USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 982 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 HIS : no HE2:sc= -0.751 K(o=-0.45,f=-3!) USER MOD Set 1.2: A 98 CYS SG : rot 134:sc= 0.297 USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0.622 USER MOD Set 2.2: A 53 TYR OH : rot 13:sc= 0.685 USER MOD Set 3.1: A 52 SER OG : rot -115:sc= 0.139 USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -30:sc= 0.0716 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 42:sc= 1.24 USER MOD Single : A 18 THR OG1 : rot 170:sc= -0.548 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.93) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0.716 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -163:sc= -0.121 (180deg=-0.533) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 77 SER OG : rot -79:sc= 0.405 USER MOD Single : A 79 THR OG1 : rot -76:sc= -2.2! USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.0613 (180deg=-0.424) USER MOD Single : A 87 ASN : amide:sc= -1.38 K(o=-1.4,f=-7.8!) USER MOD Single : A 88 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.052) USER MOD Single : A 89 LYS NZ :NH3+ -169:sc=-0.00985 (180deg=-0.179) USER MOD Single : A 91 HIS : no HD1:sc=-0.00137 X(o=-0.0014,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HE2:sc= -0.878 K(o=-0.88,f=-1.7) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0284 (180deg=-0.241) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc=-0.00618 (180deg=-0.129) USER MOD Single : A 105 GLN : amide:sc= -0.0647 K(o=-0.065,f=-0.82) USER MOD Single : A 111 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-2.2) USER MOD Single : A 112 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.5!) USER MOD Single : A 113 MET CE :methyl -108:sc= -0.192 (180deg=-1.44) USER MOD Single : A 114 HIS : no HD1:sc=-0.00777 X(o=-0.0078,f=-0.31) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.436 K(o=-0.44,f=-6.1!) USER MOD Single : A 117 CYS SG : rot -156:sc= -0.296 USER MOD Single : A 119 SER OG : rot -115:sc= 0.331 USER MOD Single : A 122 CYS SG : rot 150:sc= -0.435 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 71:sc= 0.801 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.68) USER MOD Single : A 136 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0.042) USER MOD Single : A 141 LYS NZ :NH3+ 164:sc= -0.0545 (180deg=-0.351) USER MOD Single : A 150 THR OG1 : rot 24:sc= 0.0845 USER MOD Single : A 152 ASN : amide:sc= 0.307 K(o=0.31,f=-2.4!) USER MOD Single : A 156 LYS NZ :NH3+ 166:sc= -0.0275 (180deg=-0.213) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 46:sc= 0.828 USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 14.410 6.374 -8.091 1.00 0.67 N ATOM 92 CA SER A 7 13.564 6.843 -9.183 1.00 0.69 C ATOM 93 C SER A 7 12.389 5.888 -9.405 1.00 0.58 C ATOM 94 O SER A 7 12.528 4.678 -9.228 1.00 0.54 O ATOM 95 CB SER A 7 14.382 6.973 -10.467 1.00 0.81 C ATOM 96 OG SER A 7 14.969 5.735 -10.829 1.00 1.60 O ATOM 0 HA SER A 7 13.169 7.822 -8.913 1.00 0.69 H new ATOM 0 HB2 SER A 7 13.741 7.325 -11.275 1.00 0.81 H new ATOM 0 HB3 SER A 7 15.162 7.722 -10.330 1.00 0.81 H new ATOM 0 HG SER A 7 15.142 5.207 -10.022 1.00 1.60 H new ATOM 102 N PRO A 8 11.215 6.419 -9.796 1.00 0.57 N ATOM 103 CA PRO A 8 10.022 5.600 -10.037 1.00 0.48 C ATOM 104 C PRO A 8 10.136 4.767 -11.307 1.00 0.47 C ATOM 105 O PRO A 8 10.439 5.288 -12.380 1.00 0.58 O ATOM 106 CB PRO A 8 8.904 6.635 -10.172 1.00 0.49 C ATOM 107 CG PRO A 8 9.587 7.864 -10.662 1.00 0.69 C ATOM 108 CD PRO A 8 10.955 7.854 -10.036 1.00 0.67 C ATOM 0 HA PRO A 8 9.857 4.876 -9.239 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.138 6.302 -10.872 1.00 0.49 H new ATOM 0 HB3 PRO A 8 8.409 6.811 -9.217 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.655 7.865 -11.750 1.00 0.69 H new ATOM 0 HG3 PRO A 8 9.033 8.759 -10.376 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.702 8.292 -10.698 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.976 8.426 -9.109 1.00 0.67 H new ATOM 116 N ILE A 9 9.889 3.468 -11.176 1.00 0.41 N ATOM 117 CA ILE A 9 9.962 2.552 -12.305 1.00 0.46 C ATOM 118 C ILE A 9 8.759 2.718 -13.229 1.00 0.45 C ATOM 119 O ILE A 9 8.901 2.743 -14.452 1.00 0.53 O ATOM 120 CB ILE A 9 10.039 1.087 -11.832 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.226 0.908 -10.884 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.155 0.149 -13.025 1.00 0.65 C ATOM 123 CD1 ILE A 9 11.367 -0.498 -10.345 1.00 1.53 C ATOM 0 H ILE A 9 9.635 3.025 -10.293 1.00 0.41 H new ATOM 0 HA ILE A 9 10.871 2.797 -12.855 1.00 0.46 H new ATOM 0 HB ILE A 9 9.124 0.839 -11.295 1.00 0.48 H new ATOM 0 HG12 ILE A 9 12.142 1.180 -11.408 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.119 1.599 -10.048 1.00 0.51 H new ATOM 0 HG21 ILE A 9 10.208 -0.881 -12.674 1.00 0.65 H new ATOM 0 HG22 ILE A 9 9.283 0.269 -13.668 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.057 0.387 -13.589 1.00 0.65 H new ATOM 0 HD11 ILE A 9 12.230 -0.548 -9.681 1.00 1.53 H new ATOM 0 HD12 ILE A 9 10.467 -0.768 -9.792 1.00 1.53 H new ATOM 0 HD13 ILE A 9 11.506 -1.193 -11.173 1.00 1.53 H new ATOM 135 N THR A 10 7.575 2.833 -12.637 1.00 0.41 N ATOM 136 CA THR A 10 6.346 2.998 -13.406 1.00 0.42 C ATOM 137 C THR A 10 5.189 3.414 -12.509 1.00 0.31 C ATOM 138 O THR A 10 5.153 3.071 -11.327 1.00 0.28 O ATOM 139 CB THR A 10 5.969 1.704 -14.153 1.00 0.52 C ATOM 140 OG1 THR A 10 4.769 1.904 -14.908 1.00 0.54 O ATOM 141 CG2 THR A 10 5.774 0.552 -13.178 1.00 0.53 C ATOM 0 H THR A 10 7.440 2.815 -11.626 1.00 0.41 H new ATOM 0 HA THR A 10 6.534 3.784 -14.137 1.00 0.42 H new ATOM 0 HB THR A 10 6.786 1.452 -14.830 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.538 1.077 -15.381 1.00 0.54 H new ATOM 0 HG21 THR A 10 5.509 -0.350 -13.729 1.00 0.53 H new ATOM 0 HG22 THR A 10 6.699 0.382 -12.627 1.00 0.53 H new ATOM 0 HG23 THR A 10 4.975 0.798 -12.479 1.00 0.53 H new ATOM 149 N GLU A 11 4.244 4.153 -13.079 1.00 0.34 N ATOM 150 CA GLU A 11 3.090 4.624 -12.328 1.00 0.27 C ATOM 151 C GLU A 11 1.808 4.478 -13.142 1.00 0.23 C ATOM 152 O GLU A 11 1.808 4.680 -14.356 1.00 0.32 O ATOM 153 CB GLU A 11 3.289 6.085 -11.927 1.00 0.35 C ATOM 154 CG GLU A 11 2.266 6.578 -10.923 1.00 1.07 C ATOM 155 CD GLU A 11 2.527 8.000 -10.470 1.00 1.05 C ATOM 156 OE1 GLU A 11 2.016 8.936 -11.122 1.00 1.46 O ATOM 157 OE2 GLU A 11 3.241 8.180 -9.461 1.00 0.76 O ATOM 0 H GLU A 11 4.256 4.438 -14.058 1.00 0.34 H new ATOM 0 HA GLU A 11 2.995 4.012 -11.431 1.00 0.27 H new ATOM 0 HB2 GLU A 11 4.287 6.206 -11.507 1.00 0.35 H new ATOM 0 HB3 GLU A 11 3.241 6.709 -12.820 1.00 0.35 H new ATOM 0 HG2 GLU A 11 1.272 6.519 -11.365 1.00 1.07 H new ATOM 0 HG3 GLU A 11 2.268 5.919 -10.055 1.00 1.07 H new ATOM 164 N TYR A 12 0.718 4.125 -12.465 1.00 0.33 N ATOM 165 CA TYR A 12 -0.570 3.954 -13.131 1.00 0.46 C ATOM 166 C TYR A 12 -1.709 3.871 -12.118 1.00 0.33 C ATOM 167 O TYR A 12 -1.477 3.777 -10.911 1.00 0.28 O ATOM 168 CB TYR A 12 -0.555 2.695 -14.002 1.00 0.67 C ATOM 169 CG TYR A 12 -0.222 1.431 -13.239 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.096 1.020 -13.076 1.00 0.71 C ATOM 171 CD2 TYR A 12 -1.226 0.651 -12.683 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.401 -0.133 -12.380 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.929 -0.503 -11.985 1.00 1.16 C ATOM 174 CZ TYR A 12 0.395 -0.892 -11.841 1.00 1.50 C ATOM 175 OH TYR A 12 0.684 -2.041 -11.142 1.00 2.11 O ATOM 0 H TYR A 12 0.701 3.952 -11.460 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.737 4.826 -13.763 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -1.531 2.578 -14.473 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.172 2.827 -14.804 1.00 0.67 H new ATOM 0 HD1 TYR A 12 1.894 1.612 -13.500 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -2.257 0.951 -12.798 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.431 -0.436 -12.261 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.721 -1.098 -11.555 1.00 1.16 H new ATOM 0 HH TYR A 12 -0.149 -2.452 -10.830 1.00 2.11 H new ATOM 185 N LEU A 13 -2.939 3.908 -12.621 1.00 0.42 N ATOM 186 CA LEU A 13 -4.122 3.833 -11.771 1.00 0.35 C ATOM 187 C LEU A 13 -4.527 2.382 -11.532 1.00 0.29 C ATOM 188 O LEU A 13 -4.584 1.583 -12.466 1.00 0.35 O ATOM 189 CB LEU A 13 -5.284 4.600 -12.407 1.00 0.45 C ATOM 190 CG LEU A 13 -5.039 6.094 -12.626 1.00 0.59 C ATOM 191 CD1 LEU A 13 -6.216 6.727 -13.353 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.792 6.795 -11.299 1.00 0.93 C ATOM 0 H LEU A 13 -3.143 3.990 -13.617 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.878 4.288 -10.811 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.517 4.142 -13.368 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -6.165 4.482 -11.776 1.00 0.45 H new ATOM 0 HG LEU A 13 -4.150 6.209 -13.246 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -6.024 7.790 -13.500 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -6.347 6.245 -14.322 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -7.121 6.601 -12.759 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -4.620 7.857 -11.475 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.662 6.670 -10.654 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.917 6.361 -10.815 1.00 0.93 H new ATOM 204 N ALA A 14 -4.807 2.052 -10.276 1.00 0.22 N ATOM 205 CA ALA A 14 -5.205 0.697 -9.911 1.00 0.20 C ATOM 206 C ALA A 14 -5.954 0.685 -8.583 1.00 0.20 C ATOM 207 O ALA A 14 -5.511 1.287 -7.605 1.00 0.32 O ATOM 208 CB ALA A 14 -3.985 -0.212 -9.842 1.00 0.30 C ATOM 0 H ALA A 14 -4.766 2.704 -9.493 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.879 0.322 -10.681 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.297 -1.220 -9.569 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.493 -0.236 -10.815 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.290 0.168 -9.093 1.00 0.30 H new ATOM 214 N SER A 15 -7.089 -0.003 -8.556 1.00 0.27 N ATOM 215 CA SER A 15 -7.902 -0.092 -7.347 1.00 0.32 C ATOM 216 C SER A 15 -7.555 -1.341 -6.546 1.00 0.30 C ATOM 217 O SER A 15 -7.407 -2.429 -7.103 1.00 0.29 O ATOM 218 CB SER A 15 -9.388 -0.105 -7.706 1.00 0.40 C ATOM 219 OG SER A 15 -9.709 -1.231 -8.506 1.00 1.30 O ATOM 0 H SER A 15 -7.468 -0.508 -9.357 1.00 0.27 H new ATOM 0 HA SER A 15 -7.688 0.783 -6.734 1.00 0.32 H new ATOM 0 HB2 SER A 15 -9.986 -0.120 -6.795 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.644 0.810 -8.240 1.00 0.40 H new ATOM 0 HG SER A 15 -10.665 -1.218 -8.721 1.00 1.30 H new ATOM 225 N LEU A 16 -7.426 -1.176 -5.233 1.00 0.31 N ATOM 226 CA LEU A 16 -7.103 -2.292 -4.350 1.00 0.30 C ATOM 227 C LEU A 16 -8.342 -3.145 -4.092 1.00 0.29 C ATOM 228 O LEU A 16 -9.388 -2.629 -3.697 1.00 0.37 O ATOM 229 CB LEU A 16 -6.541 -1.780 -3.017 1.00 0.34 C ATOM 230 CG LEU A 16 -5.116 -1.212 -3.060 1.00 0.35 C ATOM 231 CD1 LEU A 16 -4.134 -2.247 -3.589 1.00 1.11 C ATOM 232 CD2 LEU A 16 -5.060 0.060 -3.896 1.00 0.98 C ATOM 0 H LEU A 16 -7.540 -0.281 -4.757 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.346 -2.904 -4.841 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.208 -1.006 -2.638 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.563 -2.599 -2.298 1.00 0.34 H new ATOM 0 HG LEU A 16 -4.827 -0.959 -2.040 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -3.131 -1.820 -3.610 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -4.142 -3.122 -2.939 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -4.424 -2.541 -4.598 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -4.039 0.442 -3.910 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -5.379 -0.160 -4.915 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -5.722 0.810 -3.462 1.00 0.98 H new ATOM 244 N SER A 17 -8.223 -4.448 -4.329 1.00 0.21 N ATOM 245 CA SER A 17 -9.340 -5.363 -4.114 1.00 0.21 C ATOM 246 C SER A 17 -8.941 -6.516 -3.198 1.00 0.19 C ATOM 247 O SER A 17 -7.942 -7.192 -3.434 1.00 0.22 O ATOM 248 CB SER A 17 -9.839 -5.913 -5.454 1.00 0.25 C ATOM 249 OG SER A 17 -10.775 -6.958 -5.260 1.00 0.98 O ATOM 0 H SER A 17 -7.370 -4.892 -4.668 1.00 0.21 H new ATOM 0 HA SER A 17 -10.142 -4.805 -3.632 1.00 0.21 H new ATOM 0 HB2 SER A 17 -10.299 -5.111 -6.031 1.00 0.25 H new ATOM 0 HB3 SER A 17 -8.994 -6.281 -6.037 1.00 0.25 H new ATOM 0 HG SER A 17 -11.383 -6.721 -4.529 1.00 0.98 H new ATOM 255 N THR A 18 -9.735 -6.738 -2.152 1.00 0.18 N ATOM 256 CA THR A 18 -9.474 -7.817 -1.209 1.00 0.19 C ATOM 257 C THR A 18 -9.613 -9.174 -1.886 1.00 0.21 C ATOM 258 O THR A 18 -10.153 -9.275 -2.988 1.00 0.31 O ATOM 259 CB THR A 18 -10.440 -7.756 -0.013 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.766 -8.090 -0.436 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.437 -6.369 0.610 1.00 0.18 C ATOM 0 H THR A 18 -10.564 -6.183 -1.939 1.00 0.18 H new ATOM 0 HA THR A 18 -8.452 -7.691 -0.851 1.00 0.19 H new ATOM 0 HB THR A 18 -10.106 -8.476 0.734 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.340 -8.207 0.349 1.00 0.23 H new ATOM 0 HG21 THR A 18 -11.127 -6.348 1.454 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.432 -6.128 0.957 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.750 -5.636 -0.133 1.00 0.18 H new ATOM 269 N TYR A 19 -9.129 -10.219 -1.220 1.00 0.21 N ATOM 270 CA TYR A 19 -9.205 -11.570 -1.762 1.00 0.23 C ATOM 271 C TYR A 19 -10.656 -12.028 -1.874 1.00 0.24 C ATOM 272 O TYR A 19 -10.957 -13.014 -2.546 1.00 0.29 O ATOM 273 CB TYR A 19 -8.409 -12.540 -0.885 1.00 0.28 C ATOM 274 CG TYR A 19 -8.208 -13.900 -1.513 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.316 -14.078 -2.562 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.911 -15.007 -1.055 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.131 -15.321 -3.138 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.730 -16.254 -1.625 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.834 -16.402 -2.670 1.00 0.45 C ATOM 280 OH TYR A 19 -7.657 -17.643 -3.237 1.00 0.52 O ATOM 0 H TYR A 19 -8.681 -10.155 -0.306 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.770 -11.562 -2.762 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.435 -12.103 -0.666 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.925 -12.662 0.068 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -6.758 -13.232 -2.934 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.611 -14.892 -0.240 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.435 -15.441 -3.955 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -9.283 -17.106 -1.258 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.232 -18.295 -2.784 1.00 0.52 H new ATOM 290 N ASN A 20 -11.552 -11.302 -1.209 1.00 0.22 N ATOM 291 CA ASN A 20 -12.976 -11.625 -1.236 1.00 0.27 C ATOM 292 C ASN A 20 -13.654 -10.986 -2.446 1.00 0.26 C ATOM 293 O ASN A 20 -14.867 -10.774 -2.451 1.00 0.30 O ATOM 294 CB ASN A 20 -13.653 -11.150 0.052 1.00 0.32 C ATOM 295 CG ASN A 20 -13.107 -11.842 1.285 1.00 1.21 C ATOM 296 OD1 ASN A 20 -12.158 -11.367 1.911 1.00 2.23 O ATOM 297 ND2 ASN A 20 -13.706 -12.972 1.643 1.00 1.58 N ATOM 0 H ASN A 20 -11.317 -10.486 -0.645 1.00 0.22 H new ATOM 0 HA ASN A 20 -13.077 -12.708 -1.313 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.518 -10.073 0.154 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -14.726 -11.331 -0.017 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -13.383 -13.482 2.465 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -14.489 -13.330 1.096 1.00 1.58 H new ATOM 304 N ASP A 21 -12.856 -10.680 -3.468 1.00 0.26 N ATOM 305 CA ASP A 21 -13.359 -10.063 -4.695 1.00 0.30 C ATOM 306 C ASP A 21 -13.987 -8.699 -4.415 1.00 0.31 C ATOM 307 O ASP A 21 -14.660 -8.132 -5.276 1.00 0.54 O ATOM 308 CB ASP A 21 -14.376 -10.974 -5.382 1.00 0.36 C ATOM 309 CG ASP A 21 -13.784 -12.315 -5.771 1.00 1.14 C ATOM 310 OD1 ASP A 21 -13.820 -13.244 -4.936 1.00 2.07 O ATOM 311 OD2 ASP A 21 -13.282 -12.436 -6.908 1.00 1.01 O ATOM 0 H ASP A 21 -11.850 -10.851 -3.470 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.508 -9.918 -5.360 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.224 -11.134 -4.716 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -14.760 -10.478 -6.273 1.00 0.36 H new ATOM 316 N GLN A 22 -13.764 -8.178 -3.214 1.00 0.22 N ATOM 317 CA GLN A 22 -14.304 -6.878 -2.835 1.00 0.21 C ATOM 318 C GLN A 22 -13.287 -5.778 -3.117 1.00 0.20 C ATOM 319 O GLN A 22 -12.092 -6.043 -3.212 1.00 0.29 O ATOM 320 CB GLN A 22 -14.686 -6.869 -1.354 1.00 0.22 C ATOM 321 CG GLN A 22 -15.672 -7.962 -0.975 1.00 0.30 C ATOM 322 CD GLN A 22 -16.154 -7.843 0.459 1.00 0.37 C ATOM 323 OE1 GLN A 22 -17.280 -8.222 0.780 1.00 1.13 O ATOM 324 NE2 GLN A 22 -15.302 -7.315 1.331 1.00 1.17 N ATOM 0 H GLN A 22 -13.214 -8.635 -2.487 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.199 -6.691 -3.429 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.783 -6.981 -0.754 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.117 -5.899 -1.104 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.529 -7.921 -1.647 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.202 -8.935 -1.117 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -14.378 -7.014 1.022 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -15.572 -7.211 2.309 1.00 1.17 H new ATOM 333 N SER A 23 -13.765 -4.546 -3.251 1.00 0.29 N ATOM 334 CA SER A 23 -12.884 -3.416 -3.530 1.00 0.31 C ATOM 335 C SER A 23 -12.883 -2.421 -2.377 1.00 0.26 C ATOM 336 O SER A 23 -13.844 -2.337 -1.613 1.00 0.23 O ATOM 337 CB SER A 23 -13.306 -2.717 -4.821 1.00 0.37 C ATOM 338 OG SER A 23 -12.316 -1.799 -5.249 1.00 1.17 O ATOM 0 H SER A 23 -14.753 -4.304 -3.172 1.00 0.29 H new ATOM 0 HA SER A 23 -11.872 -3.804 -3.649 1.00 0.31 H new ATOM 0 HB2 SER A 23 -13.480 -3.459 -5.600 1.00 0.37 H new ATOM 0 HB3 SER A 23 -14.249 -2.193 -4.664 1.00 0.37 H new ATOM 0 HG SER A 23 -12.608 -1.366 -6.078 1.00 1.17 H new ATOM 344 N ILE A 24 -11.796 -1.665 -2.260 1.00 0.28 N ATOM 345 CA ILE A 24 -11.662 -0.671 -1.201 1.00 0.26 C ATOM 346 C ILE A 24 -12.209 0.678 -1.658 1.00 0.26 C ATOM 347 O ILE A 24 -12.138 1.015 -2.841 1.00 0.45 O ATOM 348 CB ILE A 24 -10.189 -0.493 -0.775 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.486 -1.852 -0.657 1.00 0.32 C ATOM 350 CG2 ILE A 24 -10.107 0.272 0.539 1.00 0.31 C ATOM 351 CD1 ILE A 24 -10.073 -2.766 0.397 1.00 0.31 C ATOM 0 H ILE A 24 -10.994 -1.722 -2.887 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.236 -1.033 -0.348 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.677 0.085 -1.544 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.529 -2.355 -1.623 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.433 -1.685 -0.431 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -9.062 0.390 0.827 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.563 1.255 0.417 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.637 -0.280 1.315 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.518 -3.704 0.415 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -10.005 -2.286 1.373 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.118 -2.967 0.163 1.00 0.31 H new ATOM 363 N THR A 25 -12.749 1.449 -0.719 1.00 0.32 N ATOM 364 CA THR A 25 -13.308 2.757 -1.038 1.00 0.35 C ATOM 365 C THR A 25 -12.640 3.860 -0.223 1.00 0.38 C ATOM 366 O THR A 25 -12.327 3.678 0.953 1.00 0.46 O ATOM 367 CB THR A 25 -14.826 2.794 -0.781 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.468 1.725 -1.487 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.417 4.124 -1.222 1.00 0.44 C ATOM 0 H THR A 25 -12.811 1.191 0.266 1.00 0.32 H new ATOM 0 HA THR A 25 -13.119 2.930 -2.097 1.00 0.35 H new ATOM 0 HB THR A 25 -14.994 2.676 0.290 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.422 1.925 -1.587 1.00 0.40 H new ATOM 0 HG21 THR A 25 -16.490 4.127 -1.031 1.00 0.44 H new ATOM 0 HG22 THR A 25 -14.947 4.934 -0.664 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.238 4.266 -2.288 1.00 0.44 H new ATOM 377 N PHE A 26 -12.426 5.009 -0.861 1.00 0.37 N ATOM 378 CA PHE A 26 -11.797 6.150 -0.202 1.00 0.40 C ATOM 379 C PHE A 26 -12.675 7.391 -0.317 1.00 0.48 C ATOM 380 O PHE A 26 -12.577 8.145 -1.287 1.00 0.52 O ATOM 381 CB PHE A 26 -10.422 6.424 -0.812 1.00 0.39 C ATOM 382 CG PHE A 26 -9.500 5.239 -0.770 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.538 4.278 -1.766 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.595 5.086 0.269 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.694 3.184 -1.729 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.746 3.997 0.311 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.796 3.044 -0.689 1.00 0.39 C ATOM 0 H PHE A 26 -12.680 5.174 -1.835 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.674 5.908 0.854 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.549 6.739 -1.848 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -9.957 7.255 -0.281 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -10.236 4.385 -2.583 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -8.553 5.826 1.054 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.737 2.441 -2.511 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.044 3.890 1.125 1.00 0.38 H new ATOM 0 HZ PHE A 26 -7.134 2.191 -0.657 1.00 0.39 H new ATOM 397 N ALA A 27 -13.529 7.599 0.678 1.00 0.53 N ATOM 398 CA ALA A 27 -14.430 8.745 0.688 1.00 0.62 C ATOM 399 C ALA A 27 -13.745 9.980 1.264 1.00 0.64 C ATOM 400 O ALA A 27 -13.733 10.188 2.478 1.00 0.65 O ATOM 401 CB ALA A 27 -15.686 8.416 1.480 1.00 0.65 C ATOM 0 H ALA A 27 -13.617 6.988 1.490 1.00 0.53 H new ATOM 0 HA ALA A 27 -14.709 8.968 -0.342 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.352 9.279 1.481 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.193 7.567 1.022 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -15.414 8.166 2.506 1.00 0.65 H new ATOM 479 N TYR A 33 -11.878 11.720 6.707 1.00 0.57 N ATOM 480 CA TYR A 33 -11.263 10.625 5.964 1.00 0.50 C ATOM 481 C TYR A 33 -11.972 9.308 6.265 1.00 0.46 C ATOM 482 O TYR A 33 -11.717 8.676 7.290 1.00 0.59 O ATOM 483 CB TYR A 33 -9.779 10.512 6.315 1.00 0.53 C ATOM 484 CG TYR A 33 -9.008 11.797 6.111 1.00 0.60 C ATOM 485 CD1 TYR A 33 -8.496 12.133 4.864 1.00 0.58 C ATOM 486 CD2 TYR A 33 -8.794 12.675 7.166 1.00 0.72 C ATOM 487 CE1 TYR A 33 -7.791 13.306 4.674 1.00 0.67 C ATOM 488 CE2 TYR A 33 -8.090 13.851 6.983 1.00 0.80 C ATOM 489 CZ TYR A 33 -7.585 14.159 5.737 1.00 0.76 C ATOM 490 OH TYR A 33 -6.892 15.331 5.552 1.00 0.86 O ATOM 0 HA TYR A 33 -11.359 10.837 4.899 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.683 10.202 7.356 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.329 9.728 5.706 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -8.652 11.466 4.029 1.00 0.58 H new ATOM 0 HD2 TYR A 33 -9.184 12.435 8.144 1.00 0.72 H new ATOM 0 HE1 TYR A 33 -7.403 13.553 3.697 1.00 0.67 H new ATOM 0 HE2 TYR A 33 -7.936 14.526 7.812 1.00 0.80 H new ATOM 0 HH TYR A 33 -6.837 15.816 6.402 1.00 0.86 H new ATOM 500 N GLU A 34 -12.863 8.901 5.367 1.00 0.46 N ATOM 501 CA GLU A 34 -13.610 7.661 5.541 1.00 0.42 C ATOM 502 C GLU A 34 -13.112 6.576 4.592 1.00 0.39 C ATOM 503 O GLU A 34 -12.979 6.801 3.389 1.00 0.46 O ATOM 504 CB GLU A 34 -15.103 7.902 5.308 1.00 0.50 C ATOM 505 CG GLU A 34 -15.723 8.887 6.284 1.00 0.55 C ATOM 506 CD GLU A 34 -17.203 9.096 6.037 1.00 1.50 C ATOM 507 OE1 GLU A 34 -18.010 8.293 6.550 1.00 1.48 O ATOM 508 OE2 GLU A 34 -17.558 10.066 5.333 1.00 2.46 O ATOM 0 H GLU A 34 -13.085 9.411 4.512 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.453 7.321 6.565 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.248 8.270 4.292 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.631 6.951 5.381 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.575 8.526 7.302 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -15.207 9.844 6.207 1.00 0.55 H new ATOM 515 N ILE A 35 -12.837 5.399 5.145 1.00 0.34 N ATOM 516 CA ILE A 35 -12.365 4.269 4.354 1.00 0.32 C ATOM 517 C ILE A 35 -13.141 3.006 4.713 1.00 0.26 C ATOM 518 O ILE A 35 -13.222 2.631 5.882 1.00 0.32 O ATOM 519 CB ILE A 35 -10.859 4.010 4.564 1.00 0.39 C ATOM 520 CG1 ILE A 35 -10.054 5.281 4.282 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.390 2.870 3.669 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.577 5.150 4.591 1.00 0.54 C ATOM 0 H ILE A 35 -12.933 5.203 6.141 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.530 4.522 3.307 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.696 3.724 5.603 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.174 5.550 3.233 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.468 6.100 4.870 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.325 2.698 3.827 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -10.945 1.964 3.913 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.564 3.132 2.625 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -8.073 6.090 4.366 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.446 4.912 5.647 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.147 4.354 3.983 1.00 0.54 H new ATOM 534 N TYR A 36 -13.716 2.361 3.706 1.00 0.21 N ATOM 535 CA TYR A 36 -14.489 1.144 3.924 1.00 0.21 C ATOM 536 C TYR A 36 -14.417 0.226 2.709 1.00 0.23 C ATOM 537 O TYR A 36 -14.173 0.675 1.589 1.00 0.48 O ATOM 538 CB TYR A 36 -15.946 1.491 4.237 1.00 0.29 C ATOM 539 CG TYR A 36 -16.542 2.513 3.294 1.00 1.07 C ATOM 540 CD1 TYR A 36 -17.163 2.122 2.115 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.478 3.871 3.583 1.00 0.96 C ATOM 542 CE1 TYR A 36 -17.706 3.055 1.251 1.00 3.30 C ATOM 543 CE2 TYR A 36 -17.019 4.809 2.724 1.00 1.97 C ATOM 544 CZ TYR A 36 -17.631 4.396 1.561 1.00 3.14 C ATOM 545 OH TYR A 36 -18.169 5.329 0.703 1.00 4.17 O ATOM 0 H TYR A 36 -13.662 2.659 2.732 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.059 0.617 4.776 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.544 0.581 4.198 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.009 1.870 5.257 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -17.223 1.072 1.869 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -15.998 4.199 4.493 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -18.186 2.735 0.338 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -16.962 5.861 2.963 1.00 1.97 H new ATOM 0 HH TYR A 36 -18.033 6.228 1.070 1.00 4.17 H new ATOM 555 N VAL A 37 -14.632 -1.064 2.942 1.00 0.19 N ATOM 556 CA VAL A 37 -14.593 -2.054 1.873 1.00 0.17 C ATOM 557 C VAL A 37 -16.001 -2.448 1.439 1.00 0.18 C ATOM 558 O VAL A 37 -16.770 -3.000 2.226 1.00 0.27 O ATOM 559 CB VAL A 37 -13.835 -3.320 2.318 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.787 -4.346 1.195 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.434 -2.965 2.785 1.00 0.24 C ATOM 0 H VAL A 37 -14.836 -1.449 3.864 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.071 -1.597 1.032 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.373 -3.764 3.156 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -13.247 -5.230 1.533 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.802 -4.626 0.914 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.277 -3.917 0.332 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.913 -3.871 3.095 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.887 -2.494 1.969 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.495 -2.275 3.627 1.00 0.24 H new ATOM 571 N GLU A 38 -16.333 -2.162 0.183 1.00 0.24 N ATOM 572 CA GLU A 38 -17.651 -2.489 -0.352 1.00 0.27 C ATOM 573 C GLU A 38 -17.607 -3.793 -1.143 1.00 0.31 C ATOM 574 O GLU A 38 -16.550 -4.202 -1.627 1.00 0.39 O ATOM 575 CB GLU A 38 -18.161 -1.355 -1.242 1.00 0.29 C ATOM 576 CG GLU A 38 -18.338 -0.037 -0.505 1.00 0.33 C ATOM 577 CD GLU A 38 -19.000 1.026 -1.360 1.00 1.05 C ATOM 578 OE1 GLU A 38 -18.279 1.730 -2.096 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.241 1.152 -1.292 1.00 0.89 O ATOM 0 H GLU A 38 -15.709 -1.705 -0.482 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.335 -2.616 0.487 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.464 -1.210 -2.067 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.115 -1.648 -1.679 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -18.938 -0.203 0.390 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -17.364 0.323 -0.174 1.00 0.33 H new ATOM 586 N ASP A 39 -18.760 -4.442 -1.272 1.00 0.35 N ATOM 587 CA ASP A 39 -18.855 -5.702 -2.001 1.00 0.43 C ATOM 588 C ASP A 39 -19.546 -5.511 -3.348 1.00 0.47 C ATOM 589 O ASP A 39 -20.623 -4.922 -3.426 1.00 0.61 O ATOM 590 CB ASP A 39 -19.611 -6.738 -1.168 1.00 0.52 C ATOM 591 CG ASP A 39 -20.994 -6.262 -0.766 1.00 1.42 C ATOM 592 OD1 ASP A 39 -21.118 -5.639 0.310 1.00 2.20 O ATOM 593 OD2 ASP A 39 -21.953 -6.511 -1.526 1.00 1.91 O ATOM 0 H ASP A 39 -19.643 -4.115 -0.880 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.842 -6.060 -2.187 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -19.700 -7.663 -1.738 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -19.035 -6.970 -0.272 1.00 0.52 H new ATOM 598 N LEU A 40 -18.917 -6.016 -4.406 1.00 0.46 N ATOM 599 CA LEU A 40 -19.469 -5.908 -5.753 1.00 0.53 C ATOM 600 C LEU A 40 -20.505 -6.999 -5.998 1.00 0.57 C ATOM 601 O LEU A 40 -20.483 -8.045 -5.348 1.00 0.62 O ATOM 602 CB LEU A 40 -18.352 -6.004 -6.794 1.00 0.62 C ATOM 603 CG LEU A 40 -17.335 -4.859 -6.762 1.00 0.86 C ATOM 604 CD1 LEU A 40 -16.181 -5.142 -7.711 1.00 1.05 C ATOM 605 CD2 LEU A 40 -18.006 -3.541 -7.118 1.00 1.02 C ATOM 0 H LEU A 40 -18.023 -6.505 -4.356 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.957 -4.938 -5.846 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.821 -6.945 -6.649 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.803 -6.042 -7.786 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.937 -4.782 -5.750 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -15.469 -4.317 -7.674 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.683 -6.065 -7.413 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -16.563 -5.247 -8.727 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -17.269 -2.738 -7.090 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -18.432 -3.608 -8.119 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.799 -3.331 -6.400 1.00 1.02 H new ATOM 732 N ASP A 47 -13.434 3.260 -6.603 1.00 0.48 N ATOM 733 CA ASP A 47 -12.360 4.248 -6.613 1.00 0.44 C ATOM 734 C ASP A 47 -11.022 3.621 -6.998 1.00 0.39 C ATOM 735 O ASP A 47 -10.691 2.519 -6.561 1.00 0.42 O ATOM 736 CB ASP A 47 -12.239 4.909 -5.239 1.00 0.45 C ATOM 737 CG ASP A 47 -13.504 5.640 -4.834 1.00 1.22 C ATOM 738 OD1 ASP A 47 -14.442 4.977 -4.344 1.00 2.20 O ATOM 739 OD2 ASP A 47 -13.556 6.876 -5.006 1.00 1.14 O ATOM 0 HA ASP A 47 -12.612 4.999 -7.362 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -12.007 4.149 -4.493 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.405 5.611 -5.249 1.00 0.45 H new ATOM 744 N LYS A 48 -10.259 4.338 -7.821 1.00 0.37 N ATOM 745 CA LYS A 48 -8.950 3.869 -8.261 1.00 0.34 C ATOM 746 C LYS A 48 -7.841 4.541 -7.458 1.00 0.30 C ATOM 747 O LYS A 48 -7.980 5.689 -7.034 1.00 0.39 O ATOM 748 CB LYS A 48 -8.750 4.152 -9.753 1.00 0.41 C ATOM 749 CG LYS A 48 -9.378 3.113 -10.669 1.00 0.46 C ATOM 750 CD LYS A 48 -10.894 3.105 -10.559 1.00 0.64 C ATOM 751 CE LYS A 48 -11.513 2.108 -11.526 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.998 2.090 -11.433 1.00 1.35 N ATOM 0 H LYS A 48 -10.527 5.248 -8.196 1.00 0.37 H new ATOM 0 HA LYS A 48 -8.905 2.793 -8.095 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -9.172 5.130 -9.987 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.682 4.207 -9.962 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -9.090 3.316 -11.700 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.990 2.126 -10.418 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -11.185 2.854 -9.539 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.281 4.103 -10.765 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -11.217 2.359 -12.544 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -11.125 1.111 -11.317 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -13.380 1.397 -12.108 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -13.282 1.826 -10.468 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -13.371 3.034 -11.657 1.00 1.35 H new ATOM 766 N VAL A 49 -6.740 3.824 -7.255 1.00 0.29 N ATOM 767 CA VAL A 49 -5.613 4.355 -6.500 1.00 0.27 C ATOM 768 C VAL A 49 -4.359 4.443 -7.364 1.00 0.23 C ATOM 769 O VAL A 49 -3.913 3.445 -7.929 1.00 0.28 O ATOM 770 CB VAL A 49 -5.306 3.483 -5.267 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.305 4.176 -4.358 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.583 3.154 -4.511 1.00 0.87 C ATOM 0 H VAL A 49 -6.605 2.875 -7.603 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.897 5.355 -6.174 1.00 0.27 H new ATOM 0 HB VAL A 49 -4.864 2.548 -5.610 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -4.101 3.545 -3.493 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.379 4.353 -4.905 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.716 5.128 -4.023 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.344 2.538 -3.644 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -7.058 4.077 -4.180 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.264 2.610 -5.166 1.00 0.87 H new ATOM 782 N LEU A 50 -3.792 5.643 -7.462 1.00 0.21 N ATOM 783 CA LEU A 50 -2.582 5.854 -8.251 1.00 0.21 C ATOM 784 C LEU A 50 -1.390 5.174 -7.586 1.00 0.20 C ATOM 785 O LEU A 50 -0.834 5.686 -6.615 1.00 0.26 O ATOM 786 CB LEU A 50 -2.311 7.351 -8.419 1.00 0.24 C ATOM 787 CG LEU A 50 -1.079 7.703 -9.258 1.00 0.29 C ATOM 788 CD1 LEU A 50 -1.219 7.164 -10.674 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.863 9.208 -9.277 1.00 0.35 C ATOM 0 H LEU A 50 -4.150 6.482 -7.006 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.730 5.413 -9.237 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -3.186 7.813 -8.877 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -2.196 7.796 -7.431 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.207 7.234 -8.801 1.00 0.29 H new ATOM 0 HD11 LEU A 50 -0.333 7.426 -11.252 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.324 6.080 -10.642 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -2.101 7.600 -11.144 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.016 9.442 -9.877 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.737 9.696 -9.709 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.713 9.567 -8.259 1.00 0.35 H new ATOM 801 N LEU A 51 -1.001 4.017 -8.118 1.00 0.20 N ATOM 802 CA LEU A 51 0.118 3.263 -7.564 1.00 0.22 C ATOM 803 C LEU A 51 1.401 3.519 -8.349 1.00 0.23 C ATOM 804 O LEU A 51 1.386 3.599 -9.580 1.00 0.37 O ATOM 805 CB LEU A 51 -0.197 1.762 -7.562 1.00 0.24 C ATOM 806 CG LEU A 51 -1.599 1.373 -7.070 1.00 0.58 C ATOM 807 CD1 LEU A 51 -1.650 -0.108 -6.731 1.00 0.98 C ATOM 808 CD2 LEU A 51 -2.009 2.206 -5.865 1.00 1.50 C ATOM 0 H LEU A 51 -1.443 3.584 -8.929 1.00 0.20 H new ATOM 0 HA LEU A 51 0.269 3.601 -6.539 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.070 1.382 -8.576 1.00 0.24 H new ATOM 0 HB3 LEU A 51 0.540 1.256 -6.938 1.00 0.24 H new ATOM 0 HG LEU A 51 -2.306 1.574 -7.875 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.650 -0.368 -6.384 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -1.411 -0.693 -7.619 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -0.926 -0.327 -5.947 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -3.006 1.908 -5.539 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.299 2.046 -5.054 1.00 1.50 H new ATOM 0 HD23 LEU A 51 -2.017 3.261 -6.138 1.00 1.50 H new ATOM 820 N SER A 52 2.509 3.648 -7.623 1.00 0.17 N ATOM 821 CA SER A 52 3.811 3.884 -8.241 1.00 0.18 C ATOM 822 C SER A 52 4.866 2.952 -7.652 1.00 0.20 C ATOM 823 O SER A 52 4.874 2.692 -6.449 1.00 0.28 O ATOM 824 CB SER A 52 4.238 5.341 -8.050 1.00 0.18 C ATOM 825 OG SER A 52 5.485 5.593 -8.674 1.00 1.18 O ATOM 0 H SER A 52 2.531 3.593 -6.605 1.00 0.17 H new ATOM 0 HA SER A 52 3.721 3.679 -9.308 1.00 0.18 H new ATOM 0 HB2 SER A 52 3.479 6.003 -8.466 1.00 0.18 H new ATOM 0 HB3 SER A 52 4.308 5.566 -6.986 1.00 0.18 H new ATOM 0 HG SER A 52 6.152 5.820 -7.993 1.00 1.18 H new ATOM 831 N TYR A 53 5.754 2.449 -8.505 1.00 0.19 N ATOM 832 CA TYR A 53 6.814 1.544 -8.065 1.00 0.21 C ATOM 833 C TYR A 53 8.117 2.303 -7.838 1.00 0.20 C ATOM 834 O TYR A 53 8.371 3.325 -8.478 1.00 0.21 O ATOM 835 CB TYR A 53 7.032 0.435 -9.098 1.00 0.25 C ATOM 836 CG TYR A 53 5.886 -0.548 -9.196 1.00 0.36 C ATOM 837 CD1 TYR A 53 4.646 -0.156 -9.683 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.048 -1.871 -8.801 1.00 0.52 C ATOM 839 CE1 TYR A 53 3.599 -1.054 -9.775 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.006 -2.775 -8.891 1.00 0.64 C ATOM 841 CZ TYR A 53 3.785 -2.361 -9.378 1.00 0.66 C ATOM 842 OH TYR A 53 2.746 -3.258 -9.469 1.00 0.82 O ATOM 0 H TYR A 53 5.762 2.652 -9.505 1.00 0.19 H new ATOM 0 HA TYR A 53 6.504 1.096 -7.121 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.192 0.890 -10.076 1.00 0.25 H new ATOM 0 HB3 TYR A 53 7.943 -0.108 -8.846 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.497 0.867 -9.995 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.003 -2.198 -8.418 1.00 0.52 H new ATOM 0 HE1 TYR A 53 2.641 -0.733 -10.156 1.00 0.65 H new ATOM 0 HE2 TYR A 53 5.148 -3.800 -8.581 1.00 0.64 H new ATOM 0 HH TYR A 53 2.029 -2.874 -10.015 1.00 0.82 H new ATOM 852 N TYR A 54 8.942 1.798 -6.925 1.00 0.21 N ATOM 853 CA TYR A 54 10.222 2.429 -6.616 1.00 0.22 C ATOM 854 C TYR A 54 11.308 1.388 -6.365 1.00 0.25 C ATOM 855 O TYR A 54 11.052 0.339 -5.775 1.00 0.31 O ATOM 856 CB TYR A 54 10.088 3.339 -5.392 1.00 0.22 C ATOM 857 CG TYR A 54 9.221 4.554 -5.633 1.00 0.23 C ATOM 858 CD1 TYR A 54 9.759 5.719 -6.167 1.00 0.31 C ATOM 859 CD2 TYR A 54 7.866 4.535 -5.329 1.00 0.22 C ATOM 860 CE1 TYR A 54 8.969 6.831 -6.390 1.00 0.35 C ATOM 861 CE2 TYR A 54 7.071 5.643 -5.550 1.00 0.25 C ATOM 862 CZ TYR A 54 7.626 6.788 -6.079 1.00 0.30 C ATOM 863 OH TYR A 54 6.836 7.894 -6.300 1.00 0.35 O ATOM 0 H TYR A 54 8.747 0.954 -6.386 1.00 0.21 H new ATOM 0 HA TYR A 54 10.512 3.027 -7.480 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.671 2.763 -4.566 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.081 3.667 -5.083 1.00 0.22 H new ATOM 0 HD1 TYR A 54 10.810 5.756 -6.411 1.00 0.31 H new ATOM 0 HD2 TYR A 54 7.427 3.640 -4.913 1.00 0.22 H new ATOM 0 HE1 TYR A 54 9.401 7.729 -6.806 1.00 0.35 H new ATOM 0 HE2 TYR A 54 6.019 5.612 -5.309 1.00 0.25 H new ATOM 0 HH TYR A 54 5.915 7.698 -6.028 1.00 0.35 H new ATOM 873 N GLU A 55 12.521 1.687 -6.821 1.00 0.26 N ATOM 874 CA GLU A 55 13.653 0.785 -6.645 1.00 0.30 C ATOM 875 C GLU A 55 14.750 1.445 -5.811 1.00 0.33 C ATOM 876 O GLU A 55 15.325 2.456 -6.213 1.00 0.53 O ATOM 877 CB GLU A 55 14.210 0.360 -8.005 1.00 0.44 C ATOM 878 CG GLU A 55 14.461 1.520 -8.956 1.00 1.14 C ATOM 879 CD GLU A 55 15.090 1.078 -10.264 1.00 1.52 C ATOM 880 OE1 GLU A 55 14.360 0.541 -11.122 1.00 1.73 O ATOM 881 OE2 GLU A 55 16.313 1.272 -10.430 1.00 2.05 O ATOM 0 H GLU A 55 12.745 2.550 -7.317 1.00 0.26 H new ATOM 0 HA GLU A 55 13.303 -0.100 -6.114 1.00 0.30 H new ATOM 0 HB2 GLU A 55 15.144 -0.180 -7.852 1.00 0.44 H new ATOM 0 HB3 GLU A 55 13.512 -0.335 -8.472 1.00 0.44 H new ATOM 0 HG2 GLU A 55 13.518 2.025 -9.163 1.00 1.14 H new ATOM 0 HG3 GLU A 55 15.112 2.247 -8.472 1.00 1.14 H new ATOM 888 N SER A 56 15.029 0.868 -4.644 1.00 0.45 N ATOM 889 CA SER A 56 16.055 1.400 -3.753 1.00 0.57 C ATOM 890 C SER A 56 17.450 1.054 -4.261 1.00 0.83 C ATOM 891 O SER A 56 17.609 0.212 -5.145 1.00 1.21 O ATOM 892 CB SER A 56 15.866 0.850 -2.337 1.00 0.71 C ATOM 893 OG SER A 56 16.863 1.344 -1.461 1.00 1.19 O ATOM 0 H SER A 56 14.559 0.033 -4.295 1.00 0.45 H new ATOM 0 HA SER A 56 15.954 2.485 -3.732 1.00 0.57 H new ATOM 0 HB2 SER A 56 14.880 1.128 -1.964 1.00 0.71 H new ATOM 0 HB3 SER A 56 15.904 -0.239 -2.359 1.00 0.71 H new ATOM 0 HG SER A 56 16.719 0.979 -0.563 1.00 1.19 H new ATOM 1060 N LYS A 70 16.628 -6.888 -6.017 1.00 0.67 N ATOM 1061 CA LYS A 70 16.325 -5.752 -5.151 1.00 0.60 C ATOM 1062 C LYS A 70 14.829 -5.677 -4.860 1.00 0.51 C ATOM 1063 O LYS A 70 14.004 -5.966 -5.727 1.00 0.50 O ATOM 1064 CB LYS A 70 16.796 -4.450 -5.805 1.00 0.66 C ATOM 1065 CG LYS A 70 18.287 -4.423 -6.121 1.00 0.76 C ATOM 1066 CD LYS A 70 19.091 -3.762 -5.009 1.00 1.25 C ATOM 1067 CE LYS A 70 19.136 -4.622 -3.756 1.00 1.58 C ATOM 1068 NZ LYS A 70 19.948 -3.993 -2.678 1.00 2.43 N ATOM 0 HA LYS A 70 16.854 -5.890 -4.208 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.236 -4.295 -6.727 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.559 -3.616 -5.144 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.645 -5.442 -6.272 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.450 -3.886 -7.056 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.107 -3.574 -5.357 1.00 1.25 H new ATOM 0 HD3 LYS A 70 18.652 -2.794 -4.769 1.00 1.25 H new ATOM 0 HE2 LYS A 70 18.121 -4.790 -3.395 1.00 1.58 H new ATOM 0 HE3 LYS A 70 19.553 -5.599 -4.001 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 19.953 -4.611 -1.842 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 20.923 -3.856 -3.013 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 19.536 -3.072 -2.425 1.00 2.43 H new ATOM 1082 N MET A 71 14.490 -5.289 -3.635 1.00 0.45 N ATOM 1083 CA MET A 71 13.092 -5.178 -3.230 1.00 0.36 C ATOM 1084 C MET A 71 12.425 -3.987 -3.911 1.00 0.33 C ATOM 1085 O MET A 71 12.977 -2.888 -3.946 1.00 0.36 O ATOM 1086 CB MET A 71 12.982 -5.047 -1.708 1.00 0.35 C ATOM 1087 CG MET A 71 13.716 -3.845 -1.139 1.00 0.39 C ATOM 1088 SD MET A 71 13.580 -3.735 0.656 1.00 0.40 S ATOM 1089 CE MET A 71 14.487 -2.225 0.976 1.00 0.47 C ATOM 0 H MET A 71 15.162 -5.047 -2.907 1.00 0.45 H new ATOM 0 HA MET A 71 12.576 -6.087 -3.540 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.929 -4.980 -1.434 1.00 0.35 H new ATOM 0 HB3 MET A 71 13.375 -5.953 -1.246 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.768 -3.902 -1.417 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.317 -2.935 -1.586 1.00 0.39 H new ATOM 0 HE1 MET A 71 14.491 -2.023 2.047 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.513 -2.335 0.624 1.00 0.47 H new ATOM 0 HE3 MET A 71 14.010 -1.396 0.452 1.00 0.47 H new ATOM 1099 N LEU A 72 11.232 -4.217 -4.451 1.00 0.30 N ATOM 1100 CA LEU A 72 10.486 -3.169 -5.140 1.00 0.29 C ATOM 1101 C LEU A 72 9.424 -2.560 -4.230 1.00 0.28 C ATOM 1102 O LEU A 72 8.479 -3.236 -3.824 1.00 0.33 O ATOM 1103 CB LEU A 72 9.829 -3.729 -6.404 1.00 0.29 C ATOM 1104 CG LEU A 72 10.790 -4.368 -7.412 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.016 -5.010 -8.554 1.00 0.34 C ATOM 1106 CD2 LEU A 72 11.767 -3.332 -7.947 1.00 0.34 C ATOM 0 H LEU A 72 10.761 -5.121 -4.425 1.00 0.30 H new ATOM 0 HA LEU A 72 11.190 -2.384 -5.418 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.089 -4.473 -6.110 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.290 -2.923 -6.901 1.00 0.29 H new ATOM 0 HG LEU A 72 11.358 -5.146 -6.901 1.00 0.32 H new ATOM 0 HD11 LEU A 72 10.715 -5.459 -9.260 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.355 -5.781 -8.158 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.423 -4.251 -9.064 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.442 -3.803 -8.661 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.215 -2.533 -8.442 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.345 -2.917 -7.122 1.00 0.34 H new ATOM 1118 N MET A 73 9.584 -1.277 -3.916 1.00 0.26 N ATOM 1119 CA MET A 73 8.633 -0.572 -3.062 1.00 0.26 C ATOM 1120 C MET A 73 7.479 -0.013 -3.890 1.00 0.21 C ATOM 1121 O MET A 73 7.540 0.003 -5.120 1.00 0.20 O ATOM 1122 CB MET A 73 9.332 0.556 -2.301 1.00 0.30 C ATOM 1123 CG MET A 73 10.487 0.080 -1.436 1.00 0.36 C ATOM 1124 SD MET A 73 11.183 1.396 -0.416 1.00 1.17 S ATOM 1125 CE MET A 73 11.681 2.570 -1.672 1.00 0.80 C ATOM 0 H MET A 73 10.363 -0.705 -4.240 1.00 0.26 H new ATOM 0 HA MET A 73 8.230 -1.283 -2.341 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.703 1.290 -3.016 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.602 1.065 -1.671 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.144 -0.730 -0.792 1.00 0.36 H new ATOM 0 HG3 MET A 73 11.269 -0.331 -2.075 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.386 3.283 -1.244 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.157 2.040 -2.497 1.00 0.80 H new ATOM 0 HE3 MET A 73 10.804 3.103 -2.040 1.00 0.80 H new ATOM 1135 N VAL A 74 6.426 0.443 -3.214 1.00 0.20 N ATOM 1136 CA VAL A 74 5.263 0.990 -3.901 1.00 0.16 C ATOM 1137 C VAL A 74 4.528 2.017 -3.047 1.00 0.17 C ATOM 1138 O VAL A 74 4.400 1.859 -1.833 1.00 0.24 O ATOM 1139 CB VAL A 74 4.264 -0.121 -4.291 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.791 -0.877 -3.061 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.077 0.461 -5.046 1.00 0.14 C ATOM 0 H VAL A 74 6.356 0.444 -2.196 1.00 0.20 H new ATOM 0 HA VAL A 74 5.645 1.476 -4.799 1.00 0.16 H new ATOM 0 HB VAL A 74 4.779 -0.822 -4.948 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.088 -1.655 -3.360 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.647 -1.333 -2.563 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.298 -0.186 -2.377 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.386 -0.340 -5.311 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.565 1.188 -4.415 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.428 0.952 -5.954 1.00 0.14 H new ATOM 1151 N THR A 75 4.054 3.074 -3.698 1.00 0.12 N ATOM 1152 CA THR A 75 3.298 4.117 -3.022 1.00 0.12 C ATOM 1153 C THR A 75 1.888 4.169 -3.595 1.00 0.11 C ATOM 1154 O THR A 75 1.705 4.156 -4.814 1.00 0.11 O ATOM 1155 CB THR A 75 3.960 5.500 -3.168 1.00 0.16 C ATOM 1156 OG1 THR A 75 4.021 5.872 -4.549 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.363 5.495 -2.575 1.00 0.18 C ATOM 0 H THR A 75 4.182 3.229 -4.698 1.00 0.12 H new ATOM 0 HA THR A 75 3.271 3.873 -1.960 1.00 0.12 H new ATOM 0 HB THR A 75 3.356 6.226 -2.624 1.00 0.16 H new ATOM 0 HG1 THR A 75 4.442 6.753 -4.632 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.810 6.482 -2.690 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.310 5.242 -1.516 1.00 0.18 H new ATOM 0 HG23 THR A 75 5.975 4.757 -3.094 1.00 0.18 H new ATOM 1165 N LEU A 76 0.896 4.224 -2.716 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.498 4.256 -3.143 1.00 0.14 C ATOM 1167 C LEU A 76 -1.122 5.618 -2.863 1.00 0.14 C ATOM 1168 O LEU A 76 -1.103 6.100 -1.731 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.283 3.147 -2.433 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.463 1.897 -2.078 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.320 0.865 -1.368 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.155 1.285 -3.324 1.00 0.16 C ATOM 0 H LEU A 76 1.029 4.247 -1.705 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.537 4.086 -4.219 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.711 3.555 -1.517 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.116 2.848 -3.069 1.00 0.18 H new ATOM 0 HG LEU A 76 0.336 2.208 -1.404 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.714 -0.009 -1.129 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.718 1.293 -0.448 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.144 0.568 -2.016 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.731 0.402 -3.048 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.634 1.001 -4.020 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.813 2.013 -3.799 1.00 0.16 H new ATOM 1184 N SER A 77 -1.669 6.239 -3.905 1.00 0.20 N ATOM 1185 CA SER A 77 -2.292 7.551 -3.773 1.00 0.23 C ATOM 1186 C SER A 77 -3.657 7.589 -4.460 1.00 0.23 C ATOM 1187 O SER A 77 -3.746 7.852 -5.661 1.00 0.19 O ATOM 1188 CB SER A 77 -1.382 8.628 -4.370 1.00 0.26 C ATOM 1189 OG SER A 77 -1.974 9.912 -4.264 1.00 0.29 O ATOM 0 H SER A 77 -1.693 5.854 -4.849 1.00 0.20 H new ATOM 0 HA SER A 77 -2.439 7.747 -2.711 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.421 8.623 -3.855 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.183 8.401 -5.417 1.00 0.26 H new ATOM 0 HG SER A 77 -2.648 10.020 -4.967 1.00 0.29 H new ATOM 1195 N PRO A 78 -4.744 7.327 -3.707 1.00 0.30 N ATOM 1196 CA PRO A 78 -6.101 7.345 -4.259 1.00 0.33 C ATOM 1197 C PRO A 78 -6.582 8.763 -4.532 1.00 0.34 C ATOM 1198 O PRO A 78 -7.683 8.972 -5.043 1.00 0.41 O ATOM 1199 CB PRO A 78 -6.939 6.697 -3.156 1.00 0.39 C ATOM 1200 CG PRO A 78 -6.195 6.983 -1.900 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.735 6.996 -2.270 1.00 0.37 C ATOM 0 HA PRO A 78 -6.166 6.828 -5.217 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -7.945 7.116 -3.125 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -7.045 5.624 -3.318 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.498 7.941 -1.478 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.399 6.223 -1.145 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -4.181 7.736 -1.692 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.266 6.030 -2.084 1.00 0.37 H new ATOM 1209 N THR A 79 -5.745 9.733 -4.186 1.00 0.34 N ATOM 1210 CA THR A 79 -6.069 11.138 -4.383 1.00 0.37 C ATOM 1211 C THR A 79 -4.917 11.868 -5.065 1.00 0.36 C ATOM 1212 O THR A 79 -4.093 11.252 -5.740 1.00 0.32 O ATOM 1213 CB THR A 79 -6.380 11.829 -3.045 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.204 11.860 -2.233 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.493 11.103 -2.307 1.00 0.51 C ATOM 0 H THR A 79 -4.831 9.569 -3.765 1.00 0.34 H new ATOM 0 HA THR A 79 -6.953 11.181 -5.019 1.00 0.37 H new ATOM 0 HB THR A 79 -6.709 12.847 -3.251 1.00 0.44 H new ATOM 0 HG1 THR A 79 -5.047 10.971 -1.851 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.695 11.610 -1.364 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.395 11.102 -2.919 1.00 0.51 H new ATOM 0 HG23 THR A 79 -7.188 10.076 -2.108 1.00 0.51 H new ATOM 1223 N LYS A 80 -4.863 13.184 -4.884 1.00 0.41 N ATOM 1224 CA LYS A 80 -3.813 13.993 -5.487 1.00 0.43 C ATOM 1225 C LYS A 80 -2.548 14.010 -4.627 1.00 0.43 C ATOM 1226 O LYS A 80 -1.594 13.284 -4.901 1.00 0.47 O ATOM 1227 CB LYS A 80 -4.314 15.423 -5.714 1.00 0.46 C ATOM 1228 CG LYS A 80 -5.706 15.496 -6.323 1.00 0.44 C ATOM 1229 CD LYS A 80 -5.800 14.696 -7.613 1.00 0.43 C ATOM 1230 CE LYS A 80 -7.187 14.792 -8.228 1.00 1.19 C ATOM 1231 NZ LYS A 80 -7.586 16.206 -8.472 1.00 2.08 N ATOM 0 H LYS A 80 -5.534 13.711 -4.325 1.00 0.41 H new ATOM 0 HA LYS A 80 -3.557 13.543 -6.446 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.316 15.953 -4.761 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -3.614 15.944 -6.367 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -6.436 15.119 -5.607 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -5.962 16.537 -6.521 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -5.059 15.062 -8.324 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -5.561 13.652 -7.413 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -7.207 14.241 -9.168 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -7.912 14.319 -7.566 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -8.384 16.231 -9.138 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -7.870 16.646 -7.574 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -6.782 16.729 -8.875 1.00 2.08 H new ATOM 1245 N ASP A 81 -2.549 14.842 -3.586 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.394 14.971 -2.706 1.00 0.43 C ATOM 1247 C ASP A 81 -1.453 14.007 -1.522 1.00 0.43 C ATOM 1248 O ASP A 81 -0.424 13.508 -1.074 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.284 16.408 -2.197 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.113 17.407 -3.323 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -2.138 17.883 -3.854 1.00 0.44 O ATOM 1252 OD2 ASP A 81 0.046 17.712 -3.675 1.00 0.48 O ATOM 0 H ASP A 81 -3.339 15.436 -3.333 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.512 14.714 -3.292 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.178 16.658 -1.626 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.438 16.485 -1.514 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.654 13.751 -1.012 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.817 12.858 0.135 1.00 0.30 C ATOM 1259 C PHE A 82 -2.251 11.470 -0.156 1.00 0.27 C ATOM 1260 O PHE A 82 -2.773 10.741 -1.001 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.292 12.747 0.529 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.973 14.073 0.716 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.964 14.706 1.949 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.628 14.685 -0.342 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.594 15.923 2.124 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.261 15.901 -0.172 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.243 16.522 1.061 1.00 0.44 C ATOM 0 H PHE A 82 -3.524 14.145 -1.370 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.259 13.288 0.967 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.822 12.183 -0.239 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.369 12.176 1.454 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.458 14.242 2.783 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.643 14.206 -1.310 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.579 16.406 3.090 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -6.770 16.366 -1.003 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.735 17.474 1.195 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.181 11.113 0.551 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.545 9.809 0.378 1.00 0.20 C ATOM 1279 C TRP A 83 -0.872 8.889 1.552 1.00 0.19 C ATOM 1280 O TRP A 83 -1.297 9.347 2.613 1.00 0.22 O ATOM 1281 CB TRP A 83 0.974 9.961 0.247 1.00 0.21 C ATOM 1282 CG TRP A 83 1.415 10.448 -1.099 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.315 9.779 -2.285 1.00 0.25 C ATOM 1284 CD2 TRP A 83 2.036 11.704 -1.398 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.829 10.545 -3.304 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.276 11.732 -2.785 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.405 12.811 -0.630 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.871 12.821 -3.417 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.996 13.891 -1.256 1.00 0.38 C ATOM 1290 CH2 TRP A 83 3.222 13.891 -2.639 1.00 0.41 C ATOM 0 H TRP A 83 -0.736 11.709 1.249 1.00 0.22 H new ATOM 0 HA TRP A 83 -0.935 9.365 -0.538 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.328 10.655 1.009 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.446 8.999 0.448 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.894 8.792 -2.405 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.871 10.274 -4.286 1.00 0.31 H new ATOM 0 HE3 TRP A 83 2.231 12.822 0.436 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 3.049 12.821 -4.482 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 3.289 14.750 -0.670 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.682 14.752 -3.100 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.668 7.590 1.351 1.00 0.16 N ATOM 1302 CA LEU A 84 -0.939 6.604 2.393 1.00 0.17 C ATOM 1303 C LEU A 84 0.183 6.573 3.424 1.00 0.17 C ATOM 1304 O LEU A 84 1.292 6.122 3.137 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.120 5.215 1.777 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.571 4.795 1.528 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.261 5.770 0.586 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.626 3.381 0.967 1.00 0.16 C ATOM 0 H LEU A 84 -0.317 7.196 0.478 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.861 6.894 2.898 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.582 5.183 0.830 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.654 4.481 2.434 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.100 4.811 2.481 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.291 5.452 0.423 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.255 6.767 1.026 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.733 5.791 -0.367 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.664 3.098 0.796 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.079 3.342 0.025 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.174 2.690 1.678 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.117 7.053 4.628 1.00 0.23 N ATOM 1321 CA HIS A 85 0.861 7.078 5.709 1.00 0.24 C ATOM 1322 C HIS A 85 0.501 6.065 6.789 1.00 0.27 C ATOM 1323 O HIS A 85 -0.643 6.008 7.247 1.00 0.36 O ATOM 1324 CB HIS A 85 0.949 8.481 6.310 1.00 0.24 C ATOM 1325 CG HIS A 85 1.631 9.471 5.418 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.971 10.176 4.433 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.922 9.873 5.364 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.827 10.968 3.813 1.00 0.29 C ATOM 1329 NE2 HIS A 85 3.018 10.804 4.359 1.00 0.30 N ATOM 0 H HIS A 85 -1.031 7.430 4.879 1.00 0.23 H new ATOM 0 HA HIS A 85 1.833 6.808 5.297 1.00 0.24 H new ATOM 0 HB2 HIS A 85 -0.057 8.836 6.532 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.485 8.429 7.258 1.00 0.24 H new ATOM 0 HD1 HIS A 85 -0.023 10.098 4.217 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.727 9.526 5.994 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.593 11.636 2.998 1.00 0.29 H new ATOM 1338 N ALA A 86 1.485 5.267 7.190 1.00 0.27 N ATOM 1339 CA ALA A 86 1.280 4.251 8.214 1.00 0.31 C ATOM 1340 C ALA A 86 1.340 4.855 9.613 1.00 0.29 C ATOM 1341 O ALA A 86 2.414 5.202 10.104 1.00 0.47 O ATOM 1342 CB ALA A 86 2.316 3.145 8.071 1.00 0.47 C ATOM 0 H ALA A 86 2.435 5.305 6.820 1.00 0.27 H new ATOM 0 HA ALA A 86 0.285 3.827 8.075 1.00 0.31 H new ATOM 0 HB1 ALA A 86 2.153 2.392 8.842 1.00 0.47 H new ATOM 0 HB2 ALA A 86 2.223 2.684 7.088 1.00 0.47 H new ATOM 0 HB3 ALA A 86 3.315 3.566 8.181 1.00 0.47 H new ATOM 1348 N ASN A 87 0.179 4.976 10.250 1.00 0.33 N ATOM 1349 CA ASN A 87 0.100 5.533 11.595 1.00 0.43 C ATOM 1350 C ASN A 87 0.103 4.420 12.639 1.00 0.46 C ATOM 1351 O ASN A 87 -0.942 3.850 12.958 1.00 0.53 O ATOM 1352 CB ASN A 87 -1.160 6.392 11.743 1.00 0.56 C ATOM 1353 CG ASN A 87 -1.303 6.975 13.134 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -1.949 6.388 14.003 1.00 1.83 O ATOM 1355 ND2 ASN A 87 -0.700 8.138 13.355 1.00 1.83 N ATOM 0 H ASN A 87 -0.719 4.696 9.856 1.00 0.33 H new ATOM 0 HA ASN A 87 0.975 6.162 11.757 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.132 7.202 11.014 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -2.037 5.787 11.514 1.00 0.56 H new ATOM 0 HD21 ASN A 87 -0.762 8.578 14.273 1.00 1.83 H new ATOM 0 HD22 ASN A 87 -0.175 8.590 12.607 1.00 1.83 H new ATOM 1362 N ASN A 88 1.285 4.117 13.168 1.00 0.49 N ATOM 1363 CA ASN A 88 1.431 3.067 14.172 1.00 0.56 C ATOM 1364 C ASN A 88 0.669 3.406 15.448 1.00 0.60 C ATOM 1365 O ASN A 88 0.387 2.529 16.264 1.00 0.73 O ATOM 1366 CB ASN A 88 2.910 2.843 14.495 1.00 0.65 C ATOM 1367 CG ASN A 88 3.601 4.112 14.958 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.633 4.415 16.150 1.00 2.56 O ATOM 1369 ND2 ASN A 88 4.160 4.859 14.014 1.00 1.79 N ATOM 0 H ASN A 88 2.157 4.584 12.918 1.00 0.49 H new ATOM 0 HA ASN A 88 1.009 2.152 13.757 1.00 0.56 H new ATOM 0 HB2 ASN A 88 2.998 2.081 15.270 1.00 0.65 H new ATOM 0 HB3 ASN A 88 3.418 2.458 13.611 1.00 0.65 H new ATOM 0 HD21 ASN A 88 4.640 5.723 14.265 1.00 1.79 H new ATOM 0 HD22 ASN A 88 4.109 4.569 13.037 1.00 1.79 H new ATOM 1376 N LYS A 89 0.336 4.682 15.615 1.00 0.56 N ATOM 1377 CA LYS A 89 -0.395 5.128 16.794 1.00 0.63 C ATOM 1378 C LYS A 89 -1.794 4.522 16.829 1.00 0.61 C ATOM 1379 O LYS A 89 -2.370 4.327 17.898 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.486 6.655 16.822 1.00 0.72 C ATOM 1381 CG LYS A 89 -1.138 7.201 18.081 1.00 1.41 C ATOM 1382 CD LYS A 89 -1.036 8.716 18.149 1.00 1.89 C ATOM 1383 CE LYS A 89 -1.613 9.255 19.447 1.00 2.63 C ATOM 1384 NZ LYS A 89 -3.047 8.889 19.611 1.00 3.20 N ATOM 0 H LYS A 89 0.560 5.423 14.951 1.00 0.56 H new ATOM 0 HA LYS A 89 0.150 4.790 17.675 1.00 0.63 H new ATOM 0 HB2 LYS A 89 0.517 7.072 16.732 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -1.051 6.993 15.954 1.00 0.72 H new ATOM 0 HG2 LYS A 89 -2.187 6.904 18.107 1.00 1.41 H new ATOM 0 HG3 LYS A 89 -0.661 6.763 18.958 1.00 1.41 H new ATOM 0 HD2 LYS A 89 0.008 9.016 18.062 1.00 1.89 H new ATOM 0 HD3 LYS A 89 -1.566 9.156 17.304 1.00 1.89 H new ATOM 0 HE2 LYS A 89 -1.040 8.865 20.288 1.00 2.63 H new ATOM 0 HE3 LYS A 89 -1.511 10.340 19.467 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 -3.453 9.424 20.405 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 -3.565 9.117 18.739 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 -3.125 7.870 19.804 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.331 4.222 15.648 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.664 3.638 15.539 1.00 0.55 C ATOM 1400 C GLU A 90 -3.614 2.297 14.812 1.00 0.41 C ATOM 1401 O GLU A 90 -4.648 1.685 14.549 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.604 4.594 14.805 1.00 0.72 C ATOM 1403 CG GLU A 90 -4.764 5.941 15.493 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.407 5.824 16.861 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -6.653 5.790 16.931 1.00 1.04 O ATOM 1406 OE2 GLU A 90 -4.665 5.768 17.863 1.00 1.61 O ATOM 0 H GLU A 90 -1.863 4.374 14.754 1.00 0.52 H new ATOM 0 HA GLU A 90 -4.043 3.470 16.547 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.229 4.754 13.794 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.584 4.125 14.711 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -3.786 6.412 15.594 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -5.369 6.596 14.866 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.401 1.851 14.491 1.00 0.33 N ATOM 1414 CA HIS A 91 -2.202 0.583 13.793 1.00 0.29 C ATOM 1415 C HIS A 91 -2.982 0.548 12.480 1.00 0.29 C ATOM 1416 O HIS A 91 -3.483 -0.500 12.073 1.00 0.34 O ATOM 1417 CB HIS A 91 -2.623 -0.589 14.683 1.00 0.38 C ATOM 1418 CG HIS A 91 -1.742 -0.779 15.879 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -0.882 -1.849 16.016 1.00 1.11 N ATOM 1420 CD2 HIS A 91 -1.589 -0.030 16.997 1.00 1.24 C ATOM 1421 CE1 HIS A 91 -0.239 -1.750 17.166 1.00 0.91 C ATOM 1422 NE2 HIS A 91 -0.650 -0.656 17.780 1.00 0.95 N ATOM 0 H HIS A 91 -1.538 2.351 14.704 1.00 0.33 H new ATOM 0 HA HIS A 91 -1.140 0.492 13.563 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -3.648 -0.430 15.018 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.620 -1.504 14.091 1.00 0.38 H new ATOM 0 HD2 HIS A 91 -2.108 0.888 17.229 1.00 1.24 H new ATOM 0 HE1 HIS A 91 0.498 -2.446 17.540 1.00 0.91 H new ATOM 0 HE2 HIS A 91 -0.323 -0.328 18.689 1.00 0.95 H new ATOM 1431 N SER A 92 -3.075 1.700 11.819 1.00 0.34 N ATOM 1432 CA SER A 92 -3.796 1.795 10.555 1.00 0.44 C ATOM 1433 C SER A 92 -3.167 2.844 9.641 1.00 0.35 C ATOM 1434 O SER A 92 -2.372 3.675 10.083 1.00 0.30 O ATOM 1435 CB SER A 92 -5.265 2.140 10.808 1.00 0.61 C ATOM 1436 OG SER A 92 -5.391 3.379 11.484 1.00 1.33 O ATOM 0 H SER A 92 -2.661 2.576 12.137 1.00 0.34 H new ATOM 0 HA SER A 92 -3.735 0.826 10.059 1.00 0.44 H new ATOM 0 HB2 SER A 92 -5.800 2.184 9.859 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.730 1.351 11.399 1.00 0.61 H new ATOM 0 HG SER A 92 -6.340 3.576 11.632 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.531 2.794 8.362 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.011 3.736 7.378 1.00 0.33 C ATOM 1444 C VAL A 93 -4.046 4.806 7.048 1.00 0.29 C ATOM 1445 O VAL A 93 -5.213 4.499 6.802 1.00 0.31 O ATOM 1446 CB VAL A 93 -2.590 3.014 6.081 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -3.754 2.230 5.495 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.043 4.007 5.066 1.00 1.20 C ATOM 0 H VAL A 93 -4.185 2.109 7.984 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.134 4.210 7.818 1.00 0.33 H new ATOM 0 HB VAL A 93 -1.798 2.308 6.328 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -3.433 1.730 4.581 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -4.091 1.486 6.217 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -4.573 2.912 5.266 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -1.752 3.477 4.159 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -2.811 4.742 4.826 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -1.174 4.514 5.485 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.616 6.064 7.045 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.514 7.177 6.750 1.00 0.31 C ATOM 1460 C GLU A 94 -3.925 8.097 5.685 1.00 0.27 C ATOM 1461 O GLU A 94 -2.709 8.169 5.516 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.803 7.977 8.023 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.545 7.182 9.085 1.00 0.67 C ATOM 1464 CD GLU A 94 -6.940 6.780 8.646 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -7.844 7.642 8.675 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -7.129 5.603 8.270 1.00 2.41 O ATOM 0 H GLU A 94 -2.654 6.339 7.243 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.445 6.761 6.366 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.861 8.334 8.440 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.391 8.858 7.763 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -4.973 6.287 9.329 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -5.612 7.776 9.997 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.801 8.800 4.973 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.375 9.718 3.923 1.00 0.32 C ATOM 1475 C LEU A 95 -3.924 11.049 4.516 1.00 0.29 C ATOM 1476 O LEU A 95 -4.715 11.767 5.128 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.511 9.958 2.923 1.00 0.44 C ATOM 1478 CG LEU A 95 -5.898 8.750 2.062 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -6.703 7.746 2.871 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.684 9.203 0.840 1.00 0.62 C ATOM 0 H LEU A 95 -5.811 8.751 5.105 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.533 9.262 3.402 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.392 10.287 3.473 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -5.223 10.776 2.262 1.00 0.44 H new ATOM 0 HG LEU A 95 -4.984 8.260 1.727 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -6.966 6.897 2.240 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -6.108 7.399 3.716 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.613 8.221 3.239 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -6.952 8.335 0.238 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.591 9.717 1.160 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -6.073 9.882 0.246 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.646 11.368 4.334 1.00 0.25 N ATOM 1493 CA HIS A 96 -2.089 12.615 4.845 1.00 0.30 C ATOM 1494 C HIS A 96 -1.352 13.364 3.741 1.00 0.25 C ATOM 1495 O HIS A 96 -0.621 12.764 2.953 1.00 0.22 O ATOM 1496 CB HIS A 96 -1.144 12.341 6.015 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.831 11.779 7.222 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -2.359 12.565 8.223 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -2.074 10.496 7.588 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -2.896 11.794 9.151 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.737 10.535 8.789 1.00 1.57 N ATOM 0 H HIS A 96 -1.977 10.780 3.837 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.912 13.236 5.199 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.370 11.645 5.691 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.643 13.269 6.291 1.00 0.39 H new ATOM 0 HD1 HIS A 96 -2.338 13.585 8.244 1.00 1.24 H new ATOM 0 HD2 HIS A 96 -1.797 9.609 7.037 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -3.382 12.136 10.053 1.00 1.64 H new ATOM 1510 N LYS A 97 -1.551 14.677 3.689 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.902 15.506 2.682 1.00 0.32 C ATOM 1512 C LYS A 97 0.368 16.138 3.238 1.00 0.34 C ATOM 1513 O LYS A 97 0.331 17.222 3.823 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.861 16.595 2.194 1.00 0.39 C ATOM 1515 CG LYS A 97 -1.253 17.524 1.153 1.00 0.42 C ATOM 1516 CD LYS A 97 -2.281 18.507 0.609 1.00 0.53 C ATOM 1517 CE LYS A 97 -2.769 19.463 1.687 1.00 1.29 C ATOM 1518 NZ LYS A 97 -1.662 20.295 2.236 1.00 2.10 N ATOM 0 H LYS A 97 -2.156 15.188 4.332 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.630 14.870 1.840 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.749 16.123 1.773 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -2.190 17.187 3.048 1.00 0.39 H new ATOM 0 HG2 LYS A 97 -0.422 18.074 1.596 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.844 16.934 0.333 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -1.843 19.076 -0.211 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -3.128 17.958 0.199 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -3.540 20.113 1.274 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -3.230 18.894 2.494 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -2.060 21.094 2.770 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -1.073 19.716 2.867 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -1.079 20.657 1.454 1.00 2.10 H new ATOM 1532 N CYS A 98 1.490 15.452 3.052 1.00 0.37 N ATOM 1533 CA CYS A 98 2.772 15.946 3.532 1.00 0.43 C ATOM 1534 C CYS A 98 3.575 16.560 2.390 1.00 0.40 C ATOM 1535 O CYS A 98 3.186 16.465 1.227 1.00 0.37 O ATOM 1536 CB CYS A 98 3.567 14.813 4.183 1.00 0.49 C ATOM 1537 SG CYS A 98 2.733 14.039 5.588 1.00 1.10 S ATOM 0 H CYS A 98 1.536 14.553 2.572 1.00 0.37 H new ATOM 0 HA CYS A 98 2.583 16.719 4.277 1.00 0.43 H new ATOM 0 HB2 CYS A 98 3.774 14.051 3.432 1.00 0.49 H new ATOM 0 HB3 CYS A 98 4.529 15.203 4.515 1.00 0.49 H new ATOM 0 HG CYS A 98 2.811 12.746 5.480 1.00 1.10 H new ATOM 1543 N GLU A 99 4.693 17.188 2.732 1.00 0.46 N ATOM 1544 CA GLU A 99 5.552 17.815 1.735 1.00 0.47 C ATOM 1545 C GLU A 99 6.115 16.776 0.770 1.00 0.42 C ATOM 1546 O GLU A 99 5.897 15.576 0.941 1.00 0.38 O ATOM 1547 CB GLU A 99 6.691 18.570 2.419 1.00 0.53 C ATOM 1548 CG GLU A 99 6.217 19.686 3.333 1.00 1.09 C ATOM 1549 CD GLU A 99 7.361 20.396 4.030 1.00 1.85 C ATOM 1550 OE1 GLU A 99 7.953 21.311 3.420 1.00 2.07 O ATOM 1551 OE2 GLU A 99 7.666 20.035 5.186 1.00 2.55 O ATOM 0 H GLU A 99 5.026 17.277 3.692 1.00 0.46 H new ATOM 0 HA GLU A 99 4.951 18.522 1.163 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.287 17.865 2.999 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.347 18.990 1.657 1.00 0.53 H new ATOM 0 HG2 GLU A 99 5.646 20.410 2.751 1.00 1.09 H new ATOM 0 HG3 GLU A 99 5.540 19.274 4.082 1.00 1.09 H new ATOM 1558 N LYS A 100 6.840 17.242 -0.244 1.00 0.45 N ATOM 1559 CA LYS A 100 7.429 16.348 -1.235 1.00 0.46 C ATOM 1560 C LYS A 100 8.266 15.244 -0.576 1.00 0.45 C ATOM 1561 O LYS A 100 8.091 14.068 -0.896 1.00 0.45 O ATOM 1562 CB LYS A 100 8.278 17.134 -2.241 1.00 0.52 C ATOM 1563 CG LYS A 100 9.002 16.258 -3.254 1.00 0.56 C ATOM 1564 CD LYS A 100 8.039 15.340 -3.991 1.00 0.60 C ATOM 1565 CE LYS A 100 8.743 14.543 -5.077 1.00 0.96 C ATOM 1566 NZ LYS A 100 9.833 13.691 -4.522 1.00 1.77 N ATOM 0 H LYS A 100 7.033 18.231 -0.400 1.00 0.45 H new ATOM 0 HA LYS A 100 6.608 15.869 -1.769 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.636 17.835 -2.775 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.013 17.727 -1.697 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.526 16.889 -3.972 1.00 0.56 H new ATOM 0 HG3 LYS A 100 9.757 15.660 -2.744 1.00 0.56 H new ATOM 0 HD2 LYS A 100 7.573 14.656 -3.282 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.239 15.932 -4.435 1.00 0.60 H new ATOM 0 HE2 LYS A 100 8.018 13.914 -5.594 1.00 0.96 H new ATOM 0 HE3 LYS A 100 9.158 15.226 -5.818 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 10.186 13.053 -5.263 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 10.610 14.296 -4.187 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 9.464 13.129 -3.728 1.00 1.77 H new ATOM 1580 N PRO A 101 9.189 15.596 0.350 1.00 0.46 N ATOM 1581 CA PRO A 101 10.028 14.602 1.036 1.00 0.48 C ATOM 1582 C PRO A 101 9.202 13.526 1.736 1.00 0.42 C ATOM 1583 O PRO A 101 8.877 13.646 2.918 1.00 0.45 O ATOM 1584 CB PRO A 101 10.808 15.429 2.063 1.00 0.55 C ATOM 1585 CG PRO A 101 10.807 16.814 1.520 1.00 0.64 C ATOM 1586 CD PRO A 101 9.500 16.971 0.795 1.00 0.48 C ATOM 0 HA PRO A 101 10.665 14.062 0.336 1.00 0.48 H new ATOM 0 HB2 PRO A 101 10.335 15.389 3.044 1.00 0.55 H new ATOM 0 HB3 PRO A 101 11.824 15.053 2.184 1.00 0.55 H new ATOM 0 HG2 PRO A 101 10.900 17.548 2.321 1.00 0.64 H new ATOM 0 HG3 PRO A 101 11.649 16.970 0.846 1.00 0.64 H new ATOM 0 HD2 PRO A 101 8.723 17.367 1.448 1.00 0.48 H new ATOM 0 HD3 PRO A 101 9.588 17.656 -0.048 1.00 0.48 H new ATOM 1594 N LEU A 102 8.865 12.475 0.995 1.00 0.40 N ATOM 1595 CA LEU A 102 8.080 11.375 1.539 1.00 0.36 C ATOM 1596 C LEU A 102 8.836 10.663 2.665 1.00 0.37 C ATOM 1597 O LEU A 102 10.032 10.402 2.545 1.00 0.45 O ATOM 1598 CB LEU A 102 7.741 10.377 0.431 1.00 0.38 C ATOM 1599 CG LEU A 102 6.881 10.937 -0.705 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.779 9.931 -1.841 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.496 11.304 -0.191 1.00 0.45 C ATOM 0 H LEU A 102 9.124 12.363 0.015 1.00 0.40 H new ATOM 0 HA LEU A 102 7.159 11.787 1.951 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.671 9.997 0.009 1.00 0.38 H new ATOM 0 HB3 LEU A 102 7.222 9.528 0.875 1.00 0.38 H new ATOM 0 HG LEU A 102 7.358 11.840 -1.087 1.00 0.41 H new ATOM 0 HD11 LEU A 102 6.164 10.345 -2.640 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.776 9.714 -2.225 1.00 0.50 H new ATOM 0 HD13 LEU A 102 6.324 9.011 -1.473 1.00 0.50 H new ATOM 0 HD21 LEU A 102 4.897 11.701 -1.011 1.00 0.45 H new ATOM 0 HD22 LEU A 102 5.012 10.416 0.216 1.00 0.45 H new ATOM 0 HD23 LEU A 102 5.586 12.058 0.591 1.00 0.45 H new ATOM 1613 N PRO A 103 8.143 10.338 3.776 1.00 0.37 N ATOM 1614 CA PRO A 103 8.760 9.649 4.915 1.00 0.40 C ATOM 1615 C PRO A 103 9.013 8.171 4.633 1.00 0.35 C ATOM 1616 O PRO A 103 8.501 7.616 3.660 1.00 0.30 O ATOM 1617 CB PRO A 103 7.720 9.809 6.024 1.00 0.47 C ATOM 1618 CG PRO A 103 6.421 9.902 5.303 1.00 0.46 C ATOM 1619 CD PRO A 103 6.713 10.620 4.013 1.00 0.42 C ATOM 0 HA PRO A 103 9.738 10.062 5.162 1.00 0.40 H new ATOM 0 HB2 PRO A 103 7.735 8.961 6.708 1.00 0.47 H new ATOM 0 HB3 PRO A 103 7.909 10.702 6.620 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.008 8.911 5.113 1.00 0.46 H new ATOM 0 HG3 PRO A 103 5.685 10.446 5.894 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.091 10.250 3.198 1.00 0.42 H new ATOM 0 HD3 PRO A 103 6.524 11.690 4.098 1.00 0.42 H new ATOM 1627 N ASP A 104 9.799 7.539 5.499 1.00 0.40 N ATOM 1628 CA ASP A 104 10.136 6.127 5.346 1.00 0.41 C ATOM 1629 C ASP A 104 8.912 5.238 5.541 1.00 0.41 C ATOM 1630 O ASP A 104 8.955 4.042 5.252 1.00 0.54 O ATOM 1631 CB ASP A 104 11.228 5.731 6.342 1.00 0.52 C ATOM 1632 CG ASP A 104 12.488 6.557 6.175 1.00 1.05 C ATOM 1633 OD1 ASP A 104 13.367 6.146 5.388 1.00 1.57 O ATOM 1634 OD2 ASP A 104 12.598 7.613 6.833 1.00 1.45 O ATOM 0 H ASP A 104 10.216 7.984 6.317 1.00 0.40 H new ATOM 0 HA ASP A 104 10.504 5.982 4.330 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.850 5.850 7.358 1.00 0.52 H new ATOM 0 HB3 ASP A 104 11.469 4.676 6.213 1.00 0.52 H new ATOM 1639 N GLN A 105 7.824 5.822 6.033 1.00 0.36 N ATOM 1640 CA GLN A 105 6.595 5.071 6.260 1.00 0.39 C ATOM 1641 C GLN A 105 5.637 5.240 5.085 1.00 0.34 C ATOM 1642 O GLN A 105 4.511 4.741 5.112 1.00 0.42 O ATOM 1643 CB GLN A 105 5.924 5.521 7.562 1.00 0.48 C ATOM 1644 CG GLN A 105 5.172 6.838 7.444 1.00 0.67 C ATOM 1645 CD GLN A 105 4.834 7.438 8.796 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.649 6.720 9.778 1.00 1.41 O ATOM 1647 NE2 GLN A 105 4.750 8.762 8.852 1.00 1.65 N ATOM 0 H GLN A 105 7.768 6.810 6.281 1.00 0.36 H new ATOM 0 HA GLN A 105 6.851 4.015 6.348 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.231 4.746 7.889 1.00 0.48 H new ATOM 0 HB3 GLN A 105 6.684 5.616 8.337 1.00 0.48 H new ATOM 0 HG2 GLN A 105 5.774 7.547 6.876 1.00 0.67 H new ATOM 0 HG3 GLN A 105 4.252 6.678 6.881 1.00 0.67 H new ATOM 0 HE21 GLN A 105 4.911 9.319 8.013 1.00 1.65 H new ATOM 0 HE22 GLN A 105 4.524 9.222 9.734 1.00 1.65 H new ATOM 1656 N ALA A 106 6.093 5.944 4.053 1.00 0.31 N ATOM 1657 CA ALA A 106 5.279 6.179 2.867 1.00 0.30 C ATOM 1658 C ALA A 106 5.474 5.068 1.841 1.00 0.31 C ATOM 1659 O ALA A 106 4.509 4.570 1.259 1.00 0.62 O ATOM 1660 CB ALA A 106 5.615 7.531 2.256 1.00 0.31 C ATOM 0 H ALA A 106 7.023 6.362 4.015 1.00 0.31 H new ATOM 0 HA ALA A 106 4.231 6.180 3.168 1.00 0.30 H new ATOM 0 HB1 ALA A 106 5.000 7.693 1.371 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.419 8.318 2.984 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.668 7.552 1.975 1.00 0.31 H new ATOM 1666 N PHE A 107 6.728 4.682 1.623 1.00 0.21 N ATOM 1667 CA PHE A 107 7.048 3.628 0.669 1.00 0.19 C ATOM 1668 C PHE A 107 6.805 2.252 1.283 1.00 0.18 C ATOM 1669 O PHE A 107 7.323 1.943 2.356 1.00 0.24 O ATOM 1670 CB PHE A 107 8.505 3.742 0.212 1.00 0.23 C ATOM 1671 CG PHE A 107 8.847 5.081 -0.380 1.00 0.19 C ATOM 1672 CD1 PHE A 107 9.235 6.133 0.433 1.00 0.26 C ATOM 1673 CD2 PHE A 107 8.782 5.286 -1.749 1.00 0.22 C ATOM 1674 CE1 PHE A 107 9.553 7.365 -0.106 1.00 0.27 C ATOM 1675 CE2 PHE A 107 9.099 6.515 -2.296 1.00 0.22 C ATOM 1676 CZ PHE A 107 9.484 7.556 -1.474 1.00 0.21 C ATOM 0 H PHE A 107 7.538 5.084 2.095 1.00 0.21 H new ATOM 0 HA PHE A 107 6.395 3.746 -0.196 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.160 3.552 1.063 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.708 2.966 -0.526 1.00 0.23 H new ATOM 0 HD1 PHE A 107 9.290 5.989 1.502 1.00 0.26 H new ATOM 0 HD2 PHE A 107 8.480 4.476 -2.396 1.00 0.22 H new ATOM 0 HE1 PHE A 107 9.855 8.177 0.539 1.00 0.27 H new ATOM 0 HE2 PHE A 107 9.046 6.661 -3.365 1.00 0.22 H new ATOM 0 HZ PHE A 107 9.731 8.518 -1.899 1.00 0.21 H new ATOM 1686 N PHE A 108 6.013 1.433 0.598 1.00 0.16 N ATOM 1687 CA PHE A 108 5.701 0.090 1.079 1.00 0.17 C ATOM 1688 C PHE A 108 6.334 -0.970 0.187 1.00 0.18 C ATOM 1689 O PHE A 108 6.078 -1.016 -1.013 1.00 0.27 O ATOM 1690 CB PHE A 108 4.185 -0.112 1.134 1.00 0.17 C ATOM 1691 CG PHE A 108 3.490 0.820 2.085 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.590 0.631 3.455 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.740 1.884 1.611 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.953 1.486 4.334 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.101 2.742 2.485 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.207 2.543 3.848 1.00 0.32 C ATOM 0 H PHE A 108 5.576 1.675 -0.291 1.00 0.16 H new ATOM 0 HA PHE A 108 6.113 -0.015 2.082 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.772 0.026 0.135 1.00 0.17 H new ATOM 0 HB3 PHE A 108 3.974 -1.141 1.427 1.00 0.17 H new ATOM 0 HD1 PHE A 108 4.172 -0.194 3.839 1.00 0.26 H new ATOM 0 HD2 PHE A 108 2.654 2.044 0.546 1.00 0.27 H new ATOM 0 HE1 PHE A 108 3.038 1.328 5.399 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.519 3.568 2.103 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.708 3.212 4.533 1.00 0.32 H new ATOM 1706 N VAL A 109 7.158 -1.828 0.782 1.00 0.17 N ATOM 1707 CA VAL A 109 7.825 -2.885 0.031 1.00 0.18 C ATOM 1708 C VAL A 109 6.817 -3.905 -0.486 1.00 0.20 C ATOM 1709 O VAL A 109 6.310 -4.732 0.272 1.00 0.22 O ATOM 1710 CB VAL A 109 8.883 -3.607 0.887 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.667 -4.600 0.048 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.822 -2.602 1.532 1.00 0.21 C ATOM 0 H VAL A 109 7.379 -1.812 1.778 1.00 0.17 H new ATOM 0 HA VAL A 109 8.323 -2.409 -0.813 1.00 0.18 H new ATOM 0 HB VAL A 109 8.367 -4.156 1.675 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.409 -5.098 0.672 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.986 -5.342 -0.369 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.170 -4.074 -0.763 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.563 -3.130 2.133 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.327 -2.026 0.756 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.251 -1.928 2.170 1.00 0.21 H new ATOM 1722 N LEU A 110 6.530 -3.836 -1.782 1.00 0.24 N ATOM 1723 CA LEU A 110 5.576 -4.743 -2.407 1.00 0.27 C ATOM 1724 C LEU A 110 6.133 -6.162 -2.491 1.00 0.25 C ATOM 1725 O LEU A 110 7.289 -6.366 -2.866 1.00 0.30 O ATOM 1726 CB LEU A 110 5.214 -4.244 -3.807 1.00 0.35 C ATOM 1727 CG LEU A 110 4.057 -4.984 -4.480 1.00 0.48 C ATOM 1728 CD1 LEU A 110 2.746 -4.685 -3.768 1.00 0.89 C ATOM 1729 CD2 LEU A 110 3.966 -4.605 -5.951 1.00 1.01 C ATOM 0 H LEU A 110 6.946 -3.159 -2.421 1.00 0.24 H new ATOM 0 HA LEU A 110 4.680 -4.765 -1.787 1.00 0.27 H new ATOM 0 HB2 LEU A 110 4.961 -3.186 -3.744 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.095 -4.324 -4.444 1.00 0.35 H new ATOM 0 HG LEU A 110 4.247 -6.055 -4.412 1.00 0.48 H new ATOM 0 HD11 LEU A 110 1.934 -5.220 -4.261 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.815 -5.007 -2.729 1.00 0.89 H new ATOM 0 HD13 LEU A 110 2.549 -3.614 -3.804 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.137 -5.141 -6.414 1.00 1.01 H new ATOM 0 HD22 LEU A 110 3.799 -3.532 -6.041 1.00 1.01 H new ATOM 0 HD23 LEU A 110 4.896 -4.871 -6.453 1.00 1.01 H new ATOM 1741 N HIS A 111 5.300 -7.137 -2.145 1.00 0.24 N ATOM 1742 CA HIS A 111 5.699 -8.541 -2.183 1.00 0.26 C ATOM 1743 C HIS A 111 4.596 -9.405 -2.789 1.00 0.25 C ATOM 1744 O HIS A 111 3.411 -9.180 -2.539 1.00 0.26 O ATOM 1745 CB HIS A 111 6.030 -9.043 -0.775 1.00 0.27 C ATOM 1746 CG HIS A 111 7.317 -8.504 -0.229 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.555 -8.896 -0.694 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.556 -7.604 0.755 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.497 -8.262 -0.021 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.917 -7.474 0.864 1.00 0.36 N ATOM 0 H HIS A 111 4.341 -6.981 -1.834 1.00 0.24 H new ATOM 0 HA HIS A 111 6.588 -8.618 -2.809 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.218 -8.770 -0.102 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.080 -10.132 -0.790 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.814 -7.086 1.344 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.561 -8.370 -0.170 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.403 -6.866 1.523 1.00 0.36 H new ATOM 1759 N ASN A 112 4.994 -10.389 -3.589 1.00 0.29 N ATOM 1760 CA ASN A 112 4.040 -11.292 -4.225 1.00 0.30 C ATOM 1761 C ASN A 112 3.864 -12.558 -3.397 1.00 0.29 C ATOM 1762 O ASN A 112 4.809 -13.327 -3.212 1.00 0.44 O ATOM 1763 CB ASN A 112 4.504 -11.655 -5.638 1.00 0.46 C ATOM 1764 CG ASN A 112 4.585 -10.447 -6.553 1.00 1.42 C ATOM 1765 OD1 ASN A 112 4.851 -9.332 -6.106 1.00 2.14 O ATOM 1766 ND2 ASN A 112 4.354 -10.666 -7.842 1.00 2.13 N ATOM 0 H ASN A 112 5.970 -10.582 -3.813 1.00 0.29 H new ATOM 0 HA ASN A 112 3.080 -10.779 -4.289 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.483 -12.132 -5.584 1.00 0.46 H new ATOM 0 HB3 ASN A 112 3.817 -12.385 -6.066 1.00 0.46 H new ATOM 0 HD21 ASN A 112 4.394 -9.893 -8.506 1.00 2.13 H new ATOM 0 HD22 ASN A 112 4.137 -11.608 -8.168 1.00 2.13 H new ATOM 1773 N MET A 113 2.651 -12.772 -2.900 1.00 0.28 N ATOM 1774 CA MET A 113 2.354 -13.944 -2.086 1.00 0.36 C ATOM 1775 C MET A 113 1.762 -15.067 -2.934 1.00 0.40 C ATOM 1776 O MET A 113 2.319 -16.163 -3.002 1.00 0.46 O ATOM 1777 CB MET A 113 1.393 -13.572 -0.956 1.00 0.43 C ATOM 1778 CG MET A 113 1.913 -12.450 -0.072 1.00 0.47 C ATOM 1779 SD MET A 113 0.931 -12.222 1.423 1.00 0.89 S ATOM 1780 CE MET A 113 1.247 -13.766 2.275 1.00 0.58 C ATOM 0 H MET A 113 1.857 -12.149 -3.047 1.00 0.28 H new ATOM 0 HA MET A 113 3.289 -14.303 -1.655 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.436 -13.274 -1.385 1.00 0.43 H new ATOM 0 HB3 MET A 113 1.206 -14.453 -0.342 1.00 0.43 H new ATOM 0 HG2 MET A 113 2.945 -12.662 0.206 1.00 0.47 H new ATOM 0 HG3 MET A 113 1.921 -11.520 -0.641 1.00 0.47 H new ATOM 0 HE1 MET A 113 0.353 -14.389 2.242 1.00 0.58 H new ATOM 0 HE2 MET A 113 2.071 -14.288 1.789 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.509 -13.562 3.313 1.00 0.58 H new ATOM 1790 N HIS A 114 0.632 -14.791 -3.576 1.00 0.45 N ATOM 1791 CA HIS A 114 -0.028 -15.783 -4.418 1.00 0.51 C ATOM 1792 C HIS A 114 0.204 -15.491 -5.897 1.00 0.47 C ATOM 1793 O HIS A 114 1.109 -14.738 -6.259 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.529 -15.824 -4.122 1.00 0.54 C ATOM 1795 CG HIS A 114 -1.861 -16.419 -2.789 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -2.508 -17.632 -2.646 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.636 -15.967 -1.533 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.665 -17.895 -1.360 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -2.144 -16.902 -0.665 1.00 1.75 N ATOM 0 H HIS A 114 0.155 -13.891 -3.530 1.00 0.45 H new ATOM 0 HA HIS A 114 0.406 -16.756 -4.189 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -1.928 -14.811 -4.168 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -2.029 -16.399 -4.902 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -1.147 -15.042 -1.264 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -3.139 -18.774 -0.948 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -2.122 -16.839 0.353 1.00 1.75 H new ATOM 1808 N SER A 115 -0.623 -16.097 -6.747 1.00 0.49 N ATOM 1809 CA SER A 115 -0.515 -15.920 -8.190 1.00 0.54 C ATOM 1810 C SER A 115 -0.541 -14.445 -8.582 1.00 0.50 C ATOM 1811 O SER A 115 0.388 -13.948 -9.218 1.00 0.56 O ATOM 1812 CB SER A 115 -1.654 -16.661 -8.895 1.00 0.59 C ATOM 1813 OG SER A 115 -1.583 -18.055 -8.650 1.00 1.50 O ATOM 0 H SER A 115 -1.379 -16.718 -6.457 1.00 0.49 H new ATOM 0 HA SER A 115 0.444 -16.334 -8.503 1.00 0.54 H new ATOM 0 HB2 SER A 115 -2.613 -16.276 -8.548 1.00 0.59 H new ATOM 0 HB3 SER A 115 -1.605 -16.474 -9.968 1.00 0.59 H new ATOM 0 HG SER A 115 -2.322 -18.506 -9.109 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.607 -13.749 -8.198 1.00 0.45 N ATOM 1820 CA ASN A 116 -1.750 -12.333 -8.522 1.00 0.50 C ATOM 1821 C ASN A 116 -1.851 -11.479 -7.263 1.00 0.44 C ATOM 1822 O ASN A 116 -1.692 -10.259 -7.317 1.00 0.66 O ATOM 1823 CB ASN A 116 -2.986 -12.115 -9.399 1.00 0.61 C ATOM 1824 CG ASN A 116 -2.843 -12.747 -10.769 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -2.151 -13.751 -10.936 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -3.501 -12.159 -11.762 1.00 1.68 N ATOM 0 H ASN A 116 -2.382 -14.141 -7.664 1.00 0.45 H new ATOM 0 HA ASN A 116 -0.858 -12.025 -9.068 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -3.860 -12.532 -8.899 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -3.163 -11.046 -9.512 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -3.444 -12.539 -12.707 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -4.064 -11.328 -11.579 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.122 -12.121 -6.132 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.247 -11.414 -4.864 1.00 0.32 C ATOM 1835 C CYS A 117 -0.936 -10.726 -4.492 1.00 0.28 C ATOM 1836 O CYS A 117 0.145 -11.277 -4.695 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.664 -12.381 -3.756 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.215 -13.249 -4.081 1.00 0.97 S ATOM 0 H CYS A 117 -2.259 -13.130 -6.068 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.016 -10.650 -4.977 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -1.872 -13.116 -3.612 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.758 -11.828 -2.822 1.00 0.43 H new ATOM 0 HG CYS A 117 -4.739 -13.637 -2.956 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.042 -9.517 -3.947 1.00 0.25 N ATOM 1845 CA VAL A 118 0.132 -8.750 -3.545 1.00 0.27 C ATOM 1846 C VAL A 118 0.042 -8.322 -2.083 1.00 0.24 C ATOM 1847 O VAL A 118 -1.021 -8.404 -1.467 1.00 0.28 O ATOM 1848 CB VAL A 118 0.309 -7.498 -4.424 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.605 -7.895 -5.861 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.926 -6.612 -4.350 1.00 0.41 C ATOM 0 H VAL A 118 -1.931 -9.047 -3.774 1.00 0.25 H new ATOM 0 HA VAL A 118 0.995 -9.404 -3.674 1.00 0.27 H new ATOM 0 HB VAL A 118 1.157 -6.928 -4.046 1.00 0.37 H new ATOM 0 HG11 VAL A 118 0.727 -6.998 -6.468 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.522 -8.484 -5.894 1.00 0.46 H new ATOM 0 HG13 VAL A 118 -0.221 -8.488 -6.252 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.781 -5.733 -4.978 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.795 -7.169 -4.700 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -1.088 -6.299 -3.319 1.00 0.41 H new ATOM 1860 N SER A 119 1.164 -7.867 -1.531 1.00 0.24 N ATOM 1861 CA SER A 119 1.208 -7.424 -0.141 1.00 0.23 C ATOM 1862 C SER A 119 2.043 -6.153 0.001 1.00 0.21 C ATOM 1863 O SER A 119 3.028 -5.965 -0.712 1.00 0.30 O ATOM 1864 CB SER A 119 1.781 -8.528 0.749 1.00 0.29 C ATOM 1865 OG SER A 119 1.863 -8.104 2.099 1.00 1.09 O ATOM 0 H SER A 119 2.054 -7.796 -2.025 1.00 0.24 H new ATOM 0 HA SER A 119 0.189 -7.203 0.176 1.00 0.23 H new ATOM 0 HB2 SER A 119 1.153 -9.417 0.681 1.00 0.29 H new ATOM 0 HB3 SER A 119 2.772 -8.810 0.392 1.00 0.29 H new ATOM 0 HG SER A 119 2.803 -8.064 2.373 1.00 1.09 H new ATOM 1871 N PHE A 120 1.640 -5.287 0.929 1.00 0.20 N ATOM 1872 CA PHE A 120 2.348 -4.033 1.169 1.00 0.18 C ATOM 1873 C PHE A 120 3.080 -4.064 2.507 1.00 0.18 C ATOM 1874 O PHE A 120 2.473 -3.873 3.563 1.00 0.27 O ATOM 1875 CB PHE A 120 1.363 -2.863 1.138 1.00 0.21 C ATOM 1876 CG PHE A 120 0.578 -2.782 -0.139 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.117 -2.175 -1.260 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.698 -3.318 -0.220 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.402 -2.103 -2.439 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.418 -3.250 -1.396 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.869 -2.642 -2.507 1.00 0.35 C ATOM 0 H PHE A 120 0.826 -5.432 1.527 1.00 0.20 H new ATOM 0 HA PHE A 120 3.088 -3.903 0.379 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.672 -2.956 1.976 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.911 -1.932 1.279 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.110 -1.752 -1.212 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.133 -3.794 0.646 1.00 0.28 H new ATOM 0 HE1 PHE A 120 0.835 -1.627 -3.306 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.411 -3.672 -1.447 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.431 -2.588 -3.427 1.00 0.35 H new ATOM 1891 N GLU A 121 4.387 -4.301 2.456 1.00 0.19 N ATOM 1892 CA GLU A 121 5.208 -4.366 3.663 1.00 0.19 C ATOM 1893 C GLU A 121 5.694 -2.982 4.078 1.00 0.19 C ATOM 1894 O GLU A 121 6.014 -2.146 3.234 1.00 0.19 O ATOM 1895 CB GLU A 121 6.407 -5.289 3.435 1.00 0.23 C ATOM 1896 CG GLU A 121 7.298 -5.447 4.656 1.00 0.29 C ATOM 1897 CD GLU A 121 8.453 -6.399 4.416 1.00 0.33 C ATOM 1898 OE1 GLU A 121 8.280 -7.614 4.653 1.00 0.45 O ATOM 1899 OE2 GLU A 121 9.532 -5.932 3.993 1.00 0.35 O ATOM 0 H GLU A 121 4.903 -4.452 1.589 1.00 0.19 H new ATOM 0 HA GLU A 121 4.590 -4.765 4.467 1.00 0.19 H new ATOM 0 HB2 GLU A 121 6.045 -6.271 3.131 1.00 0.23 H new ATOM 0 HB3 GLU A 121 7.003 -4.899 2.610 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.690 -4.471 4.944 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.701 -5.810 5.492 1.00 0.29 H new ATOM 1906 N CYS A 122 5.751 -2.751 5.386 1.00 0.22 N ATOM 1907 CA CYS A 122 6.207 -1.473 5.921 1.00 0.24 C ATOM 1908 C CYS A 122 7.723 -1.472 6.095 1.00 0.27 C ATOM 1909 O CYS A 122 8.292 -2.391 6.683 1.00 0.26 O ATOM 1910 CB CYS A 122 5.526 -1.186 7.261 1.00 0.27 C ATOM 1911 SG CYS A 122 3.724 -1.088 7.165 1.00 0.31 S ATOM 0 H CYS A 122 5.486 -3.434 6.096 1.00 0.22 H new ATOM 0 HA CYS A 122 5.939 -0.690 5.212 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.800 -1.967 7.970 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.910 -0.246 7.658 1.00 0.27 H new ATOM 0 HG CYS A 122 3.208 -1.476 8.293 1.00 0.31 H new ATOM 1917 N LYS A 123 8.372 -0.433 5.576 1.00 0.34 N ATOM 1918 CA LYS A 123 9.824 -0.314 5.664 1.00 0.41 C ATOM 1919 C LYS A 123 10.260 0.108 7.064 1.00 0.43 C ATOM 1920 O LYS A 123 11.392 -0.151 7.474 1.00 0.48 O ATOM 1921 CB LYS A 123 10.334 0.697 4.634 1.00 0.48 C ATOM 1922 CG LYS A 123 11.846 0.694 4.479 1.00 0.65 C ATOM 1923 CD LYS A 123 12.310 1.784 3.527 1.00 0.67 C ATOM 1924 CE LYS A 123 13.817 1.741 3.328 1.00 0.69 C ATOM 1925 NZ LYS A 123 14.289 2.833 2.434 1.00 1.39 N ATOM 0 H LYS A 123 7.915 0.339 5.090 1.00 0.34 H new ATOM 0 HA LYS A 123 10.254 -1.293 5.453 1.00 0.41 H new ATOM 0 HB2 LYS A 123 9.877 0.482 3.668 1.00 0.48 H new ATOM 0 HB3 LYS A 123 10.008 1.696 4.925 1.00 0.48 H new ATOM 0 HG2 LYS A 123 12.313 0.837 5.453 1.00 0.65 H new ATOM 0 HG3 LYS A 123 12.173 -0.278 4.109 1.00 0.65 H new ATOM 0 HD2 LYS A 123 11.811 1.666 2.565 1.00 0.67 H new ATOM 0 HD3 LYS A 123 12.021 2.759 3.919 1.00 0.67 H new ATOM 0 HE2 LYS A 123 14.314 1.823 4.295 1.00 0.69 H new ATOM 0 HE3 LYS A 123 14.100 0.777 2.905 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 15.321 2.769 2.323 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.835 2.740 1.503 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 14.042 3.754 2.850 1.00 1.39 H new ATOM 1939 N THR A 124 9.359 0.761 7.792 1.00 0.43 N ATOM 1940 CA THR A 124 9.657 1.220 9.145 1.00 0.49 C ATOM 1941 C THR A 124 9.250 0.180 10.184 1.00 0.44 C ATOM 1942 O THR A 124 9.653 0.261 11.345 1.00 0.50 O ATOM 1943 CB THR A 124 8.944 2.548 9.459 1.00 0.59 C ATOM 1944 OG1 THR A 124 7.532 2.409 9.251 1.00 1.19 O ATOM 1945 CG2 THR A 124 9.484 3.671 8.586 1.00 0.88 C ATOM 0 H THR A 124 8.418 0.984 7.468 1.00 0.43 H new ATOM 0 HA THR A 124 10.735 1.374 9.193 1.00 0.49 H new ATOM 0 HB THR A 124 9.133 2.798 10.503 1.00 0.59 H new ATOM 0 HG1 THR A 124 7.153 1.837 9.951 1.00 1.19 H new ATOM 0 HG21 THR A 124 8.966 4.599 8.825 1.00 0.88 H new ATOM 0 HG22 THR A 124 10.551 3.794 8.770 1.00 0.88 H new ATOM 0 HG23 THR A 124 9.323 3.426 7.536 1.00 0.88 H new ATOM 1953 N ASP A 125 8.450 -0.792 9.760 1.00 0.39 N ATOM 1954 CA ASP A 125 7.986 -1.848 10.654 1.00 0.42 C ATOM 1955 C ASP A 125 8.132 -3.221 9.998 1.00 0.35 C ATOM 1956 O ASP A 125 7.286 -3.621 9.198 1.00 0.36 O ATOM 1957 CB ASP A 125 6.526 -1.607 11.041 1.00 0.52 C ATOM 1958 CG ASP A 125 6.335 -0.308 11.799 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.155 0.740 11.143 1.00 0.65 O ATOM 1960 OD2 ASP A 125 6.362 -0.339 13.046 1.00 0.78 O ATOM 0 H ASP A 125 8.109 -0.871 8.802 1.00 0.39 H new ATOM 0 HA ASP A 125 8.603 -1.829 11.553 1.00 0.42 H new ATOM 0 HB2 ASP A 125 5.912 -1.592 10.140 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.174 -2.437 11.654 1.00 0.52 H new ATOM 1965 N PRO A 126 9.207 -3.966 10.326 1.00 0.43 N ATOM 1966 CA PRO A 126 9.441 -5.296 9.754 1.00 0.46 C ATOM 1967 C PRO A 126 8.428 -6.325 10.241 1.00 0.45 C ATOM 1968 O PRO A 126 8.290 -6.556 11.443 1.00 0.56 O ATOM 1969 CB PRO A 126 10.845 -5.659 10.246 1.00 0.62 C ATOM 1970 CG PRO A 126 11.027 -4.861 11.490 1.00 0.89 C ATOM 1971 CD PRO A 126 10.272 -3.579 11.274 1.00 0.60 C ATOM 0 HA PRO A 126 9.344 -5.290 8.668 1.00 0.46 H new ATOM 0 HB2 PRO A 126 10.931 -6.727 10.445 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.602 -5.411 9.502 1.00 0.62 H new ATOM 0 HG2 PRO A 126 10.644 -5.398 12.358 1.00 0.89 H new ATOM 0 HG3 PRO A 126 12.083 -4.665 11.677 1.00 0.89 H new ATOM 0 HD2 PRO A 126 9.860 -3.193 12.206 1.00 0.60 H new ATOM 0 HD3 PRO A 126 10.913 -2.799 10.862 1.00 0.60 H new ATOM 1979 N GLY A 127 7.718 -6.939 9.299 1.00 0.40 N ATOM 1980 CA GLY A 127 6.725 -7.938 9.648 1.00 0.43 C ATOM 1981 C GLY A 127 5.315 -7.380 9.656 1.00 0.44 C ATOM 1982 O GLY A 127 4.366 -8.079 10.011 1.00 0.65 O ATOM 0 H GLY A 127 7.813 -6.762 8.299 1.00 0.40 H new ATOM 0 HA2 GLY A 127 6.781 -8.764 8.939 1.00 0.43 H new ATOM 0 HA3 GLY A 127 6.956 -8.346 10.632 1.00 0.43 H new ATOM 1986 N VAL A 128 5.178 -6.117 9.263 1.00 0.28 N ATOM 1987 CA VAL A 128 3.873 -5.465 9.220 1.00 0.32 C ATOM 1988 C VAL A 128 3.447 -5.212 7.781 1.00 0.21 C ATOM 1989 O VAL A 128 4.231 -4.721 6.967 1.00 0.16 O ATOM 1990 CB VAL A 128 3.884 -4.131 9.991 1.00 0.42 C ATOM 1991 CG1 VAL A 128 2.506 -3.485 9.964 1.00 0.93 C ATOM 1992 CG2 VAL A 128 4.348 -4.346 11.424 1.00 1.27 C ATOM 0 H VAL A 128 5.955 -5.525 8.970 1.00 0.28 H new ATOM 0 HA VAL A 128 3.160 -6.137 9.697 1.00 0.32 H new ATOM 0 HB VAL A 128 4.587 -3.457 9.501 1.00 0.42 H new ATOM 0 HG11 VAL A 128 2.534 -2.544 10.514 1.00 0.93 H new ATOM 0 HG12 VAL A 128 2.214 -3.293 8.931 1.00 0.93 H new ATOM 0 HG13 VAL A 128 1.781 -4.154 10.428 1.00 0.93 H new ATOM 0 HG21 VAL A 128 4.349 -3.393 11.953 1.00 1.27 H new ATOM 0 HG22 VAL A 128 3.672 -5.038 11.925 1.00 1.27 H new ATOM 0 HG23 VAL A 128 5.356 -4.761 11.422 1.00 1.27 H new ATOM 2002 N PHE A 129 2.197 -5.548 7.471 1.00 0.23 N ATOM 2003 CA PHE A 129 1.671 -5.363 6.123 1.00 0.19 C ATOM 2004 C PHE A 129 0.281 -4.737 6.155 1.00 0.16 C ATOM 2005 O PHE A 129 -0.504 -4.983 7.075 1.00 0.18 O ATOM 2006 CB PHE A 129 1.599 -6.708 5.392 1.00 0.29 C ATOM 2007 CG PHE A 129 2.850 -7.533 5.500 1.00 0.26 C ATOM 2008 CD1 PHE A 129 3.055 -8.372 6.583 1.00 0.49 C ATOM 2009 CD2 PHE A 129 3.826 -7.466 4.518 1.00 0.30 C ATOM 2010 CE1 PHE A 129 4.206 -9.129 6.685 1.00 0.58 C ATOM 2011 CE2 PHE A 129 4.980 -8.218 4.614 1.00 0.38 C ATOM 2012 CZ PHE A 129 5.160 -9.069 5.696 1.00 0.46 C ATOM 0 H PHE A 129 1.532 -5.948 8.133 1.00 0.23 H new ATOM 0 HA PHE A 129 2.347 -4.691 5.594 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.763 -7.282 5.791 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.387 -6.526 4.339 1.00 0.29 H new ATOM 0 HD1 PHE A 129 2.305 -8.435 7.358 1.00 0.49 H new ATOM 0 HD2 PHE A 129 3.682 -6.817 3.667 1.00 0.30 H new ATOM 0 HE1 PHE A 129 4.357 -9.769 7.542 1.00 0.58 H new ATOM 0 HE2 PHE A 129 5.740 -8.144 3.850 1.00 0.38 H new ATOM 0 HZ PHE A 129 6.047 -9.682 5.761 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.019 -3.923 5.145 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.325 -3.283 5.043 1.00 0.16 C ATOM 2024 C ILE A 130 -2.386 -4.326 4.721 1.00 0.18 C ATOM 2025 O ILE A 130 -2.122 -5.268 3.974 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.351 -2.200 3.944 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.178 -1.229 4.108 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.675 -1.449 3.975 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.076 -0.207 2.992 1.00 0.25 C ATOM 0 H ILE A 130 0.624 -3.692 4.388 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.530 -2.808 6.003 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.251 -2.691 2.976 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.280 -0.707 5.059 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.750 -1.798 4.154 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.680 -0.688 3.195 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.494 -2.148 3.805 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.800 -0.973 4.947 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.777 0.447 3.174 1.00 0.25 H new ATOM 0 HD12 ILE A 130 0.057 -0.720 2.040 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -0.989 0.388 2.959 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.580 -4.168 5.281 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.635 -5.126 5.014 1.00 0.20 C ATOM 2043 C GLY A 131 -5.931 -4.808 5.727 1.00 0.16 C ATOM 2044 O GLY A 131 -5.935 -4.164 6.776 1.00 0.19 O ATOM 0 H GLY A 131 -3.834 -3.404 5.907 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.819 -5.162 3.940 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.298 -6.119 5.313 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.035 -5.270 5.149 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.353 -5.052 5.722 1.00 0.16 C ATOM 2050 C VAL A 132 -8.457 -5.706 7.095 1.00 0.17 C ATOM 2051 O VAL A 132 -8.503 -6.932 7.210 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.452 -5.610 4.797 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.822 -5.493 5.441 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.422 -4.892 3.459 1.00 0.22 C ATOM 0 H VAL A 132 -7.039 -5.801 4.278 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.496 -3.977 5.829 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.255 -6.669 4.630 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.577 -5.895 4.765 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -10.834 -6.056 6.375 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.039 -4.445 5.646 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.202 -5.294 2.813 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.592 -3.827 3.614 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.450 -5.040 2.989 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.492 -4.879 8.134 1.00 0.17 N ATOM 2065 CA LYS A 133 -8.578 -5.373 9.503 1.00 0.21 C ATOM 2066 C LYS A 133 -10.030 -5.626 9.900 1.00 0.22 C ATOM 2067 O LYS A 133 -10.516 -6.754 9.822 1.00 0.24 O ATOM 2068 CB LYS A 133 -7.924 -4.377 10.463 1.00 0.29 C ATOM 2069 CG LYS A 133 -7.812 -4.879 11.891 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.411 -3.763 12.843 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.127 -4.296 14.235 1.00 1.20 C ATOM 2072 NZ LYS A 133 -6.540 -3.253 15.121 1.00 2.26 N ATOM 0 H LYS A 133 -8.462 -3.863 8.054 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.043 -6.321 9.562 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -6.927 -4.134 10.095 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -8.500 -3.452 10.458 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.766 -5.302 12.205 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -7.076 -5.682 11.939 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -6.526 -3.256 12.459 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -8.208 -3.021 12.892 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -8.051 -4.669 14.676 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -6.443 -5.142 14.167 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -6.361 -3.658 16.062 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -5.645 -2.915 14.713 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -7.204 -2.457 15.207 1.00 2.26 H new ATOM 2086 N ASP A 134 -10.720 -4.571 10.325 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.120 -4.687 10.720 1.00 0.31 C ATOM 2088 C ASP A 134 -13.030 -4.498 9.513 1.00 0.28 C ATOM 2089 O ASP A 134 -13.753 -5.414 9.116 1.00 0.30 O ATOM 2090 CB ASP A 134 -12.456 -3.655 11.800 1.00 0.39 C ATOM 2091 CG ASP A 134 -11.670 -3.874 13.078 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -12.155 -4.621 13.952 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -10.568 -3.298 13.202 1.00 2.23 O ATOM 0 H ASP A 134 -10.334 -3.630 10.404 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.282 -5.685 11.127 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -12.251 -2.655 11.418 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -13.522 -3.700 12.021 1.00 0.39 H new ATOM 2098 N ASN A 135 -12.988 -3.304 8.933 1.00 0.27 N ATOM 2099 CA ASN A 135 -13.797 -2.983 7.764 1.00 0.27 C ATOM 2100 C ASN A 135 -13.073 -1.975 6.879 1.00 0.23 C ATOM 2101 O ASN A 135 -13.654 -1.418 5.948 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.155 -2.419 8.186 1.00 0.35 C ATOM 2103 CG ASN A 135 -15.916 -3.353 9.106 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -16.672 -4.211 8.652 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -15.720 -3.189 10.409 1.00 1.98 N ATOM 0 H ASN A 135 -12.398 -2.538 9.256 1.00 0.27 H new ATOM 0 HA ASN A 135 -13.959 -3.902 7.200 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.007 -1.463 8.688 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.755 -2.223 7.297 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -16.206 -3.788 11.077 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -15.084 -2.465 10.742 1.00 1.98 H new ATOM 2112 N HIS A 136 -11.797 -1.749 7.180 1.00 0.19 N ATOM 2113 CA HIS A 136 -10.989 -0.803 6.422 1.00 0.21 C ATOM 2114 C HIS A 136 -9.523 -1.219 6.412 1.00 0.19 C ATOM 2115 O HIS A 136 -9.160 -2.272 6.940 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.131 0.604 7.007 1.00 0.28 C ATOM 2117 CG HIS A 136 -10.853 0.672 8.477 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -11.846 0.628 9.433 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -9.686 0.784 9.155 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -11.301 0.711 10.635 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -9.993 0.806 10.494 1.00 0.49 N ATOM 0 H HIS A 136 -11.302 -2.209 7.944 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.350 -0.800 5.394 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.450 1.276 6.485 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.142 0.966 6.820 1.00 0.28 H new ATOM 0 HD2 HIS A 136 -8.698 0.845 8.723 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -11.836 0.702 11.573 1.00 1.15 H new ATOM 0 HE2 HIS A 136 -9.319 0.883 11.256 1.00 0.49 H new ATOM 2130 N LEU A 137 -8.684 -0.375 5.820 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.255 -0.651 5.732 1.00 0.22 C ATOM 2132 C LEU A 137 -6.565 -0.401 7.066 1.00 0.25 C ATOM 2133 O LEU A 137 -6.741 0.650 7.682 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.613 0.215 4.646 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.086 -0.069 3.220 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.463 0.918 2.246 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.749 -1.499 2.821 1.00 0.27 C ATOM 0 H LEU A 137 -8.970 0.507 5.394 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.132 -1.703 5.473 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -6.811 1.262 4.875 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.532 0.078 4.687 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.169 0.051 3.186 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.811 0.701 1.236 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.754 1.932 2.520 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.377 0.829 2.283 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -7.093 -1.683 1.803 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.670 -1.646 2.872 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.242 -2.193 3.502 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.778 -1.376 7.504 1.00 0.20 N ATOM 2150 CA ALA A 138 -5.056 -1.270 8.762 1.00 0.21 C ATOM 2151 C ALA A 138 -3.719 -1.996 8.685 1.00 0.22 C ATOM 2152 O ALA A 138 -3.537 -2.896 7.862 1.00 0.30 O ATOM 2153 CB ALA A 138 -5.894 -1.828 9.901 1.00 0.20 C ATOM 0 H ALA A 138 -5.624 -2.251 7.003 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.860 -0.215 8.953 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.340 -1.742 10.836 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.825 -1.266 9.977 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.118 -2.877 9.708 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.786 -1.589 9.538 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.466 -2.205 9.577 1.00 0.21 C ATOM 2161 C LEU A 139 -1.526 -3.536 10.315 1.00 0.22 C ATOM 2162 O LEU A 139 -1.411 -3.585 11.540 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.463 -1.269 10.260 1.00 0.23 C ATOM 2164 CG LEU A 139 -0.276 0.091 9.582 1.00 0.30 C ATOM 2165 CD1 LEU A 139 0.666 0.967 10.393 1.00 0.62 C ATOM 2166 CD2 LEU A 139 0.246 -0.086 8.164 1.00 0.82 C ATOM 0 H LEU A 139 -2.920 -0.835 10.212 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.137 -2.386 8.554 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.786 -1.104 11.288 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.504 -1.770 10.307 1.00 0.23 H new ATOM 0 HG LEU A 139 -1.246 0.586 9.531 1.00 0.30 H new ATOM 0 HD11 LEU A 139 0.787 1.929 9.896 1.00 0.62 H new ATOM 0 HD12 LEU A 139 0.251 1.123 11.389 1.00 0.62 H new ATOM 0 HD13 LEU A 139 1.636 0.478 10.477 1.00 0.62 H new ATOM 0 HD21 LEU A 139 0.373 0.891 7.698 1.00 0.82 H new ATOM 0 HD22 LEU A 139 1.206 -0.602 8.191 1.00 0.82 H new ATOM 0 HD23 LEU A 139 -0.466 -0.674 7.585 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.709 -4.615 9.560 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.801 -5.949 10.143 1.00 0.19 C ATOM 2180 C ILE A 140 -0.426 -6.597 10.259 1.00 0.25 C ATOM 2181 O ILE A 140 0.225 -6.880 9.252 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.724 -6.857 9.306 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.051 -6.148 9.027 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -2.963 -8.179 10.022 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -4.974 -6.925 8.114 1.00 0.44 C ATOM 0 H ILE A 140 -1.796 -4.592 8.544 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.223 -5.834 11.141 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.236 -7.068 8.354 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.560 -5.964 9.973 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -3.846 -5.175 8.580 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.617 -8.807 9.417 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.011 -8.687 10.175 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.433 -7.990 10.987 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -5.894 -6.361 7.961 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.484 -7.087 7.154 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.209 -7.888 8.568 1.00 0.44 H new ATOM 2197 N LYS A 141 0.009 -6.829 11.493 1.00 0.35 N ATOM 2198 CA LYS A 141 1.304 -7.448 11.745 1.00 0.44 C ATOM 2199 C LYS A 141 1.227 -8.958 11.539 1.00 0.32 C ATOM 2200 O LYS A 141 0.784 -9.693 12.423 1.00 0.50 O ATOM 2201 CB LYS A 141 1.775 -7.134 13.167 1.00 0.70 C ATOM 2202 CG LYS A 141 3.174 -7.640 13.474 1.00 0.79 C ATOM 2203 CD LYS A 141 3.633 -7.206 14.857 1.00 0.98 C ATOM 2204 CE LYS A 141 5.059 -7.654 15.137 1.00 1.45 C ATOM 2205 NZ LYS A 141 6.023 -7.077 14.160 1.00 2.04 N ATOM 0 H LYS A 141 -0.518 -6.597 12.335 1.00 0.35 H new ATOM 0 HA LYS A 141 2.024 -7.038 11.037 1.00 0.44 H new ATOM 0 HB2 LYS A 141 1.747 -6.055 13.319 1.00 0.70 H new ATOM 0 HB3 LYS A 141 1.075 -7.574 13.877 1.00 0.70 H new ATOM 0 HG2 LYS A 141 3.191 -8.728 13.409 1.00 0.79 H new ATOM 0 HG3 LYS A 141 3.870 -7.265 12.724 1.00 0.79 H new ATOM 0 HD2 LYS A 141 3.569 -6.121 14.939 1.00 0.98 H new ATOM 0 HD3 LYS A 141 2.965 -7.623 15.611 1.00 0.98 H new ATOM 0 HE2 LYS A 141 5.342 -7.355 16.146 1.00 1.45 H new ATOM 0 HE3 LYS A 141 5.112 -8.742 15.100 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 6.991 -7.174 14.528 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 5.945 -7.583 13.255 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 5.808 -6.070 14.013 1.00 2.04 H new ATOM 2219 N VAL A 142 1.658 -9.411 10.368 1.00 0.35 N ATOM 2220 CA VAL A 142 1.631 -10.832 10.039 1.00 0.41 C ATOM 2221 C VAL A 142 3.041 -11.404 9.925 1.00 0.49 C ATOM 2222 O VAL A 142 3.960 -10.734 9.453 1.00 0.70 O ATOM 2223 CB VAL A 142 0.874 -11.082 8.717 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.896 -12.557 8.351 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.555 -10.575 8.817 1.00 0.81 C ATOM 0 H VAL A 142 2.031 -8.815 9.629 1.00 0.35 H new ATOM 0 HA VAL A 142 1.110 -11.336 10.853 1.00 0.41 H new ATOM 0 HB VAL A 142 1.380 -10.530 7.925 1.00 0.56 H new ATOM 0 HG11 VAL A 142 0.356 -12.708 7.416 1.00 0.92 H new ATOM 0 HG12 VAL A 142 1.928 -12.887 8.232 1.00 0.92 H new ATOM 0 HG13 VAL A 142 0.419 -13.135 9.142 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.073 -10.760 7.876 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.070 -11.096 9.624 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.548 -9.505 9.023 1.00 0.81 H new ATOM 2328 N THR A 150 -2.812 -15.608 5.312 1.00 0.52 N ATOM 2329 CA THR A 150 -3.698 -14.524 5.721 1.00 0.47 C ATOM 2330 C THR A 150 -4.291 -13.810 4.508 1.00 0.37 C ATOM 2331 O THR A 150 -3.596 -13.075 3.807 1.00 0.35 O ATOM 2332 CB THR A 150 -2.955 -13.497 6.596 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.388 -14.148 7.738 1.00 0.83 O ATOM 2334 CG2 THR A 150 -3.894 -12.390 7.056 1.00 1.06 C ATOM 0 HA THR A 150 -4.503 -14.973 6.302 1.00 0.47 H new ATOM 0 HB THR A 150 -2.162 -13.052 5.996 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.250 -15.097 7.538 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.344 -11.679 7.672 1.00 1.06 H new ATOM 0 HG22 THR A 150 -4.304 -11.876 6.187 1.00 1.06 H new ATOM 0 HG23 THR A 150 -4.707 -12.822 7.639 1.00 1.06 H new ATOM 2342 N GLU A 151 -5.579 -14.037 4.266 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.271 -13.418 3.139 1.00 0.34 C ATOM 2344 C GLU A 151 -6.374 -11.906 3.315 1.00 0.28 C ATOM 2345 O GLU A 151 -6.594 -11.174 2.350 1.00 0.28 O ATOM 2346 CB GLU A 151 -7.669 -14.021 2.986 1.00 0.46 C ATOM 2347 CG GLU A 151 -7.667 -15.533 2.839 1.00 1.22 C ATOM 2348 CD GLU A 151 -9.065 -16.117 2.797 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -9.646 -16.346 3.879 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -9.579 -16.346 1.681 1.00 1.95 O ATOM 0 H GLU A 151 -6.166 -14.646 4.836 1.00 0.38 H new ATOM 0 HA GLU A 151 -5.690 -13.616 2.238 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -8.269 -13.750 3.854 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.152 -13.580 2.114 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -7.136 -15.805 1.927 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -7.118 -15.974 3.671 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.210 -11.446 4.551 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.293 -10.020 4.856 1.00 0.28 C ATOM 2359 C ASN A 152 -5.166 -9.241 4.183 1.00 0.29 C ATOM 2360 O ASN A 152 -5.392 -8.172 3.615 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.242 -9.800 6.369 1.00 0.37 C ATOM 2362 CG ASN A 152 -7.324 -10.568 7.102 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -7.115 -11.707 7.522 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -8.488 -9.949 7.258 1.00 1.29 N ATOM 0 H ASN A 152 -6.019 -12.039 5.359 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.242 -9.651 4.467 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.266 -10.105 6.745 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.347 -8.736 6.582 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -9.254 -10.417 7.742 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -8.616 -9.005 6.894 1.00 1.29 H new ATOM 2371 N ILE A 153 -3.954 -9.782 4.249 1.00 0.31 N ATOM 2372 CA ILE A 153 -2.792 -9.130 3.653 1.00 0.37 C ATOM 2373 C ILE A 153 -2.684 -9.419 2.158 1.00 0.38 C ATOM 2374 O ILE A 153 -1.654 -9.151 1.539 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.487 -9.565 4.348 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.352 -11.090 4.318 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -1.456 -9.046 5.779 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.029 -11.595 4.855 1.00 0.48 C ATOM 0 H ILE A 153 -3.750 -10.669 4.709 1.00 0.31 H new ATOM 0 HA ILE A 153 -2.934 -8.058 3.793 1.00 0.37 H new ATOM 0 HB ILE A 153 -0.641 -9.138 3.810 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.162 -11.529 4.901 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.473 -11.436 3.292 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -0.529 -9.360 6.260 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -1.511 -7.957 5.772 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.305 -9.449 6.331 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.006 -12.683 4.802 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.786 -11.186 4.258 1.00 0.48 H new ATOM 0 HD13 ILE A 153 0.087 -11.280 5.892 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.750 -9.967 1.580 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.767 -10.279 0.155 1.00 0.22 C ATOM 2392 C LEU A 154 -4.585 -9.245 -0.611 1.00 0.20 C ATOM 2393 O LEU A 154 -5.779 -9.076 -0.361 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.335 -11.681 -0.084 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.496 -12.830 0.482 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.156 -14.167 0.184 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.085 -12.796 -0.087 1.00 0.35 C ATOM 0 H LEU A 154 -4.610 -10.203 2.075 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.740 -10.252 -0.210 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.332 -11.731 0.353 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.450 -11.831 -1.158 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.433 -12.707 1.563 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.547 -14.973 0.593 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.146 -14.194 0.639 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.249 -14.294 -0.895 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.505 -13.621 0.328 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.128 -12.892 -1.172 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.610 -11.851 0.175 1.00 0.35 H new ATOM 2409 N PHE A 155 -3.934 -8.556 -1.543 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.600 -7.533 -2.340 1.00 0.18 C ATOM 2411 C PHE A 155 -4.637 -7.909 -3.815 1.00 0.17 C ATOM 2412 O PHE A 155 -3.853 -8.739 -4.279 1.00 0.20 O ATOM 2413 CB PHE A 155 -3.898 -6.186 -2.165 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.288 -5.468 -0.906 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -3.676 -5.773 0.298 1.00 0.43 C ATOM 2416 CD2 PHE A 155 -5.266 -4.489 -0.929 1.00 0.37 C ATOM 2417 CE1 PHE A 155 -4.033 -5.115 1.458 1.00 0.52 C ATOM 2418 CE2 PHE A 155 -5.628 -3.826 0.228 1.00 0.42 C ATOM 2419 CZ PHE A 155 -5.012 -4.139 1.423 1.00 0.42 C ATOM 0 H PHE A 155 -2.947 -8.688 -1.764 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.628 -7.455 -1.985 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -2.820 -6.344 -2.165 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.127 -5.552 -3.022 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -2.911 -6.534 0.330 1.00 0.43 H new ATOM 0 HD2 PHE A 155 -5.751 -4.241 -1.861 1.00 0.37 H new ATOM 0 HE1 PHE A 155 -3.549 -5.362 2.391 1.00 0.52 H new ATOM 0 HE2 PHE A 155 -6.392 -3.064 0.197 1.00 0.42 H new ATOM 0 HZ PHE A 155 -5.294 -3.623 2.329 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.555 -7.285 -4.546 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.710 -7.538 -5.972 1.00 0.21 C ATOM 2431 C LYS A 156 -5.683 -6.226 -6.748 1.00 0.22 C ATOM 2432 O LYS A 156 -6.332 -5.253 -6.362 1.00 0.28 O ATOM 2433 CB LYS A 156 -7.021 -8.280 -6.242 1.00 0.24 C ATOM 2434 CG LYS A 156 -7.085 -9.659 -5.605 1.00 0.27 C ATOM 2435 CD LYS A 156 -8.491 -10.237 -5.659 1.00 0.40 C ATOM 2436 CE LYS A 156 -8.926 -10.526 -7.088 1.00 0.93 C ATOM 2437 NZ LYS A 156 -8.079 -11.570 -7.729 1.00 1.38 N ATOM 0 H LYS A 156 -6.206 -6.596 -4.170 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.880 -8.161 -6.305 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.851 -7.679 -5.871 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -7.156 -8.380 -7.319 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -6.396 -10.330 -6.118 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.756 -9.597 -4.568 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -8.529 -11.156 -5.074 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -9.190 -9.538 -5.200 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -9.966 -10.851 -7.091 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -8.877 -9.609 -7.675 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -8.541 -11.907 -8.598 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -7.150 -11.167 -7.965 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -7.954 -12.367 -7.072 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.928 -6.206 -7.842 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.811 -5.012 -8.669 1.00 0.29 C ATOM 2453 C LEU A 157 -5.566 -5.176 -9.984 1.00 0.32 C ATOM 2454 O LEU A 157 -5.640 -6.274 -10.536 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.337 -4.705 -8.946 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.456 -4.563 -7.700 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.003 -4.359 -8.094 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -2.940 -3.410 -6.834 1.00 0.51 C ATOM 0 H LEU A 157 -4.388 -7.004 -8.176 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.255 -4.179 -8.124 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.928 -5.498 -9.572 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.276 -3.781 -9.522 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.529 -5.484 -7.121 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.393 -4.260 -7.196 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.659 -5.216 -8.674 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -0.913 -3.454 -8.695 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.303 -3.324 -5.954 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -2.897 -2.483 -7.405 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -3.968 -3.596 -6.521 1.00 0.51 H new ATOM 2470 N SER A 158 -6.127 -4.078 -10.476 1.00 0.41 N ATOM 2471 CA SER A 158 -6.876 -4.091 -11.728 1.00 0.48 C ATOM 2472 C SER A 158 -6.615 -2.816 -12.520 1.00 0.50 C ATOM 2473 O SER A 158 -6.953 -1.719 -12.072 1.00 0.69 O ATOM 2474 CB SER A 158 -8.374 -4.230 -11.454 1.00 0.57 C ATOM 2475 OG SER A 158 -9.091 -4.474 -12.651 1.00 1.47 O ATOM 0 H SER A 158 -6.077 -3.164 -10.026 1.00 0.41 H new ATOM 0 HA SER A 158 -6.542 -4.947 -12.315 1.00 0.48 H new ATOM 0 HB2 SER A 158 -8.544 -5.046 -10.752 1.00 0.57 H new ATOM 0 HB3 SER A 158 -8.746 -3.321 -10.982 1.00 0.57 H new ATOM 0 HG SER A 158 -10.046 -4.561 -12.448 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.015 -2.963 -13.695 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.715 -1.814 -14.539 1.00 0.66 C ATOM 2483 C GLU A 159 -6.938 -1.412 -15.359 1.00 0.60 C ATOM 2484 O GLU A 159 -7.113 -1.857 -16.493 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.538 -2.130 -15.465 1.00 0.94 C ATOM 2486 CG GLU A 159 -4.060 -0.933 -16.270 1.00 1.13 C ATOM 2487 CD GLU A 159 -2.865 -1.261 -17.145 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -1.722 -1.141 -16.659 1.00 2.23 O ATOM 2489 OE2 GLU A 159 -3.075 -1.636 -18.319 1.00 2.11 O ATOM 0 H GLU A 159 -5.728 -3.862 -14.083 1.00 0.58 H new ATOM 0 HA GLU A 159 -5.443 -0.977 -13.895 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -3.709 -2.511 -14.868 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -4.829 -2.926 -16.151 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -4.876 -0.571 -16.896 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -3.797 -0.123 -15.589 1.00 1.13 H new ATOM 2496 N THR A 160 -7.781 -0.569 -14.770 1.00 0.57 N ATOM 2497 CA THR A 160 -8.988 -0.099 -15.441 1.00 0.69 C ATOM 2498 C THR A 160 -9.146 1.411 -15.292 1.00 1.35 C ATOM 2499 O THR A 160 -8.697 2.144 -16.199 1.00 1.89 O ATOM 2500 CB THR A 160 -10.244 -0.796 -14.887 1.00 1.14 C ATOM 2501 OG1 THR A 160 -10.324 -0.614 -13.469 1.00 1.94 O ATOM 2502 CG2 THR A 160 -10.225 -2.281 -15.215 1.00 1.98 C ATOM 2503 OXT THR A 160 -9.718 1.851 -14.271 1.00 2.15 O ATOM 0 H THR A 160 -7.650 -0.197 -13.829 1.00 0.57 H new ATOM 0 HA THR A 160 -8.882 -0.346 -16.497 1.00 0.69 H new ATOM 0 HB THR A 160 -11.119 -0.347 -15.357 1.00 1.14 H new ATOM 0 HG1 THR A 160 -10.152 0.326 -13.250 1.00 1.94 H new ATOM 0 HG21 THR A 160 -11.122 -2.754 -14.814 1.00 1.98 H new ATOM 0 HG22 THR A 160 -10.197 -2.414 -16.296 1.00 1.98 H new ATOM 0 HG23 THR A 160 -9.343 -2.741 -14.770 1.00 1.98 H new