00 1.21 C ATOM 2515 O SER B 63 12.986 24.429 4.101 1.00 1.11 O ATOM 2516 CB SER B 63 16.028 24.418 5.338 1.00 2.15 C ATOM 2517 OG SER B 63 17.213 23.696 5.634 1.00 2.96 O ATOM 0 H SER B 63 16.185 23.070 2.360 1.00 1.77 H new ATOM 0 HA SER B 63 15.028 22.941 4.113 1.00 1.54 H new ATOM 0 HB2 SER B 63 16.267 25.480 5.276 1.00 2.15 H new ATOM 0 HB3 SER B 63 15.325 24.297 6.162 1.00 2.15 H new ATOM 0 HG SER B 63 17.820 23.733 4.865 1.00 2.96 H new ATOM 2523 N ASP B 64 14.264 26.061 3.298 1.00 1.56 N ATOM 2524 CA ASP B 64 13.258 27.123 3.344 1.00 1.64 C ATOM 2525 C ASP B 64 12.601 27.198 1.964 1.00 1.82 C ATOM 2526 O ASP B 64 12.698 28.139 1.184 1.00 2.79 O ATOM 2527 CB ASP B 64 13.883 28.381 3.952 1.00 2.26 C ATOM 2528 CG ASP B 64 14.254 28.075 5.417 1.00 3.21 C ATOM 2529 OD1 ASP B 64 13.322 27.959 6.246 1.00 3.85 O ATOM 2530 OD2 ASP B 64 15.459 27.857 5.695 1.00 3.91 O ATOM 0 H ASP B 64 15.117 26.338 2.812 1.00 1.56 H new ATOM 0 HA ASP B 64 12.421 26.940 4.018 1.00 1.64 H new ATOM 0 HB2 ASP B 64 14.769 28.675 3.389 1.00 2.26 H new ATOM 0 HB3 ASP B 64 13.183 29.215 3.903 1.00 2.26 H new ATOM 2535 N GLN B 65 12.039 26.026 1.685 1.00 1.52 N ATOM 2536 CA GLN B 65 11.512 25.454 0.452 1.00 1.57 C ATOM 2537 C GLN B 65 10.268 24.620 0.822 1.00 1.24 C ATOM 2538 O GLN B 65 10.097 24.346 2.007 1.00 1.36 O ATOM 2539 CB GLN B 65 12.616 24.508 -0.036 1.00 2.15 C ATOM 2540 CG GLN B 65 13.759 25.194 -0.791 1.00 2.54 C ATOM 2541 CD GLN B 65 13.390 25.487 -2.240 1.00 2.61 C ATOM 2542 OE1 GLN B 65 12.519 26.277 -2.544 1.00 3.41 O ATOM 2543 NE2 GLN B 65 14.009 24.821 -3.195 1.00 3.42 N ATOM 0 H GLN B 65 11.927 25.351 2.442 1.00 1.52 H new ATOM 0 HA GLN B 65 11.244 26.200 -0.296 1.00 1.57 H new ATOM 0 HB2 GLN B 65 13.031 23.982 0.824 1.00 2.15 H new ATOM 0 HB3 GLN B 65 12.170 23.755 -0.686 1.00 2.15 H new ATOM 0 HG2 GLN B 65 14.019 26.125 -0.288 1.00 2.54 H new ATOM 0 HG3 GLN B 65 14.644 24.559 -0.764 1.00 2.54 H new ATOM 0 HE21 GLN B 65 14.743 24.154 -2.958 1.00 3.42 H new ATOM 0 HE22 GLN B 65 13.754 24.973 -4.171 1.00 3.42 H new ATOM 2552 N GLU B 66 9.453 24.129 -0.120 1.00 1.32 N ATOM 2553 CA GLU B 66 8.398 23.159 0.243 1.00 1.21 C ATOM 2554 C GLU B 66 8.880 21.695 0.254 1.00 1.41 C ATOM 2555 O GLU B 66 9.938 21.349 -0.275 1.00 2.05 O ATOM 2556 CB GLU B 66 7.125 23.277 -0.615 1.00 1.42 C ATOM 2557 CG GLU B 66 6.358 24.581 -0.419 1.00 1.45 C ATOM 2558 CD GLU B 66 4.976 24.438 -1.059 1.00 1.71 C ATOM 2559 OE1 GLU B 66 4.886 24.638 -2.287 1.00 2.63 O ATOM 2560 OE2 GLU B 66 4.018 24.106 -0.322 1.00 2.15 O ATOM 0 H GLU B 66 9.495 24.373 -1.109 1.00 1.32 H new ATOM 0 HA GLU B 66 8.142 23.438 1.265 1.00 1.21 H new ATOM 0 HB2 GLU B 66 7.399 23.184 -1.666 1.00 1.42 H new ATOM 0 HB3 GLU B 66 6.465 22.442 -0.382 1.00 1.42 H new ATOM 0 HG2 GLU B 66 6.261 24.806 0.643 1.00 1.45 H new ATOM 0 HG3 GLU B 66 6.901 25.410 -0.873 1.00 1.45 H new ATOM 2567 N ILE B 67 8.053 20.838 0.857 1.00 1.05 N ATOM 2568 CA ILE B 67 7.987 19.380 0.729 1.00 1.07 C ATOM 2569 C ILE B 67 6.527 18.916 0.705 1.00 0.98 C ATOM 2570 O ILE B 67 5.665 19.486 1.376 1.00 0.96 O ATOM 2571 CB ILE B 67 8.794 18.704 1.868 1.00 1.16 C ATOM 2572 CG1 ILE B 67 10.205 18.440 1.310 1.00 1.42 C ATOM 2573 CG2 ILE B 67 8.173 17.414 2.452 1.00 2.09 C ATOM 2574 CD1 ILE B 67 11.093 17.586 2.202 1.00 1.52 C ATOM 0 H ILE B 67 7.346 21.179 1.508 1.00 1.05 H new ATOM 0 HA ILE B 67 8.441 19.080 -0.215 1.00 1.07 H new ATOM 0 HB ILE B 67 8.801 19.381 2.722 1.00 1.16 H new ATOM 0 HG12 ILE B 67 10.112 17.952 0.340 1.00 1.42 H new ATOM 0 HG13 ILE B 67 10.698 19.397 1.139 1.00 1.42 H new ATOM 0 HG21 ILE B 67 8.817 17.025 3.240 1.00 2.09 H new ATOM 0 HG22 ILE B 67 7.190 17.638 2.865 1.00 2.09 H new ATOM 0 HG23 ILE B 67 8.074 16.669 1.663 1.00 2.09 H new ATOM 0 HD11 ILE B 67 12.065 17.454 1.728 1.00 1.52 H new ATOM 0 HD12 ILE B 67 11.223 18.079 3.165 1.00 1.52 H new ATOM 0 HD13 ILE B 67 10.628 16.612 2.353 1.00 1.52 H new ATOM 2586 N ASP B 68 6.301 17.832 -0.033 1.00 1.08 N ATOM 2587 CA ASP B 68 5.042 17.105 -0.174 1.00 1.11 C ATOM 2588 C ASP B 68 5.076 15.758 0.585 1.00 0.98 C ATOM 2589 O ASP B 68 6.138 15.169 0.821 1.00 1.12 O ATOM 2590 CB ASP B 68 4.804 16.906 -1.684 1.00 1.49 C ATOM 2591 CG ASP B 68 3.816 15.786 -2.010 1.00 1.16 C ATOM 2592 OD1 ASP B 68 2.617 15.935 -1.693 1.00 2.17 O ATOM 2593 OD2 ASP B 68 4.293 14.732 -2.490 1.00 1.84 O ATOM 0 H ASP B 68 7.045 17.409 -0.587 1.00 1.08 H new ATOM 0 HA ASP B 68 4.221 17.670 0.267 1.00 1.11 H new ATOM 0 HB2 ASP B 68 4.435 17.839 -2.110 1.00 1.49 H new ATOM 0 HB3 ASP B 68 5.757 16.690 -2.167 1.00 1.49 H new ATOM 2598 N PHE B 69 3.884 15.240 0.901 1.00 0.91 N ATOM 2599 CA PHE B 69 3.628 13.941 1.543 1.00 0.83 C ATOM 2600 C PHE B 69 4.398 12.741 0.961 1.00 0.73 C ATOM 2601 O PHE B 69 4.611 11.749 1.667 1.00 0.69 O ATOM 2602 CB PHE B 69 2.116 13.645 1.463 1.00 1.01 C ATOM 2603 CG PHE B 69 1.399 13.781 2.786 1.00 1.38 C ATOM 2604 CD1 PHE B 69 1.403 12.720 3.710 1.00 1.96 C ATOM 2605 CD2 PHE B 69 0.738 14.980 3.098 1.00 2.85 C ATOM 2606 CE1 PHE B 69 0.761 12.868 4.953 1.00 2.81 C ATOM 2607 CE2 PHE B 69 0.098 15.129 4.338 1.00 3.69 C ATOM 2608 CZ PHE B 69 0.120 14.079 5.266 1.00 3.38 C ATOM 0 H PHE B 69 3.019 15.744 0.705 1.00 0.91 H new ATOM 0 HA PHE B 69 3.990 14.045 2.566 1.00 0.83 H new ATOM 0 HB2 PHE B 69 1.660 14.323 0.741 1.00 1.01 H new ATOM 0 HB3 PHE B 69 1.973 12.633 1.085 1.00 1.01 H new ATOM 0 HD1 PHE B 69 1.899 11.792 3.465 1.00 1.96 H new ATOM 0 HD2 PHE B 69 0.722 15.789 2.382 1.00 2.85 H new ATOM 0 HE1 PHE B 69 0.761 12.055 5.664 1.00 2.81 H new ATOM 0 HE2 PHE B 69 -0.411 16.051 4.577 1.00 3.69 H new ATOM 0 HZ PHE B 69 -0.358 14.201 6.227 1.00 3.38 H new ATOM 2618 N LYS B 70 4.796 12.779 -0.315 1.00 0.75 N ATOM 2619 CA LYS B 70 5.360 11.629 -1.019 1.00 0.67 C ATOM 2620 C LYS B 70 6.872 11.553 -0.842 1.00 0.66 C ATOM 2621 O LYS B 70 7.394 10.457 -0.614 1.00 0.72 O ATOM 2622 CB LYS B 70 4.954 11.762 -2.485 1.00 0.74 C ATOM 2623 CG LYS B 70 4.800 10.444 -3.248 1.00 1.13 C ATOM 2624 CD LYS B 70 4.116 10.717 -4.602 1.00 1.95 C ATOM 2625 CE LYS B 70 3.473 9.432 -5.127 1.00 3.37 C ATOM 2626 NZ LYS B 70 2.657 9.659 -6.349 1.00 4.64 N ATOM 0 H LYS B 70 4.734 13.618 -0.891 1.00 0.75 H new ATOM 0 HA LYS B 70 4.975 10.696 -0.609 1.00 0.67 H new ATOM 0 HB2 LYS B 70 4.009 12.303 -2.535 1.00 0.74 H new ATOM 0 HB3 LYS B 70 5.698 12.373 -2.996 1.00 0.74 H new ATOM 0 HG2 LYS B 70 5.776 9.986 -3.406 1.00 1.13 H new ATOM 0 HG3 LYS B 70 4.208 9.739 -2.664 1.00 1.13 H new ATOM 0 HD2 LYS B 70 3.359 11.493 -4.487 1.00 1.95 H new ATOM 0 HD3 LYS B 70 4.847 11.089 -5.320 1.00 1.95 H new ATOM 0 HE2 LYS B 70 4.253 8.703 -5.346 1.00 3.37 H new ATOM 0 HE3 LYS B 70 2.843 9.001 -4.349 1.00 3.37 H new ATOM 0 HZ1 LYS B 70 1.976 8.881 -6.461 1.00 4.64 H new ATOM 0 HZ2 LYS B 70 2.143 10.559 -6.261 1.00 4.64 H new ATOM 0 HZ3 LYS B 70 3.280 9.696 -7.181 1.00 4.64 H new ATOM 2640 N GLU B 71 7.553 12.708 -0.856 1.00 0.64 N ATOM 2641 CA GLU B 71 8.918 12.810 -0.335 1.00 0.58 C ATOM 2642 C GLU B 71 8.957 12.282 1.102 1.00 0.57 C ATOM 2643 O GLU B 71 9.863 11.551 1.491 1.00 0.67 O ATOM 2644 CB GLU B 71 9.431 14.259 -0.315 1.00 0.70 C ATOM 2645 CG GLU B 71 9.595 14.878 -1.707 1.00 0.93 C ATOM 2646 CD GLU B 71 10.806 15.823 -1.760 1.00 1.61 C ATOM 2647 OE1 GLU B 71 11.949 15.404 -1.461 1.00 2.57 O ATOM 2648 OE2 GLU B 71 10.608 17.024 -2.040 1.00 2.59 O ATOM 0 H GLU B 71 7.178 13.583 -1.223 1.00 0.64 H new ATOM 0 HA GLU B 71 9.555 12.223 -0.997 1.00 0.58 H new ATOM 0 HB2 GLU B 71 8.740 14.871 0.265 1.00 0.70 H new ATOM 0 HB3 GLU B 71 10.391 14.287 0.200 1.00 0.70 H new ATOM 0 HG2 GLU B 71 9.716 14.087 -2.447 1.00 0.93 H new ATOM 0 HG3 GLU B 71 8.691 15.427 -1.972 1.00 0.93 H new ATOM 2655 N TYR B 72 7.926 12.613 1.879 1.00 0.54 N ATOM 2656 CA TYR B 72 7.868 12.311 3.311 1.00 0.51 C ATOM 2657 C TYR B 72 7.770 10.797 3.563 1.00 0.49 C ATOM 2658 O TYR B 72 8.569 10.227 4.309 1.00 0.50 O ATOM 2659 CB TYR B 72 6.730 13.149 3.920 1.00 0.54 C ATOM 2660 CG TYR B 72 6.101 12.668 5.209 1.00 0.61 C ATOM 2661 CD1 TYR B 72 6.882 12.491 6.366 1.00 1.49 C ATOM 2662 CD2 TYR B 72 4.703 12.497 5.280 1.00 1.76 C ATOM 2663 CE1 TYR B 72 6.269 12.208 7.602 1.00 1.52 C ATOM 2664 CE2 TYR B 72 4.086 12.193 6.506 1.00 1.89 C ATOM 2665 CZ TYR B 72 4.869 12.064 7.673 1.00 0.95 C ATOM 2666 OH TYR B 72 4.283 11.825 8.875 1.00 1.14 O ATOM 0 H TYR B 72 7.101 13.102 1.531 1.00 0.54 H new ATOM 0 HA TYR B 72 8.791 12.594 3.817 1.00 0.51 H new ATOM 0 HB2 TYR B 72 7.112 14.155 4.091 1.00 0.54 H new ATOM 0 HB3 TYR B 72 5.940 13.230 3.174 1.00 0.54 H new ATOM 0 HD1 TYR B 72 7.957 12.573 6.306 1.00 1.49 H new ATOM 0 HD2 TYR B 72 4.103 12.600 4.388 1.00 1.76 H new ATOM 0 HE1 TYR B 72 6.870 12.102 8.493 1.00 1.52 H new ATOM 0 HE2 TYR B 72 3.016 12.059 6.555 1.00 1.89 H new ATOM 0 HH TYR B 72 3.319 11.988 8.807 1.00 1.14 H new ATOM 2676 N SER B 73 6.886 10.096 2.852 1.00 0.52 N ATOM 2677 CA SER B 73 6.768 8.638 2.937 1.00 0.57 C ATOM 2678 C SER B 73 7.963 7.872 2.346 1.00 0.58 C ATOM 2679 O SER B 73 8.375 6.881 2.960 1.00 0.61 O ATOM 2680 CB SER B 73 5.448 8.191 2.305 1.00 0.65 C ATOM 2681 OG SER B 73 5.366 8.528 0.938 1.00 1.39 O ATOM 0 H SER B 73 6.229 10.524 2.199 1.00 0.52 H new ATOM 0 HA SER B 73 6.774 8.384 3.997 1.00 0.57 H new ATOM 0 HB2 SER B 73 5.341 7.112 2.418 1.00 0.65 H new ATOM 0 HB3 SER B 73 4.618 8.651 2.840 1.00 0.65 H new ATOM 0 HG SER B 73 4.450 8.384 0.620 1.00 1.39 H new ATOM 2687 N VAL B 74 8.573 8.312 1.232 1.00 0.58 N ATOM 2688 CA VAL B 74 9.796 7.660 0.720 1.00 0.61 C ATOM 2689 C VAL B 74 11.021 7.924 1.587 1.00 0.60 C ATOM 2690 O VAL B 74 11.900 7.071 1.614 1.00 0.64 O ATOM 2691 CB VAL B 74 10.165 7.976 -0.741 1.00 0.66 C ATOM 2692 CG1 VAL B 74 9.048 7.547 -1.682 1.00 0.72 C ATOM 2693 CG2 VAL B 74 10.628 9.409 -1.028 1.00 0.65 C ATOM 0 H VAL B 74 8.248 9.103 0.675 1.00 0.58 H new ATOM 0 HA VAL B 74 9.519 6.607 0.763 1.00 0.61 H new ATOM 0 HB VAL B 74 11.058 7.381 -0.932 1.00 0.66 H new ATOM 0 HG11 VAL B 74 9.329 7.779 -2.709 1.00 0.72 H new ATOM 0 HG12 VAL B 74 8.882 6.474 -1.585 1.00 0.72 H new ATOM 0 HG13 VAL B 74 8.132 8.080 -1.427 1.00 0.72 H new ATOM 0 HG21 VAL B 74 10.860 9.511 -2.088 1.00 0.65 H new ATOM 0 HG22 VAL B 74 9.835 10.108 -0.761 1.00 0.65 H new ATOM 0 HG23 VAL B 74 11.519 9.628 -0.439 1.00 0.65 H new ATOM 2703 N PHE B 75 11.087 9.059 2.293 1.00 0.57 N ATOM 2704 CA PHE B 75 12.143 9.366 3.251 1.00 0.55 C ATOM 2705 C PHE B 75 12.014 8.477 4.487 1.00 0.56 C ATOM 2706 O PHE B 75 12.979 7.810 4.838 1.00 0.61 O ATOM 2707 CB PHE B 75 12.068 10.855 3.613 1.00 0.53 C ATOM 2708 CG PHE B 75 13.266 11.406 4.352 1.00 0.50 C ATOM 2709 CD1 PHE B 75 13.593 10.974 5.652 1.00 2.05 C ATOM 2710 CD2 PHE B 75 14.038 12.413 3.744 1.00 1.84 C ATOM 2711 CE1 PHE B 75 14.659 11.566 6.345 1.00 2.15 C ATOM 2712 CE2 PHE B 75 15.093 13.010 4.444 1.00 1.77 C ATOM 2713 CZ PHE B 75 15.396 12.599 5.752 1.00 0.64 C ATOM 0 H PHE B 75 10.392 9.801 2.209 1.00 0.57 H new ATOM 0 HA PHE B 75 13.119 9.163 2.809 1.00 0.55 H new ATOM 0 HB2 PHE B 75 11.934 11.428 2.695 1.00 0.53 H new ATOM 0 HB3 PHE B 75 11.180 11.018 4.223 1.00 0.53 H new ATOM 0 HD1 PHE B 75 13.021 10.184 6.117 1.00 2.05 H new ATOM 0 HD2 PHE B 75 13.816 12.726 2.735 1.00 1.84 H new ATOM 0 HE1 PHE B 75 14.912 11.225 7.338 1.00 2.15 H new ATOM 0 HE2 PHE B 75 15.676 13.790 3.976 1.00 1.77 H new ATOM 0 HZ PHE B 75 16.195 13.078 6.299 1.00 0.64 H new ATOM 2723 N LEU B 76 10.835 8.399 5.120 1.00 0.54 N ATOM 2724 CA LEU B 76 10.612 7.532 6.286 1.00 0.53 C ATOM 2725 C LEU B 76 10.878 6.056 5.974 1.00 0.56 C ATOM 2726 O LEU B 76 11.540 5.369 6.753 1.00 0.58 O ATOM 2727 CB LEU B 76 9.171 7.719 6.774 1.00 0.54 C ATOM 2728 CG LEU B 76 8.888 9.066 7.466 1.00 0.59 C ATOM 2729 CD1 LEU B 76 7.418 9.034 7.895 1.00 1.10 C ATOM 2730 CD2 LEU B 76 9.833 9.302 8.654 1.00 1.00 C ATOM 0 H LEU B 76 10.012 8.933 4.840 1.00 0.54 H new ATOM 0 HA LEU B 76 11.318 7.821 7.065 1.00 0.53 H new ATOM 0 HB2 LEU B 76 8.499 7.617 5.922 1.00 0.54 H new ATOM 0 HB3 LEU B 76 8.931 6.914 7.468 1.00 0.54 H new ATOM 0 HG LEU B 76 9.069 9.899 6.787 1.00 0.59 H new ATOM 0 HD11 LEU B 76 7.164 9.970 8.393 1.00 1.10 H new ATOM 0 HD12 LEU B 76 6.785 8.907 7.017 1.00 1.10 H new ATOM 0 HD13 LEU B 76 7.257 8.202 8.581 1.00 1.10 H new ATOM 0 HD21 LEU B 76 9.603 10.262 9.117 1.00 1.00 H new ATOM 0 HD22 LEU B 76 9.703 8.505 9.387 1.00 1.00 H new ATOM 0 HD23 LEU B 76 10.865 9.306 8.303 1.00 1.00 H new ATOM 2742 N THR B 77 10.441 5.607 4.792 1.00 0.57 N ATOM 2743 CA THR B 77 10.775 4.300 4.219 1.00 0.58 C ATOM 2744 C THR B 77 12.288 4.130 4.111 1.00 0.62 C ATOM 2745 O THR B 77 12.840 3.182 4.653 1.00 0.69 O ATOM 2746 CB THR B 77 10.085 4.154 2.858 1.00 0.61 C ATOM 2747 OG1 THR B 77 8.697 4.202 3.053 1.00 0.66 O ATOM 2748 CG2 THR B 77 10.431 2.841 2.161 1.00 0.72 C ATOM 0 H THR B 77 9.828 6.159 4.192 1.00 0.57 H new ATOM 0 HA THR B 77 10.413 3.508 4.875 1.00 0.58 H new ATOM 0 HB THR B 77 10.434 4.968 2.223 1.00 0.61 H new ATOM 0 HG1 THR B 77 8.382 5.123 2.938 1.00 0.66 H new ATOM 0 HG21 THR B 77 9.915 2.791 1.202 1.00 0.72 H new ATOM 0 HG22 THR B 77 11.507 2.789 1.997 1.00 0.72 H new ATOM 0 HG23 THR B 77 10.118 2.004 2.785 1.00 0.72 H new ATOM 2756 N MET B 78 12.968 5.071 3.458 1.00 0.62 N ATOM 2757 CA MET B 78 14.414 5.042 3.194 1.00 0.65 C ATOM 2758 C MET B 78 15.283 5.120 4.454 1.00 0.66 C ATOM 2759 O MET B 78 16.346 4.508 4.506 1.00 0.78 O ATOM 2760 CB MET B 78 14.687 6.204 2.237 1.00 0.65 C ATOM 2761 CG MET B 78 16.114 6.341 1.734 1.00 0.87 C ATOM 2762 SD MET B 78 16.206 7.193 0.135 1.00 1.15 S ATOM 2763 CE MET B 78 15.478 8.793 0.588 1.00 1.05 C ATOM 0 H MET B 78 12.516 5.905 3.083 1.00 0.62 H new ATOM 0 HA MET B 78 14.690 4.081 2.759 1.00 0.65 H new ATOM 0 HB2 MET B 78 14.029 6.099 1.374 1.00 0.65 H new ATOM 0 HB3 MET B 78 14.410 7.132 2.738 1.00 0.65 H new ATOM 0 HG2 MET B 78 16.704 6.889 2.469 1.00 0.87 H new ATOM 0 HG3 MET B 78 16.560 5.351 1.641 1.00 0.87 H new ATOM 0 HE1 MET B 78 15.982 9.590 0.041 1.00 1.05 H new ATOM 0 HE2 MET B 78 14.417 8.795 0.336 1.00 1.05 H new ATOM 0 HE3 MET B 78 15.597 8.957 1.659 1.00 1.05 H new ATOM 2773 N LEU B 79 14.830 5.851 5.472 1.00 0.62 N ATOM 2774 CA LEU B 79 15.490 5.959 6.769 1.00 0.68 C ATOM 2775 C LEU B 79 15.278 4.711 7.625 1.00 0.71 C ATOM 2776 O LEU B 79 16.225 4.228 8.228 1.00 0.79 O ATOM 2777 CB LEU B 79 15.002 7.233 7.485 1.00 0.76 C ATOM 2778 CG LEU B 79 15.625 7.422 8.886 1.00 0.95 C ATOM 2779 CD1 LEU B 79 17.163 7.446 8.838 1.00 1.21 C ATOM 2780 CD2 LEU B 79 15.106 8.728 9.507 1.00 1.98 C ATOM 0 H LEU B 79 13.971 6.398 5.414 1.00 0.62 H new ATOM 0 HA LEU B 79 16.565 6.035 6.608 1.00 0.68 H new ATOM 0 HB2 LEU B 79 15.239 8.101 6.869 1.00 0.76 H new ATOM 0 HB3 LEU B 79 13.917 7.196 7.579 1.00 0.76 H new ATOM 0 HG LEU B 79 15.329 6.570 9.498 1.00 0.95 H new ATOM 0 HD11 LEU B 79 17.556 7.581 9.846 1.00 1.21 H new ATOM 0 HD12 LEU B 79 17.529 6.504 8.429 1.00 1.21 H new ATOM 0 HD13 LEU B 79 17.494 8.270 8.206 1.00 1.21 H new ATOM 0 HD21 LEU B 79 15.546 8.861 10.495 1.00 1.98 H new ATOM 0 HD22 LEU B 79 15.383 9.569 8.871 1.00 1.98 H new ATOM 0 HD23 LEU B 79 14.021 8.682 9.596 1.00 1.98 H new ATOM 2792 N CYS B 80 14.066 4.151 7.678 1.00 0.72 N ATOM 2793 CA CYS B 80 13.805 2.939 8.465 1.00 0.88 C ATOM 2794 C CYS B 80 14.470 1.696 7.823 1.00 0.88 C ATOM 2795 O CYS B 80 15.073 0.865 8.497 1.00 0.94 O ATOM 2796 CB CYS B 80 12.284 2.830 8.662 1.00 1.12 C ATOM 2797 SG CYS B 80 11.931 1.935 10.201 1.00 1.91 S ATOM 0 H CYS B 80 13.250 4.516 7.186 1.00 0.72 H new ATOM 0 HA CYS B 80 14.264 2.997 9.452 1.00 0.88 H new ATOM 0 HB2 CYS B 80 11.840 3.825 8.698 1.00 1.12 H new ATOM 0 HB3 CYS B 80 11.834 2.310 7.816 1.00 1.12 H new ATOM 0 HG CYS B 80 12.988 1.275 10.571 1.00 1.91 H new ATOM 2803 N MET B 81 14.487 1.626 6.489 1.00 0.90 N ATOM 2804 CA MET B 81 15.246 0.621 5.733 1.00 0.98 C ATOM 2805 C MET B 81 16.769 0.784 5.886 1.00 0.95 C ATOM 2806 O MET B 81 17.487 -0.190 5.664 1.00 1.05 O ATOM 2807 CB MET B 81 14.808 0.657 4.262 1.00 1.07 C ATOM 2808 CG MET B 81 15.055 -0.684 3.562 1.00 1.77 C ATOM 2809 SD MET B 81 15.337 -0.516 1.787 1.00 2.27 S ATOM 2810 CE MET B 81 17.107 -0.156 1.872 1.00 3.00 C ATOM 0 H MET B 81 13.968 2.273 5.895 1.00 0.90 H new ATOM 0 HA MET B 81 15.020 -0.361 6.148 1.00 0.98 H new ATOM 0 HB2 MET B 81 13.749 0.908 4.204 1.00 1.07 H new ATOM 0 HB3 MET B 81 15.351 1.445 3.740 1.00 1.07 H new ATOM 0 HG2 MET B 81 15.918 -1.170 4.016 1.00 1.77 H new ATOM 0 HG3 MET B 81 14.198 -1.337 3.727 1.00 1.77 H new ATOM 0 HE1 MET B 81 17.498 -0.013 0.865 1.00 3.00 H new ATOM 0 HE2 MET B 81 17.266 0.751 2.455 1.00 3.00 H new ATOM 0 HE3 MET B 81 17.625 -0.989 2.347 1.00 3.00 H new ATOM 2820 N ALA B 82 17.276 1.950 6.315 1.00 0.92 N ATOM 2821 CA ALA B 82 18.708 2.169 6.544 1.00 0.96 C ATOM 2822 C ALA B 82 19.321 1.305 7.672 1.00 0.96 C ATOM 2823 O ALA B 82 20.541 1.284 7.823 1.00 1.15 O ATOM 2824 CB ALA B 82 18.980 3.658 6.784 1.00 1.09 C ATOM 0 H ALA B 82 16.700 2.769 6.513 1.00 0.92 H new ATOM 0 HA ALA B 82 19.210 1.840 5.634 1.00 0.96 H new ATOM 0 HB1 ALA B 82 20.046 3.811 6.953 1.00 1.09 H new ATOM 0 HB2 ALA B 82 18.665 4.231 5.911 1.00 1.09 H new ATOM 0 HB3 ALA B 82 18.422 3.993 7.658 1.00 1.09 H new ATOM 2830 N TYR B 83 18.502 0.612 8.474 1.00 0.96 N ATOM 2831 CA TYR B 83 18.967 -0.139 9.654 1.00 1.05 C ATOM 2832 C TYR B 83 18.052 -1.285 10.128 1.00 1.13 C ATOM 2833 O TYR B 83 18.273 -1.835 11.213 1.00 1.52 O ATOM 2834 CB TYR B 83 19.234 0.861 10.785 1.00 1.14 C ATOM 2835 CG TYR B 83 18.089 1.815 11.088 1.00 1.10 C ATOM 2836 CD1 TYR B 83 16.915 1.367 11.723 1.00 1.92 C ATOM 2837 CD2 TYR B 83 18.214 3.174 10.738 1.00 2.00 C ATOM 2838 CE1 TYR B 83 15.853 2.260 11.970 1.00 1.86 C ATOM 2839 CE2 TYR B 83 17.169 4.073 10.999 1.00 2.24 C ATOM 2840 CZ TYR B 83 15.978 3.618 11.603 1.00 1.41 C ATOM 2841 OH TYR B 83 14.945 4.477 11.818 1.00 1.68 O ATOM 0 H TYR B 83 17.495 0.554 8.325 1.00 0.96 H new ATOM 0 HA TYR B 83 19.877 -0.657 9.351 1.00 1.05 H new ATOM 0 HB2 TYR B 83 19.472 0.305 11.692 1.00 1.14 H new ATOM 0 HB3 TYR B 83 20.117 1.447 10.529 1.00 1.14 H new ATOM 0 HD1 TYR B 83 16.828 0.333 12.023 1.00 1.92 H new ATOM 0 HD2 TYR B 83 19.120 3.526 10.266 1.00 2.00 H new ATOM 0 HE1 TYR B 83 14.946 1.907 12.439 1.00 1.86 H new ATOM 0 HE2 TYR B 83 17.277 5.115 10.737 1.00 2.24 H new ATOM 0 HH TYR B 83 15.195 5.373 11.510 1.00 1.68 H new ATOM 2851 N ASN B 84 17.022 -1.641 9.354 1.00 1.06 N ATOM 2852 CA ASN B 84 16.156 -2.788 9.637 1.00 1.20 C ATOM 2853 C ASN B 84 16.738 -4.085 9.066 1.00 1.24 C ATOM 2854 O ASN B 84 16.162 -4.716 8.176 1.00 1.61 O ATOM 2855 CB ASN B 84 14.728 -2.527 9.154 1.00 1.38 C ATOM 2856 CG ASN B 84 13.951 -1.535 10.001 1.00 2.17 C ATOM 2857 OD1 ASN B 84 14.277 -1.215 11.137 1.00 3.20 O ATOM 2858 ND2 ASN B 84 12.841 -1.058 9.472 1.00 2.49 N ATOM 0 H ASN B 84 16.764 -1.136 8.506 1.00 1.06 H new ATOM 0 HA ASN B 84 16.110 -2.919 10.718 1.00 1.20 H new ATOM 0 HB2 ASN B 84 14.766 -2.159 8.129 1.00 1.38 H new ATOM 0 HB3 ASN B 84 14.186 -3.472 9.134 1.00 1.38 H new ATOM 0 HD21 ASN B 84 12.253 -0.421 10.009 1.00 2.49 H new ATOM 0 HD22 ASN B 84 12.571 -1.326 8.525 1.00 2.49 H new ATOM 2865 N ASP B 85 17.863 -4.512 9.638 1.00 1.46 N ATOM 2866 CA ASP B 85 18.569 -5.751 9.297 1.00 1.59 C ATOM 2867 C ASP B 85 17.684 -7.004 9.422 1.00 1.85 C ATOM 2868 O ASP B 85 17.923 -7.994 8.734 1.00 2.21 O ATOM 2869 CB ASP B 85 19.822 -5.877 10.193 1.00 2.28 C ATOM 2870 CG ASP B 85 20.951 -4.894 9.844 1.00 3.06 C ATOM 2871 OD1 ASP B 85 20.660 -3.793 9.322 1.00 3.73 O ATOM 2872 OD2 ASP B 85 22.131 -5.262 10.038 1.00 4.07 O ATOM 0 H ASP B 85 18.327 -3.987 10.379 1.00 1.46 H new ATOM 0 HA ASP B 85 18.858 -5.692 8.248 1.00 1.59 H new ATOM 0 HB2 ASP B 85 19.529 -5.722 11.231 1.00 2.28 H new ATOM 0 HB3 ASP B 85 20.206 -6.894 10.119 1.00 2.28 H new