USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 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 91 MET CE :methyl 151:sc= -0.995 (180deg=-0.0729) USER MOD Set 1.2: A 95 GLN : amide:sc= -1.86 K(o=-2.9,f=-2.2!) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00442 X(o=-0.0044,f=5.9e-05) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0167) USER MOD Single : A 28 MET CE :methyl -118:sc= -0.0572 (180deg=-0.162) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl -136:sc= -0.967 (180deg=-3.24!) USER MOD Single : A 45 LYS NZ :NH3+ -126:sc= -0.0241 (180deg=-2.42!) USER MOD Single : A 53 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 57 THR OG1 : rot 83:sc= -0.534 USER MOD Single : A 61 SER OG : rot -116:sc= -1.1 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -58:sc= 0.713 USER MOD Single : A 70 HIS : no HD1:sc= -1.01 K(o=-1,f=-1.5) USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.0742) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0285) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc=0.000935 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.7!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -147:sc= -0.403 (180deg=-1.48!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.75) USER MOD Single : A 104 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 106 TYR OH : rot -136:sc= -0.152 USER MOD Single : A 107 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0324) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.8) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0703 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= -0.0886 X(o=-0.089,f=-0.47) USER MOD Single : A 130 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 171:sc= -0.0109 (180deg=-0.194) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 SER OG : rot -69:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 4.757 12.461 -13.419 1.00 31.42 N ATOM 123 CA ASP A 12 3.732 13.446 -13.745 1.00 23.21 C ATOM 124 C ASP A 12 3.904 14.707 -12.904 1.00 32.12 C ATOM 125 O ASP A 12 3.522 15.801 -13.320 1.00 72.22 O ATOM 126 CB ASP A 12 2.339 12.856 -13.524 1.00 34.12 C ATOM 127 CG ASP A 12 1.687 12.409 -14.818 1.00 23.44 C ATOM 128 OD1 ASP A 12 1.610 13.228 -15.758 1.00 21.45 O ATOM 129 OD2 ASP A 12 1.256 11.239 -14.891 1.00 14.33 O ATOM 0 HA ASP A 12 3.841 13.714 -14.796 1.00 23.21 H new ATOM 0 HB2 ASP A 12 2.411 12.007 -12.845 1.00 34.12 H new ATOM 0 HB3 ASP A 12 1.706 13.599 -13.039 1.00 34.12 H new ATOM 134 N LYS A 13 4.480 14.547 -11.717 1.00 71.23 N ATOM 135 CA LYS A 13 4.703 15.671 -10.816 1.00 53.34 C ATOM 136 C LYS A 13 5.767 16.611 -11.373 1.00 4.44 C ATOM 137 O LYS A 13 5.631 17.833 -11.300 1.00 74.31 O ATOM 138 CB LYS A 13 5.124 15.168 -9.434 1.00 14.12 C ATOM 139 CG LYS A 13 5.689 16.256 -8.537 1.00 32.33 C ATOM 140 CD LYS A 13 5.084 16.200 -7.144 1.00 11.01 C ATOM 141 CE LYS A 13 5.767 17.178 -6.200 1.00 70.11 C ATOM 142 NZ LYS A 13 5.703 16.719 -4.785 1.00 14.53 N ATOM 0 H LYS A 13 4.801 13.648 -11.357 1.00 71.23 H new ATOM 0 HA LYS A 13 3.767 16.223 -10.725 1.00 53.34 H new ATOM 0 HB2 LYS A 13 4.262 14.715 -8.943 1.00 14.12 H new ATOM 0 HB3 LYS A 13 5.871 14.383 -9.554 1.00 14.12 H new ATOM 0 HG2 LYS A 13 6.771 16.147 -8.469 1.00 32.33 H new ATOM 0 HG3 LYS A 13 5.494 17.232 -8.981 1.00 32.33 H new ATOM 0 HD2 LYS A 13 4.020 16.429 -7.199 1.00 11.01 H new ATOM 0 HD3 LYS A 13 5.173 15.188 -6.748 1.00 11.01 H new ATOM 0 HE2 LYS A 13 6.809 17.300 -6.495 1.00 70.11 H new ATOM 0 HE3 LYS A 13 5.294 18.156 -6.286 1.00 70.11 H new ATOM 0 HZ1 LYS A 13 6.179 17.412 -4.173 1.00 14.53 H new ATOM 0 HZ2 LYS A 13 4.709 16.626 -4.495 1.00 14.53 H new ATOM 0 HZ3 LYS A 13 6.176 15.797 -4.697 1.00 14.53 H new ATOM 156 N VAL A 14 6.828 16.034 -11.929 1.00 54.34 N ATOM 157 CA VAL A 14 7.914 16.821 -12.501 1.00 23.24 C ATOM 158 C VAL A 14 7.441 17.613 -13.714 1.00 73.31 C ATOM 159 O VAL A 14 7.865 18.748 -13.932 1.00 31.11 O ATOM 160 CB VAL A 14 9.097 15.926 -12.915 1.00 62.32 C ATOM 161 CG1 VAL A 14 8.644 14.869 -13.911 1.00 40.12 C ATOM 162 CG2 VAL A 14 10.224 16.767 -13.494 1.00 43.32 C ATOM 0 H VAL A 14 6.958 15.025 -11.995 1.00 54.34 H new ATOM 0 HA VAL A 14 8.245 17.513 -11.727 1.00 23.24 H new ATOM 0 HB VAL A 14 9.473 15.417 -12.027 1.00 62.32 H new ATOM 0 HG11 VAL A 14 9.493 14.246 -14.192 1.00 40.12 H new ATOM 0 HG12 VAL A 14 7.873 14.247 -13.456 1.00 40.12 H new ATOM 0 HG13 VAL A 14 8.241 15.355 -14.799 1.00 40.12 H new ATOM 0 HG21 VAL A 14 11.052 16.118 -13.781 1.00 43.32 H new ATOM 0 HG22 VAL A 14 9.863 17.305 -14.371 1.00 43.32 H new ATOM 0 HG23 VAL A 14 10.566 17.482 -12.746 1.00 43.32 H new ATOM 172 N TYR A 15 6.559 17.007 -14.501 1.00 53.02 N ATOM 173 CA TYR A 15 6.028 17.655 -15.695 1.00 20.22 C ATOM 174 C TYR A 15 5.030 18.748 -15.324 1.00 22.43 C ATOM 175 O TYR A 15 4.763 19.653 -16.113 1.00 62.22 O ATOM 176 CB TYR A 15 5.358 16.624 -16.605 1.00 15.14 C ATOM 177 CG TYR A 15 4.648 17.235 -17.792 1.00 21.00 C ATOM 178 CD1 TYR A 15 5.323 18.066 -18.677 1.00 51.24 C ATOM 179 CD2 TYR A 15 3.303 16.980 -18.029 1.00 32.12 C ATOM 180 CE1 TYR A 15 4.678 18.627 -19.763 1.00 23.01 C ATOM 181 CE2 TYR A 15 2.651 17.535 -19.113 1.00 15.14 C ATOM 182 CZ TYR A 15 3.342 18.358 -19.976 1.00 44.44 C ATOM 183 OH TYR A 15 2.697 18.914 -21.057 1.00 61.14 O ATOM 0 H TYR A 15 6.197 16.068 -14.334 1.00 53.02 H new ATOM 0 HA TYR A 15 6.860 18.114 -16.229 1.00 20.22 H new ATOM 0 HB2 TYR A 15 6.112 15.924 -16.964 1.00 15.14 H new ATOM 0 HB3 TYR A 15 4.641 16.047 -16.021 1.00 15.14 H new ATOM 0 HD1 TYR A 15 6.369 18.277 -18.514 1.00 51.24 H new ATOM 0 HD2 TYR A 15 2.758 16.337 -17.354 1.00 32.12 H new ATOM 0 HE1 TYR A 15 5.217 19.272 -20.441 1.00 23.01 H new ATOM 0 HE2 TYR A 15 1.605 17.325 -19.283 1.00 15.14 H new ATOM 0 HH TYR A 15 1.761 18.624 -21.064 1.00 61.14 H new ATOM 193 N GLU A 16 4.483 18.655 -14.116 1.00 23.15 N ATOM 194 CA GLU A 16 3.515 19.635 -13.639 1.00 53.30 C ATOM 195 C GLU A 16 4.216 20.898 -13.147 1.00 0.05 C ATOM 196 O GLU A 16 3.899 22.005 -13.579 1.00 1.31 O ATOM 197 CB GLU A 16 2.664 19.040 -12.515 1.00 51.02 C ATOM 198 CG GLU A 16 1.664 18.001 -12.994 1.00 21.21 C ATOM 199 CD GLU A 16 0.232 18.494 -12.926 1.00 50.55 C ATOM 200 OE1 GLU A 16 -0.207 18.896 -11.829 1.00 4.34 O ATOM 201 OE2 GLU A 16 -0.450 18.479 -13.973 1.00 11.04 O ATOM 0 H GLU A 16 4.694 17.911 -13.450 1.00 23.15 H new ATOM 0 HA GLU A 16 2.866 19.902 -14.473 1.00 53.30 H new ATOM 0 HB2 GLU A 16 3.322 18.585 -11.775 1.00 51.02 H new ATOM 0 HB3 GLU A 16 2.127 19.844 -12.012 1.00 51.02 H new ATOM 0 HG2 GLU A 16 1.900 17.722 -14.021 1.00 21.21 H new ATOM 0 HG3 GLU A 16 1.763 17.100 -12.388 1.00 21.21 H new ATOM 208 N ASN A 17 5.170 20.722 -12.239 1.00 25.25 N ATOM 209 CA ASN A 17 5.916 21.846 -11.686 1.00 4.44 C ATOM 210 C ASN A 17 6.507 22.707 -12.798 1.00 53.33 C ATOM 211 O ASN A 17 6.519 23.935 -12.708 1.00 1.00 O ATOM 212 CB ASN A 17 7.033 21.343 -10.768 1.00 54.31 C ATOM 213 CG ASN A 17 6.517 20.930 -9.403 1.00 71.02 C ATOM 214 OD1 ASN A 17 6.537 19.751 -9.051 1.00 32.51 O ATOM 215 ND2 ASN A 17 6.051 21.902 -8.628 1.00 4.14 N ATOM 0 H ASN A 17 5.445 19.811 -11.870 1.00 25.25 H new ATOM 0 HA ASN A 17 5.225 22.457 -11.105 1.00 4.44 H new ATOM 0 HB2 ASN A 17 7.531 20.494 -11.237 1.00 54.31 H new ATOM 0 HB3 ASN A 17 7.782 22.126 -10.649 1.00 54.31 H new ATOM 0 HD21 ASN A 17 5.690 21.685 -7.699 1.00 4.14 H new ATOM 0 HD22 ASN A 17 6.054 22.866 -8.962 1.00 4.14 H new ATOM 222 N VAL A 18 6.995 22.055 -13.848 1.00 60.43 N ATOM 223 CA VAL A 18 7.585 22.759 -14.980 1.00 3.51 C ATOM 224 C VAL A 18 6.609 23.773 -15.566 1.00 72.22 C ATOM 225 O VAL A 18 7.013 24.740 -16.212 1.00 50.22 O ATOM 226 CB VAL A 18 8.018 21.780 -16.087 1.00 44.31 C ATOM 227 CG1 VAL A 18 8.544 22.539 -17.296 1.00 4.43 C ATOM 228 CG2 VAL A 18 9.065 20.810 -15.560 1.00 74.31 C ATOM 0 H VAL A 18 6.993 21.039 -13.938 1.00 60.43 H new ATOM 0 HA VAL A 18 8.465 23.281 -14.604 1.00 3.51 H new ATOM 0 HB VAL A 18 7.147 21.205 -16.400 1.00 44.31 H new ATOM 0 HG11 VAL A 18 8.845 21.830 -18.068 1.00 4.43 H new ATOM 0 HG12 VAL A 18 7.761 23.189 -17.686 1.00 4.43 H new ATOM 0 HG13 VAL A 18 9.403 23.142 -17.002 1.00 4.43 H new ATOM 0 HG21 VAL A 18 9.360 20.125 -16.355 1.00 74.31 H new ATOM 0 HG22 VAL A 18 9.938 21.367 -15.219 1.00 74.31 H new ATOM 0 HG23 VAL A 18 8.649 20.242 -14.728 1.00 74.31 H new ATOM 238 N THR A 19 5.319 23.545 -15.337 1.00 2.25 N ATOM 239 CA THR A 19 4.284 24.437 -15.842 1.00 53.41 C ATOM 240 C THR A 19 3.946 25.520 -14.824 1.00 14.22 C ATOM 241 O THR A 19 3.887 26.703 -15.157 1.00 72.11 O ATOM 242 CB THR A 19 3.000 23.664 -16.197 1.00 71.23 C ATOM 243 OG1 THR A 19 3.310 22.577 -17.077 1.00 42.51 O ATOM 244 CG2 THR A 19 1.980 24.581 -16.856 1.00 22.14 C ATOM 0 H THR A 19 4.967 22.749 -14.805 1.00 2.25 H new ATOM 0 HA THR A 19 4.681 24.902 -16.745 1.00 53.41 H new ATOM 0 HB THR A 19 2.571 23.273 -15.274 1.00 71.23 H new ATOM 0 HG1 THR A 19 2.489 22.089 -17.297 1.00 42.51 H new ATOM 0 HG21 THR A 19 1.082 24.012 -17.097 1.00 22.14 H new ATOM 0 HG22 THR A 19 1.724 25.391 -16.173 1.00 22.14 H new ATOM 0 HG23 THR A 19 2.402 24.998 -17.770 1.00 22.14 H new ATOM 252 N GLY A 20 3.724 25.108 -13.579 1.00 65.42 N ATOM 253 CA GLY A 20 3.395 26.056 -12.531 1.00 25.31 C ATOM 254 C GLY A 20 4.356 27.227 -12.487 1.00 0.45 C ATOM 255 O GLY A 20 3.935 28.385 -12.480 1.00 1.14 O ATOM 0 H GLY A 20 3.766 24.134 -13.278 1.00 65.42 H new ATOM 0 HA2 GLY A 20 2.382 26.427 -12.686 1.00 25.31 H new ATOM 0 HA3 GLY A 20 3.404 25.546 -11.568 1.00 25.31 H new ATOM 259 N LEU A 21 5.650 26.929 -12.455 1.00 30.43 N ATOM 260 CA LEU A 21 6.674 27.967 -12.409 1.00 20.41 C ATOM 261 C LEU A 21 6.531 28.925 -13.587 1.00 61.10 C ATOM 262 O LEU A 21 6.745 30.130 -13.451 1.00 31.55 O ATOM 263 CB LEU A 21 8.068 27.336 -12.416 1.00 12.34 C ATOM 264 CG LEU A 21 8.412 26.482 -13.636 1.00 42.12 C ATOM 265 CD1 LEU A 21 9.105 27.323 -14.697 1.00 62.55 C ATOM 266 CD2 LEU A 21 9.286 25.303 -13.233 1.00 14.03 C ATOM 0 H LEU A 21 6.015 25.977 -12.460 1.00 30.43 H new ATOM 0 HA LEU A 21 6.542 28.533 -11.487 1.00 20.41 H new ATOM 0 HB2 LEU A 21 8.806 28.134 -12.336 1.00 12.34 H new ATOM 0 HB3 LEU A 21 8.169 26.717 -11.524 1.00 12.34 H new ATOM 0 HG LEU A 21 7.485 26.094 -14.057 1.00 42.12 H new ATOM 0 HD11 LEU A 21 9.343 26.699 -15.558 1.00 62.55 H new ATOM 0 HD12 LEU A 21 8.445 28.133 -15.007 1.00 62.55 H new ATOM 0 HD13 LEU A 21 10.025 27.741 -14.287 1.00 62.55 H new ATOM 0 HD21 LEU A 21 9.521 24.706 -14.114 1.00 14.03 H new ATOM 0 HD22 LEU A 21 10.210 25.671 -12.787 1.00 14.03 H new ATOM 0 HD23 LEU A 21 8.754 24.686 -12.509 1.00 14.03 H new ATOM 278 N VAL A 22 6.166 28.382 -14.744 1.00 62.31 N ATOM 279 CA VAL A 22 5.991 29.189 -15.946 1.00 20.52 C ATOM 280 C VAL A 22 4.857 30.192 -15.773 1.00 53.43 C ATOM 281 O VAL A 22 5.052 31.399 -15.924 1.00 33.30 O ATOM 282 CB VAL A 22 5.700 28.308 -17.176 1.00 30.04 C ATOM 283 CG1 VAL A 22 5.433 29.171 -18.399 1.00 72.13 C ATOM 284 CG2 VAL A 22 6.854 27.350 -17.430 1.00 3.41 C ATOM 0 H VAL A 22 5.986 27.387 -14.874 1.00 62.31 H new ATOM 0 HA VAL A 22 6.926 29.726 -16.106 1.00 20.52 H new ATOM 0 HB VAL A 22 4.806 27.718 -16.976 1.00 30.04 H new ATOM 0 HG11 VAL A 22 5.229 28.532 -19.258 1.00 72.13 H new ATOM 0 HG12 VAL A 22 4.571 29.812 -18.211 1.00 72.13 H new ATOM 0 HG13 VAL A 22 6.307 29.789 -18.606 1.00 72.13 H new ATOM 0 HG21 VAL A 22 6.631 26.735 -18.302 1.00 3.41 H new ATOM 0 HG22 VAL A 22 7.766 27.919 -17.610 1.00 3.41 H new ATOM 0 HG23 VAL A 22 6.992 26.708 -16.560 1.00 3.41 H new ATOM 294 N LYS A 23 3.670 29.687 -15.456 1.00 32.32 N ATOM 295 CA LYS A 23 2.502 30.538 -15.260 1.00 43.13 C ATOM 296 C LYS A 23 2.737 31.531 -14.126 1.00 53.04 C ATOM 297 O LYS A 23 2.103 32.584 -14.070 1.00 15.10 O ATOM 298 CB LYS A 23 1.268 29.685 -14.958 1.00 62.04 C ATOM 299 CG LYS A 23 1.346 28.950 -13.631 1.00 43.52 C ATOM 300 CD LYS A 23 -0.014 28.425 -13.204 1.00 1.44 C ATOM 301 CE LYS A 23 -0.909 29.545 -12.696 1.00 55.34 C ATOM 302 NZ LYS A 23 -2.050 29.805 -13.619 1.00 25.43 N ATOM 0 H LYS A 23 3.491 28.691 -15.329 1.00 32.32 H new ATOM 0 HA LYS A 23 2.333 31.097 -16.180 1.00 43.13 H new ATOM 0 HB2 LYS A 23 0.386 30.325 -14.958 1.00 62.04 H new ATOM 0 HB3 LYS A 23 1.134 28.958 -15.759 1.00 62.04 H new ATOM 0 HG2 LYS A 23 2.048 28.120 -13.714 1.00 43.52 H new ATOM 0 HG3 LYS A 23 1.735 29.621 -12.865 1.00 43.52 H new ATOM 0 HD2 LYS A 23 -0.494 27.928 -14.047 1.00 1.44 H new ATOM 0 HD3 LYS A 23 0.113 27.676 -12.422 1.00 1.44 H new ATOM 0 HE2 LYS A 23 -1.292 29.285 -11.709 1.00 55.34 H new ATOM 0 HE3 LYS A 23 -0.321 30.455 -12.580 1.00 55.34 H new ATOM 0 HZ1 LYS A 23 -2.516 30.695 -13.352 1.00 25.43 H new ATOM 0 HZ2 LYS A 23 -1.698 29.878 -14.595 1.00 25.43 H new ATOM 0 HZ3 LYS A 23 -2.733 29.024 -13.555 1.00 25.43 H new ATOM 316 N ALA A 24 3.652 31.189 -13.226 1.00 64.31 N ATOM 317 CA ALA A 24 3.973 32.052 -12.096 1.00 73.10 C ATOM 318 C ALA A 24 4.612 33.355 -12.564 1.00 72.13 C ATOM 319 O ALA A 24 4.150 34.443 -12.220 1.00 43.13 O ATOM 320 CB ALA A 24 4.894 31.329 -11.124 1.00 41.34 C ATOM 0 H ALA A 24 4.185 30.320 -13.257 1.00 64.31 H new ATOM 0 HA ALA A 24 3.043 32.298 -11.583 1.00 73.10 H new ATOM 0 HB1 ALA A 24 5.125 31.986 -10.285 1.00 41.34 H new ATOM 0 HB2 ALA A 24 4.400 30.430 -10.756 1.00 41.34 H new ATOM 0 HB3 ALA A 24 5.817 31.053 -11.634 1.00 41.34 H new ATOM 326 N VAL A 25 5.677 33.237 -13.351 1.00 1.14 N ATOM 327 CA VAL A 25 6.379 34.406 -13.866 1.00 65.15 C ATOM 328 C VAL A 25 5.435 35.317 -14.643 1.00 32.45 C ATOM 329 O VAL A 25 5.698 36.509 -14.802 1.00 73.03 O ATOM 330 CB VAL A 25 7.550 33.999 -14.782 1.00 33.05 C ATOM 331 CG1 VAL A 25 7.050 33.698 -16.186 1.00 53.53 C ATOM 332 CG2 VAL A 25 8.610 35.089 -14.806 1.00 43.21 C ATOM 0 H VAL A 25 6.072 32.344 -13.645 1.00 1.14 H new ATOM 0 HA VAL A 25 6.771 34.945 -13.003 1.00 65.15 H new ATOM 0 HB VAL A 25 8.004 33.092 -14.382 1.00 33.05 H new ATOM 0 HG11 VAL A 25 7.891 33.413 -16.818 1.00 53.53 H new ATOM 0 HG12 VAL A 25 6.330 32.880 -16.148 1.00 53.53 H new ATOM 0 HG13 VAL A 25 6.570 34.585 -16.599 1.00 53.53 H new ATOM 0 HG21 VAL A 25 9.429 34.785 -15.457 1.00 43.21 H new ATOM 0 HG22 VAL A 25 8.172 36.014 -15.181 1.00 43.21 H new ATOM 0 HG23 VAL A 25 8.989 35.250 -13.797 1.00 43.21 H new ATOM 342 N ILE A 26 4.334 34.747 -15.122 1.00 42.33 N ATOM 343 CA ILE A 26 3.349 35.509 -15.880 1.00 62.44 C ATOM 344 C ILE A 26 2.476 36.351 -14.957 1.00 35.52 C ATOM 345 O ILE A 26 2.440 37.575 -15.067 1.00 55.54 O ATOM 346 CB ILE A 26 2.448 34.584 -16.720 1.00 15.14 C ATOM 347 CG1 ILE A 26 3.299 33.675 -17.609 1.00 13.41 C ATOM 348 CG2 ILE A 26 1.484 35.406 -17.562 1.00 14.32 C ATOM 349 CD1 ILE A 26 4.096 34.426 -18.652 1.00 50.04 C ATOM 0 H ILE A 26 4.102 33.761 -14.999 1.00 42.33 H new ATOM 0 HA ILE A 26 3.904 36.167 -16.549 1.00 62.44 H new ATOM 0 HB ILE A 26 1.866 33.957 -16.044 1.00 15.14 H new ATOM 0 HG12 ILE A 26 3.984 33.104 -16.982 1.00 13.41 H new ATOM 0 HG13 ILE A 26 2.649 32.956 -18.108 1.00 13.41 H new ATOM 0 HG21 ILE A 26 0.854 34.738 -18.150 1.00 14.32 H new ATOM 0 HG22 ILE A 26 0.858 36.014 -16.909 1.00 14.32 H new ATOM 0 HG23 ILE A 26 2.048 36.055 -18.231 1.00 14.32 H new ATOM 0 HD11 ILE A 26 4.675 33.719 -19.246 1.00 50.04 H new ATOM 0 HD12 ILE A 26 3.416 34.975 -19.303 1.00 50.04 H new ATOM 0 HD13 ILE A 26 4.771 35.126 -18.160 1.00 50.04 H new ATOM 361 N GLU A 27 1.774 35.684 -14.045 1.00 1.41 N ATOM 362 CA GLU A 27 0.901 36.373 -13.101 1.00 62.50 C ATOM 363 C GLU A 27 1.657 37.475 -12.366 1.00 1.54 C ATOM 364 O GLU A 27 1.221 38.626 -12.333 1.00 34.33 O ATOM 365 CB GLU A 27 0.319 35.379 -12.093 1.00 53.25 C ATOM 366 CG GLU A 27 -1.194 35.450 -11.974 1.00 54.11 C ATOM 367 CD GLU A 27 -1.709 34.816 -10.696 1.00 71.05 C ATOM 368 OE1 GLU A 27 -1.372 35.321 -9.605 1.00 55.03 O ATOM 369 OE2 GLU A 27 -2.449 33.814 -10.789 1.00 13.25 O ATOM 0 H GLU A 27 1.793 34.670 -13.940 1.00 1.41 H new ATOM 0 HA GLU A 27 0.086 36.829 -13.664 1.00 62.50 H new ATOM 0 HB2 GLU A 27 0.605 34.369 -12.385 1.00 53.25 H new ATOM 0 HB3 GLU A 27 0.761 35.565 -11.114 1.00 53.25 H new ATOM 0 HG2 GLU A 27 -1.509 36.493 -12.010 1.00 54.11 H new ATOM 0 HG3 GLU A 27 -1.646 34.950 -12.831 1.00 54.11 H new ATOM 376 N MET A 28 2.793 37.115 -11.777 1.00 14.15 N ATOM 377 CA MET A 28 3.610 38.074 -11.042 1.00 33.11 C ATOM 378 C MET A 28 4.004 39.248 -11.933 1.00 33.31 C ATOM 379 O MET A 28 3.901 40.406 -11.530 1.00 42.43 O ATOM 380 CB MET A 28 4.864 37.392 -10.493 1.00 22.14 C ATOM 381 CG MET A 28 4.565 36.246 -9.540 1.00 1.04 C ATOM 382 SD MET A 28 5.932 35.904 -8.414 1.00 72.23 S ATOM 383 CE MET A 28 7.159 35.269 -9.555 1.00 14.43 C ATOM 0 H MET A 28 3.168 36.167 -11.794 1.00 14.15 H new ATOM 0 HA MET A 28 3.018 38.455 -10.210 1.00 33.11 H new ATOM 0 HB2 MET A 28 5.457 37.015 -11.326 1.00 22.14 H new ATOM 0 HB3 MET A 28 5.474 38.133 -9.977 1.00 22.14 H new ATOM 0 HG2 MET A 28 3.673 36.484 -8.961 1.00 1.04 H new ATOM 0 HG3 MET A 28 4.341 35.348 -10.116 1.00 1.04 H new ATOM 0 HE1 MET A 28 7.401 34.239 -9.293 1.00 14.43 H new ATOM 0 HE2 MET A 28 6.763 35.302 -10.570 1.00 14.43 H new ATOM 0 HE3 MET A 28 8.060 35.879 -9.497 1.00 14.43 H new ATOM 393 N SER A 29 4.455 38.940 -13.145 1.00 32.23 N ATOM 394 CA SER A 29 4.868 39.969 -14.091 1.00 0.51 C ATOM 395 C SER A 29 3.706 40.902 -14.421 1.00 4.15 C ATOM 396 O SER A 29 3.909 42.019 -14.898 1.00 35.41 O ATOM 397 CB SER A 29 5.402 39.329 -15.373 1.00 62.34 C ATOM 398 OG SER A 29 5.778 40.316 -16.318 1.00 71.43 O ATOM 0 H SER A 29 4.543 37.986 -13.495 1.00 32.23 H new ATOM 0 HA SER A 29 5.662 40.555 -13.628 1.00 0.51 H new ATOM 0 HB2 SER A 29 6.261 38.700 -15.139 1.00 62.34 H new ATOM 0 HB3 SER A 29 4.640 38.680 -15.804 1.00 62.34 H new ATOM 0 HG SER A 29 6.117 39.881 -17.128 1.00 71.43 H new ATOM 404 N SER A 30 2.489 40.435 -14.162 1.00 41.00 N ATOM 405 CA SER A 30 1.294 41.225 -14.434 1.00 73.53 C ATOM 406 C SER A 30 1.140 42.348 -13.413 1.00 62.41 C ATOM 407 O SER A 30 1.101 43.526 -13.769 1.00 34.40 O ATOM 408 CB SER A 30 0.052 40.331 -14.417 1.00 50.12 C ATOM 409 OG SER A 30 -0.866 40.715 -15.426 1.00 72.31 O ATOM 0 H SER A 30 2.305 39.514 -13.764 1.00 41.00 H new ATOM 0 HA SER A 30 1.400 41.670 -15.423 1.00 73.53 H new ATOM 0 HB2 SER A 30 0.346 39.292 -14.565 1.00 50.12 H new ATOM 0 HB3 SER A 30 -0.430 40.390 -13.441 1.00 50.12 H new ATOM 0 HG SER A 30 -1.650 40.128 -15.396 1.00 72.31 H new ATOM 415 N LYS A 31 1.054 41.974 -12.141 1.00 11.11 N ATOM 416 CA LYS A 31 0.906 42.948 -11.066 1.00 31.44 C ATOM 417 C LYS A 31 2.239 43.192 -10.366 1.00 31.05 C ATOM 418 O LYS A 31 2.276 43.539 -9.184 1.00 72.55 O ATOM 419 CB LYS A 31 -0.134 42.464 -10.052 1.00 4.22 C ATOM 420 CG LYS A 31 -1.420 41.969 -10.689 1.00 54.20 C ATOM 421 CD LYS A 31 -2.355 41.360 -9.657 1.00 52.35 C ATOM 422 CE LYS A 31 -2.135 39.861 -9.522 1.00 54.31 C ATOM 423 NZ LYS A 31 -3.051 39.085 -10.403 1.00 61.32 N ATOM 0 H LYS A 31 1.084 41.003 -11.829 1.00 11.11 H new ATOM 0 HA LYS A 31 0.568 43.887 -11.504 1.00 31.44 H new ATOM 0 HB2 LYS A 31 0.299 41.661 -9.456 1.00 4.22 H new ATOM 0 HB3 LYS A 31 -0.368 43.279 -9.367 1.00 4.22 H new ATOM 0 HG2 LYS A 31 -1.921 42.797 -11.191 1.00 54.20 H new ATOM 0 HG3 LYS A 31 -1.187 41.227 -11.453 1.00 54.20 H new ATOM 0 HD2 LYS A 31 -2.196 41.841 -8.692 1.00 52.35 H new ATOM 0 HD3 LYS A 31 -3.389 41.553 -9.943 1.00 52.35 H new ATOM 0 HE2 LYS A 31 -1.101 39.622 -9.772 1.00 54.31 H new ATOM 0 HE3 LYS A 31 -2.289 39.563 -8.485 1.00 54.31 H new ATOM 0 HZ1 LYS A 31 -2.870 38.068 -10.282 1.00 61.32 H new ATOM 0 HZ2 LYS A 31 -4.037 39.294 -10.148 1.00 61.32 H new ATOM 0 HZ3 LYS A 31 -2.886 39.350 -11.395 1.00 61.32 H new ATOM 437 N ILE A 32 3.330 43.011 -11.101 1.00 63.43 N ATOM 438 CA ILE A 32 4.665 43.214 -10.551 1.00 14.21 C ATOM 439 C ILE A 32 4.853 44.654 -10.084 1.00 31.40 C ATOM 440 O ILE A 32 5.444 44.903 -9.033 1.00 75.25 O ATOM 441 CB ILE A 32 5.757 42.874 -11.582 1.00 31.31 C ATOM 442 CG1 ILE A 32 7.145 43.133 -10.992 1.00 35.35 C ATOM 443 CG2 ILE A 32 5.556 43.685 -12.853 1.00 64.33 C ATOM 444 CD1 ILE A 32 7.417 42.352 -9.725 1.00 4.53 C ATOM 0 H ILE A 32 3.316 42.724 -12.080 1.00 63.43 H new ATOM 0 HA ILE A 32 4.761 42.542 -9.698 1.00 14.21 H new ATOM 0 HB ILE A 32 5.682 41.816 -11.834 1.00 31.31 H new ATOM 0 HG12 ILE A 32 7.900 42.879 -11.735 1.00 35.35 H new ATOM 0 HG13 ILE A 32 7.249 44.198 -10.783 1.00 35.35 H new ATOM 0 HG21 ILE A 32 6.336 43.434 -13.572 1.00 64.33 H new ATOM 0 HG22 ILE A 32 4.580 43.455 -13.281 1.00 64.33 H new ATOM 0 HG23 ILE A 32 5.608 44.748 -12.618 1.00 64.33 H new ATOM 0 HD11 ILE A 32 8.418 42.584 -9.362 1.00 4.53 H new ATOM 0 HD12 ILE A 32 6.684 42.624 -8.966 1.00 4.53 H new ATOM 0 HD13 ILE A 32 7.345 41.284 -9.933 1.00 4.53 H new ATOM 456 N GLN A 33 4.345 45.596 -10.871 1.00 43.42 N ATOM 457 CA GLN A 33 4.457 47.011 -10.537 1.00 52.43 C ATOM 458 C GLN A 33 3.747 47.318 -9.223 1.00 14.20 C ATOM 459 O GLN A 33 4.355 47.764 -8.250 1.00 31.02 O ATOM 460 CB GLN A 33 3.871 47.870 -11.660 1.00 31.33 C ATOM 461 CG GLN A 33 4.925 48.525 -12.538 1.00 13.23 C ATOM 462 CD GLN A 33 4.586 48.446 -14.013 1.00 45.13 C ATOM 463 OE1 GLN A 33 3.731 49.182 -14.506 1.00 41.03 O ATOM 464 NE2 GLN A 33 5.258 47.550 -14.728 1.00 11.54 N ATOM 0 H GLN A 33 3.852 45.406 -11.744 1.00 43.42 H new ATOM 0 HA GLN A 33 5.515 47.248 -10.422 1.00 52.43 H new ATOM 0 HB2 GLN A 33 3.226 47.249 -12.282 1.00 31.33 H new ATOM 0 HB3 GLN A 33 3.242 48.645 -11.223 1.00 31.33 H new ATOM 0 HG2 GLN A 33 5.034 49.570 -12.250 1.00 13.23 H new ATOM 0 HG3 GLN A 33 5.888 48.044 -12.364 1.00 13.23 H new ATOM 0 HE21 GLN A 33 5.958 46.960 -14.278 1.00 11.54 H new ATOM 0 HE22 GLN A 33 5.073 47.452 -15.726 1.00 11.54 H new ATOM 473 N PRO A 34 2.428 47.075 -9.192 1.00 11.14 N ATOM 474 CA PRO A 34 1.606 47.318 -8.002 1.00 42.22 C ATOM 475 C PRO A 34 1.913 46.338 -6.875 1.00 61.34 C ATOM 476 O PRO A 34 1.417 46.486 -5.759 1.00 25.02 O ATOM 477 CB PRO A 34 0.177 47.117 -8.511 1.00 52.25 C ATOM 478 CG PRO A 34 0.316 46.206 -9.682 1.00 22.34 C ATOM 479 CD PRO A 34 1.638 46.544 -10.315 1.00 34.33 C ATOM 0 HA PRO A 34 1.787 48.305 -7.577 1.00 42.22 H new ATOM 0 HB2 PRO A 34 -0.459 46.679 -7.742 1.00 52.25 H new ATOM 0 HB3 PRO A 34 -0.278 48.065 -8.799 1.00 52.25 H new ATOM 0 HG2 PRO A 34 0.288 45.162 -9.370 1.00 22.34 H new ATOM 0 HG3 PRO A 34 -0.502 46.349 -10.387 1.00 22.34 H new ATOM 0 HD2 PRO A 34 2.108 45.666 -10.757 1.00 34.33 H new ATOM 0 HD3 PRO A 34 1.526 47.280 -11.111 1.00 34.33 H new ATOM 487 N ALA A 35 2.734 45.336 -7.176 1.00 15.23 N ATOM 488 CA ALA A 35 3.108 44.333 -6.187 1.00 22.11 C ATOM 489 C ALA A 35 3.523 44.986 -4.873 1.00 32.55 C ATOM 490 O ALA A 35 4.598 45.575 -4.756 1.00 34.41 O ATOM 491 CB ALA A 35 4.233 43.459 -6.722 1.00 74.41 C ATOM 0 H ALA A 35 3.152 45.198 -8.096 1.00 15.23 H new ATOM 0 HA ALA A 35 2.237 43.707 -5.993 1.00 22.11 H new ATOM 0 HB1 ALA A 35 4.503 42.714 -5.973 1.00 74.41 H new ATOM 0 HB2 ALA A 35 3.903 42.957 -7.631 1.00 74.41 H new ATOM 0 HB3 ALA A 35 5.101 44.079 -6.945 1.00 74.41 H new ATOM 497 N PRO A 36 2.651 44.881 -3.858 1.00 65.52 N ATOM 498 CA PRO A 36 2.906 45.455 -2.534 1.00 33.24 C ATOM 499 C PRO A 36 4.014 44.721 -1.787 1.00 22.14 C ATOM 500 O PRO A 36 4.454 43.642 -2.184 1.00 24.13 O ATOM 501 CB PRO A 36 1.568 45.283 -1.810 1.00 21.44 C ATOM 502 CG PRO A 36 0.916 44.128 -2.488 1.00 61.41 C ATOM 503 CD PRO A 36 1.351 44.193 -3.926 1.00 63.50 C ATOM 0 HA PRO A 36 3.243 46.490 -2.596 1.00 33.24 H new ATOM 0 HB2 PRO A 36 1.715 45.087 -0.748 1.00 21.44 H new ATOM 0 HB3 PRO A 36 0.958 46.183 -1.887 1.00 21.44 H new ATOM 0 HG2 PRO A 36 1.218 43.186 -2.031 1.00 61.41 H new ATOM 0 HG3 PRO A 36 -0.169 44.189 -2.405 1.00 61.41 H new ATOM 0 HD2 PRO A 36 1.445 43.199 -4.363 1.00 63.50 H new ATOM 0 HD3 PRO A 36 0.636 44.744 -4.538 1.00 63.50 H new ATOM 511 N PRO A 37 4.477 45.317 -0.678 1.00 42.51 N ATOM 512 CA PRO A 37 5.540 44.737 0.148 1.00 33.13 C ATOM 513 C PRO A 37 5.078 43.490 0.894 1.00 31.33 C ATOM 514 O PRO A 37 5.894 42.680 1.331 1.00 23.45 O ATOM 515 CB PRO A 37 5.873 45.858 1.136 1.00 65.21 C ATOM 516 CG PRO A 37 4.630 46.674 1.218 1.00 74.55 C ATOM 517 CD PRO A 37 3.999 46.604 -0.146 1.00 12.43 C ATOM 0 HA PRO A 37 6.390 44.412 -0.451 1.00 33.13 H new ATOM 0 HB2 PRO A 37 6.148 45.457 2.111 1.00 65.21 H new ATOM 0 HB3 PRO A 37 6.716 46.455 0.788 1.00 65.21 H new ATOM 0 HG2 PRO A 37 3.956 46.283 1.980 1.00 74.55 H new ATOM 0 HG3 PRO A 37 4.857 47.705 1.491 1.00 74.55 H new ATOM 0 HD2 PRO A 37 2.911 46.635 -0.087 1.00 12.43 H new ATOM 0 HD3 PRO A 37 4.308 47.439 -0.775 1.00 12.43 H new ATOM 525 N GLU A 38 3.764 43.342 1.035 1.00 2.42 N ATOM 526 CA GLU A 38 3.195 42.193 1.729 1.00 1.11 C ATOM 527 C GLU A 38 3.020 41.014 0.776 1.00 12.30 C ATOM 528 O GLU A 38 2.878 39.871 1.207 1.00 33.34 O ATOM 529 CB GLU A 38 1.848 42.562 2.354 1.00 3.34 C ATOM 530 CG GLU A 38 1.935 42.893 3.835 1.00 52.12 C ATOM 531 CD GLU A 38 1.945 41.655 4.710 1.00 62.33 C ATOM 532 OE1 GLU A 38 0.985 40.860 4.624 1.00 42.42 O ATOM 533 OE2 GLU A 38 2.912 41.480 5.480 1.00 22.20 O ATOM 0 H GLU A 38 3.074 44.003 0.678 1.00 2.42 H new ATOM 0 HA GLU A 38 3.886 41.900 2.520 1.00 1.11 H new ATOM 0 HB2 GLU A 38 1.433 43.418 1.823 1.00 3.34 H new ATOM 0 HB3 GLU A 38 1.153 41.733 2.216 1.00 3.34 H new ATOM 0 HG2 GLU A 38 2.839 43.472 4.021 1.00 52.12 H new ATOM 0 HG3 GLU A 38 1.090 43.523 4.113 1.00 52.12 H new ATOM 540 N GLU A 39 3.031 41.303 -0.522 1.00 15.25 N ATOM 541 CA GLU A 39 2.871 40.267 -1.535 1.00 42.34 C ATOM 542 C GLU A 39 4.223 39.681 -1.932 1.00 4.52 C ATOM 543 O GLU A 39 4.294 38.632 -2.572 1.00 52.34 O ATOM 544 CB GLU A 39 2.167 40.835 -2.770 1.00 22.32 C ATOM 545 CG GLU A 39 0.651 40.765 -2.692 1.00 24.30 C ATOM 546 CD GLU A 39 0.143 39.351 -2.485 1.00 15.42 C ATOM 547 OE1 GLU A 39 0.575 38.449 -3.232 1.00 13.11 O ATOM 548 OE2 GLU A 39 -0.688 39.148 -1.575 1.00 12.14 O ATOM 0 H GLU A 39 3.149 42.245 -0.896 1.00 15.25 H new ATOM 0 HA GLU A 39 2.260 39.471 -1.110 1.00 42.34 H new ATOM 0 HB2 GLU A 39 2.468 41.874 -2.904 1.00 22.32 H new ATOM 0 HB3 GLU A 39 2.503 40.290 -3.652 1.00 22.32 H new ATOM 0 HG2 GLU A 39 0.303 41.396 -1.874 1.00 24.30 H new ATOM 0 HG3 GLU A 39 0.224 41.170 -3.610 1.00 24.30 H new ATOM 555 N TYR A 40 5.294 40.367 -1.547 1.00 0.01 N ATOM 556 CA TYR A 40 6.644 39.917 -1.864 1.00 42.31 C ATOM 557 C TYR A 40 7.069 38.777 -0.943 1.00 42.45 C ATOM 558 O TYR A 40 7.878 37.928 -1.319 1.00 53.54 O ATOM 559 CB TYR A 40 7.632 41.079 -1.745 1.00 63.05 C ATOM 560 CG TYR A 40 8.517 41.248 -2.960 1.00 72.01 C ATOM 561 CD1 TYR A 40 7.971 41.331 -4.235 1.00 72.11 C ATOM 562 CD2 TYR A 40 9.898 41.324 -2.833 1.00 22.20 C ATOM 563 CE1 TYR A 40 8.775 41.485 -5.348 1.00 31.41 C ATOM 564 CE2 TYR A 40 10.710 41.479 -3.940 1.00 11.01 C ATOM 565 CZ TYR A 40 10.144 41.559 -5.195 1.00 73.31 C ATOM 566 OH TYR A 40 10.949 41.712 -6.300 1.00 70.14 O ATOM 0 H TYR A 40 5.253 41.236 -1.015 1.00 0.01 H new ATOM 0 HA TYR A 40 6.646 39.550 -2.890 1.00 42.31 H new ATOM 0 HB2 TYR A 40 7.076 42.002 -1.579 1.00 63.05 H new ATOM 0 HB3 TYR A 40 8.260 40.923 -0.868 1.00 63.05 H new ATOM 0 HD1 TYR A 40 6.900 41.274 -4.358 1.00 72.11 H new ATOM 0 HD2 TYR A 40 10.345 41.261 -1.852 1.00 22.20 H new ATOM 0 HE1 TYR A 40 8.334 41.547 -6.332 1.00 31.41 H new ATOM 0 HE2 TYR A 40 11.782 41.537 -3.823 1.00 11.01 H new ATOM 0 HH TYR A 40 11.887 41.748 -6.019 1.00 70.14 H new ATOM 576 N VAL A 41 6.517 38.765 0.266 1.00 42.02 N ATOM 577 CA VAL A 41 6.836 37.729 1.241 1.00 4.42 C ATOM 578 C VAL A 41 6.452 36.348 0.722 1.00 13.54 C ATOM 579 O VAL A 41 7.280 35.444 0.619 1.00 22.34 O ATOM 580 CB VAL A 41 6.119 37.980 2.581 1.00 4.41 C ATOM 581 CG1 VAL A 41 5.814 36.664 3.278 1.00 21.54 C ATOM 582 CG2 VAL A 41 6.958 38.883 3.473 1.00 43.42 C ATOM 0 H VAL A 41 5.847 39.461 0.594 1.00 42.02 H new ATOM 0 HA VAL A 41 7.914 37.766 1.401 1.00 4.42 H new ATOM 0 HB VAL A 41 5.174 38.484 2.379 1.00 4.41 H new ATOM 0 HG11 VAL A 41 5.308 36.861 4.223 1.00 21.54 H new ATOM 0 HG12 VAL A 41 5.171 36.056 2.642 1.00 21.54 H new ATOM 0 HG13 VAL A 41 6.744 36.130 3.470 1.00 21.54 H new ATOM 0 HG21 VAL A 41 6.436 39.050 4.415 1.00 43.42 H new ATOM 0 HG22 VAL A 41 7.919 38.409 3.669 1.00 43.42 H new ATOM 0 HG23 VAL A 41 7.120 39.838 2.974 1.00 43.42 H new ATOM 592 N PRO A 42 5.164 36.180 0.387 1.00 40.25 N ATOM 593 CA PRO A 42 4.640 34.912 -0.129 1.00 34.02 C ATOM 594 C PRO A 42 5.148 34.602 -1.533 1.00 11.14 C ATOM 595 O PRO A 42 5.439 33.451 -1.857 1.00 53.34 O ATOM 596 CB PRO A 42 3.125 35.135 -0.145 1.00 43.05 C ATOM 597 CG PRO A 42 2.961 36.611 -0.259 1.00 1.32 C ATOM 598 CD PRO A 42 4.121 37.215 0.483 1.00 1.24 C ATOM 0 HA PRO A 42 4.954 34.064 0.479 1.00 34.02 H new ATOM 0 HB2 PRO A 42 2.658 34.619 -0.984 1.00 43.05 H new ATOM 0 HB3 PRO A 42 2.659 34.754 0.764 1.00 43.05 H new ATOM 0 HG2 PRO A 42 2.960 36.924 -1.303 1.00 1.32 H new ATOM 0 HG3 PRO A 42 2.013 36.933 0.171 1.00 1.32 H new ATOM 0 HD2 PRO A 42 4.443 38.153 0.030 1.00 1.24 H new ATOM 0 HD3 PRO A 42 3.865 37.433 1.520 1.00 1.24 H new ATOM 606 N MET A 43 5.253 35.636 -2.361 1.00 11.34 N ATOM 607 CA MET A 43 5.728 35.473 -3.730 1.00 2.43 C ATOM 608 C MET A 43 7.052 34.717 -3.759 1.00 63.40 C ATOM 609 O MET A 43 7.191 33.716 -4.462 1.00 63.24 O ATOM 610 CB MET A 43 5.893 36.838 -4.401 1.00 15.30 C ATOM 611 CG MET A 43 4.686 37.260 -5.224 1.00 11.14 C ATOM 612 SD MET A 43 5.031 38.674 -6.288 1.00 12.00 S ATOM 613 CE MET A 43 3.615 39.714 -5.939 1.00 1.14 C ATOM 0 H MET A 43 5.016 36.595 -2.108 1.00 11.34 H new ATOM 0 HA MET A 43 4.986 34.893 -4.279 1.00 2.43 H new ATOM 0 HB2 MET A 43 6.081 37.590 -3.635 1.00 15.30 H new ATOM 0 HB3 MET A 43 6.772 36.813 -5.046 1.00 15.30 H new ATOM 0 HG2 MET A 43 4.358 36.421 -5.837 1.00 11.14 H new ATOM 0 HG3 MET A 43 3.863 37.507 -4.554 1.00 11.14 H new ATOM 0 HE1 MET A 43 3.224 40.121 -6.871 1.00 1.14 H new ATOM 0 HE2 MET A 43 2.842 39.123 -5.448 1.00 1.14 H new ATOM 0 HE3 MET A 43 3.917 40.532 -5.285 1.00 1.14 H new ATOM 623 N VAL A 44 8.023 35.201 -2.991 1.00 41.20 N ATOM 624 CA VAL A 44 9.336 34.570 -2.929 1.00 32.13 C ATOM 625 C VAL A 44 9.218 33.089 -2.587 1.00 73.22 C ATOM 626 O VAL A 44 9.914 32.250 -3.160 1.00 3.42 O ATOM 627 CB VAL A 44 10.239 35.255 -1.887 1.00 4.35 C ATOM 628 CG1 VAL A 44 11.593 34.565 -1.816 1.00 71.25 C ATOM 629 CG2 VAL A 44 10.401 36.732 -2.212 1.00 4.53 C ATOM 0 H VAL A 44 7.925 36.029 -2.403 1.00 41.20 H new ATOM 0 HA VAL A 44 9.786 34.678 -3.916 1.00 32.13 H new ATOM 0 HB VAL A 44 9.764 35.171 -0.910 1.00 4.35 H new ATOM 0 HG11 VAL A 44 12.217 35.063 -1.074 1.00 71.25 H new ATOM 0 HG12 VAL A 44 11.455 33.522 -1.532 1.00 71.25 H new ATOM 0 HG13 VAL A 44 12.078 34.615 -2.791 1.00 71.25 H new ATOM 0 HG21 VAL A 44 11.042 37.201 -1.465 1.00 4.53 H new ATOM 0 HG22 VAL A 44 10.853 36.840 -3.198 1.00 4.53 H new ATOM 0 HG23 VAL A 44 9.424 37.215 -2.206 1.00 4.53 H new ATOM 639 N LYS A 45 8.330 32.772 -1.650 1.00 44.32 N ATOM 640 CA LYS A 45 8.118 31.392 -1.232 1.00 30.21 C ATOM 641 C LYS A 45 7.695 30.524 -2.413 1.00 50.42 C ATOM 642 O LYS A 45 7.985 29.329 -2.452 1.00 45.30 O ATOM 643 CB LYS A 45 7.055 31.328 -0.132 1.00 44.15 C ATOM 644 CG LYS A 45 7.621 31.017 1.243 1.00 73.05 C ATOM 645 CD LYS A 45 8.624 32.069 1.684 1.00 43.01 C ATOM 646 CE LYS A 45 8.400 32.481 3.131 1.00 61.12 C ATOM 647 NZ LYS A 45 9.118 33.742 3.466 1.00 23.43 N ATOM 0 H LYS A 45 7.745 33.453 -1.166 1.00 44.32 H new ATOM 0 HA LYS A 45 9.061 31.009 -0.841 1.00 30.21 H new ATOM 0 HB2 LYS A 45 6.528 32.281 -0.092 1.00 44.15 H new ATOM 0 HB3 LYS A 45 6.319 30.568 -0.393 1.00 44.15 H new ATOM 0 HG2 LYS A 45 6.809 30.961 1.968 1.00 73.05 H new ATOM 0 HG3 LYS A 45 8.102 30.039 1.227 1.00 73.05 H new ATOM 0 HD2 LYS A 45 9.636 31.680 1.568 1.00 43.01 H new ATOM 0 HD3 LYS A 45 8.543 32.944 1.039 1.00 43.01 H new ATOM 0 HE2 LYS A 45 7.333 32.612 3.310 1.00 61.12 H new ATOM 0 HE3 LYS A 45 8.739 31.683 3.792 1.00 61.12 H new ATOM 0 HZ1 LYS A 45 9.719 33.588 4.301 1.00 23.43 H new ATOM 0 HZ2 LYS A 45 9.711 34.028 2.661 1.00 23.43 H new ATOM 0 HZ3 LYS A 45 8.426 34.491 3.671 1.00 23.43 H new ATOM 661 N GLU A 46 7.009 31.135 -3.374 1.00 70.04 N ATOM 662 CA GLU A 46 6.547 30.417 -4.557 1.00 24.14 C ATOM 663 C GLU A 46 7.724 29.998 -5.433 1.00 45.50 C ATOM 664 O GLU A 46 7.888 28.821 -5.752 1.00 74.31 O ATOM 665 CB GLU A 46 5.580 31.286 -5.363 1.00 44.13 C ATOM 666 CG GLU A 46 4.308 30.563 -5.773 1.00 25.35 C ATOM 667 CD GLU A 46 4.529 29.603 -6.925 1.00 74.54 C ATOM 668 OE1 GLU A 46 4.790 30.076 -8.051 1.00 23.22 O ATOM 669 OE2 GLU A 46 4.439 28.377 -6.701 1.00 42.13 O ATOM 0 H GLU A 46 6.761 32.124 -3.357 1.00 70.04 H new ATOM 0 HA GLU A 46 6.026 29.519 -4.225 1.00 24.14 H new ATOM 0 HB2 GLU A 46 5.315 32.163 -4.773 1.00 44.13 H new ATOM 0 HB3 GLU A 46 6.088 31.646 -6.258 1.00 44.13 H new ATOM 0 HG2 GLU A 46 3.915 30.014 -4.918 1.00 25.35 H new ATOM 0 HG3 GLU A 46 3.553 31.296 -6.056 1.00 25.35 H new ATOM 676 N VAL A 47 8.542 30.972 -5.820 1.00 5.43 N ATOM 677 CA VAL A 47 9.705 30.706 -6.659 1.00 11.54 C ATOM 678 C VAL A 47 10.734 29.859 -5.919 1.00 3.40 C ATOM 679 O VAL A 47 11.266 28.893 -6.464 1.00 53.01 O ATOM 680 CB VAL A 47 10.372 32.014 -7.125 1.00 12.34 C ATOM 681 CG1 VAL A 47 11.440 31.727 -8.169 1.00 33.21 C ATOM 682 CG2 VAL A 47 9.329 32.979 -7.668 1.00 50.31 C ATOM 0 H VAL A 47 8.421 31.952 -5.566 1.00 5.43 H new ATOM 0 HA VAL A 47 9.348 30.159 -7.531 1.00 11.54 H new ATOM 0 HB VAL A 47 10.854 32.481 -6.267 1.00 12.34 H new ATOM 0 HG11 VAL A 47 11.900 32.663 -8.486 1.00 33.21 H new ATOM 0 HG12 VAL A 47 12.202 31.075 -7.741 1.00 33.21 H new ATOM 0 HG13 VAL A 47 10.985 31.237 -9.030 1.00 33.21 H new ATOM 0 HG21 VAL A 47 9.817 33.898 -7.993 1.00 50.31 H new ATOM 0 HG22 VAL A 47 8.816 32.522 -8.514 1.00 50.31 H new ATOM 0 HG23 VAL A 47 8.605 33.210 -6.887 1.00 50.31 H new ATOM 692 N GLY A 48 11.011 30.229 -4.672 1.00 42.10 N ATOM 693 CA GLY A 48 11.976 29.493 -3.877 1.00 21.51 C ATOM 694 C GLY A 48 11.647 28.016 -3.787 1.00 74.30 C ATOM 695 O GLY A 48 12.544 27.174 -3.723 1.00 1.42 O ATOM 0 H GLY A 48 10.584 31.025 -4.199 1.00 42.10 H new ATOM 0 HA2 GLY A 48 12.968 29.615 -4.311 1.00 21.51 H new ATOM 0 HA3 GLY A 48 12.013 29.916 -2.873 1.00 21.51 H new ATOM 699 N LEU A 49 10.357 27.698 -3.781 1.00 13.43 N ATOM 700 CA LEU A 49 9.910 26.312 -3.696 1.00 42.11 C ATOM 701 C LEU A 49 10.155 25.580 -5.012 1.00 11.03 C ATOM 702 O LEU A 49 10.516 24.404 -5.021 1.00 22.31 O ATOM 703 CB LEU A 49 8.425 26.255 -3.336 1.00 55.24 C ATOM 704 CG LEU A 49 8.097 25.858 -1.897 1.00 23.24 C ATOM 705 CD1 LEU A 49 6.954 26.703 -1.356 1.00 44.01 C ATOM 706 CD2 LEU A 49 7.752 24.378 -1.817 1.00 64.21 C ATOM 0 H LEU A 49 9.602 28.382 -3.834 1.00 13.43 H new ATOM 0 HA LEU A 49 10.486 25.818 -2.913 1.00 42.11 H new ATOM 0 HB2 LEU A 49 7.987 27.234 -3.530 1.00 55.24 H new ATOM 0 HB3 LEU A 49 7.936 25.548 -4.007 1.00 55.24 H new ATOM 0 HG LEU A 49 8.978 26.039 -1.282 1.00 23.24 H new ATOM 0 HD11 LEU A 49 6.735 26.405 -0.330 1.00 44.01 H new ATOM 0 HD12 LEU A 49 7.238 27.755 -1.376 1.00 44.01 H new ATOM 0 HD13 LEU A 49 6.068 26.555 -1.974 1.00 44.01 H new ATOM 0 HD21 LEU A 49 7.521 24.113 -0.785 1.00 64.21 H new ATOM 0 HD22 LEU A 49 6.887 24.172 -2.447 1.00 64.21 H new ATOM 0 HD23 LEU A 49 8.601 23.787 -2.162 1.00 64.21 H new ATOM 718 N ALA A 50 9.958 26.285 -6.121 1.00 15.01 N ATOM 719 CA ALA A 50 10.161 25.704 -7.442 1.00 31.31 C ATOM 720 C ALA A 50 11.604 25.247 -7.624 1.00 63.14 C ATOM 721 O ALA A 50 11.861 24.104 -8.004 1.00 23.51 O ATOM 722 CB ALA A 50 9.781 26.705 -8.523 1.00 63.42 C ATOM 0 H ALA A 50 9.658 27.260 -6.131 1.00 15.01 H new ATOM 0 HA ALA A 50 9.517 24.829 -7.531 1.00 31.31 H new ATOM 0 HB1 ALA A 50 9.938 26.258 -9.505 1.00 63.42 H new ATOM 0 HB2 ALA A 50 8.732 26.979 -8.412 1.00 63.42 H new ATOM 0 HB3 ALA A 50 10.401 27.596 -8.428 1.00 63.42 H new ATOM 728 N LEU A 51 12.543 26.146 -7.353 1.00 3.41 N ATOM 729 CA LEU A 51 13.962 25.836 -7.488 1.00 23.22 C ATOM 730 C LEU A 51 14.379 24.753 -6.497 1.00 43.34 C ATOM 731 O LEU A 51 14.961 23.738 -6.881 1.00 14.02 O ATOM 732 CB LEU A 51 14.803 27.095 -7.269 1.00 22.33 C ATOM 733 CG LEU A 51 14.313 28.360 -7.973 1.00 12.30 C ATOM 734 CD1 LEU A 51 14.051 29.466 -6.962 1.00 52.13 C ATOM 735 CD2 LEU A 51 15.324 28.816 -9.015 1.00 54.42 C ATOM 0 H LEU A 51 12.347 27.096 -7.038 1.00 3.41 H new ATOM 0 HA LEU A 51 14.133 25.464 -8.498 1.00 23.22 H new ATOM 0 HB2 LEU A 51 14.850 27.294 -6.198 1.00 22.33 H new ATOM 0 HB3 LEU A 51 15.821 26.890 -7.600 1.00 22.33 H new ATOM 0 HG LEU A 51 13.376 28.131 -8.481 1.00 12.30 H new ATOM 0 HD11 LEU A 51 13.703 30.359 -7.481 1.00 52.13 H new ATOM 0 HD12 LEU A 51 13.290 29.139 -6.253 1.00 52.13 H new ATOM 0 HD13 LEU A 51 14.972 29.694 -6.426 1.00 52.13 H new ATOM 0 HD21 LEU A 51 14.959 29.718 -9.506 1.00 54.42 H new ATOM 0 HD22 LEU A 51 16.277 29.028 -8.529 1.00 54.42 H new ATOM 0 HD23 LEU A 51 15.462 28.029 -9.757 1.00 54.42 H new ATOM 747 N ARG A 52 14.077 24.976 -5.223 1.00 14.33 N ATOM 748 CA ARG A 52 14.419 24.019 -4.177 1.00 41.44 C ATOM 749 C ARG A 52 13.851 22.639 -4.496 1.00 44.54 C ATOM 750 O ARG A 52 14.580 21.647 -4.524 1.00 30.13 O ATOM 751 CB ARG A 52 13.891 24.499 -2.824 1.00 43.52 C ATOM 752 CG ARG A 52 14.271 23.592 -1.666 1.00 31.33 C ATOM 753 CD ARG A 52 13.086 23.335 -0.748 1.00 0.34 C ATOM 754 NE ARG A 52 13.457 22.529 0.412 1.00 33.31 N ATOM 755 CZ ARG A 52 12.579 22.061 1.293 1.00 61.13 C ATOM 756 NH1 ARG A 52 11.287 22.318 1.146 1.00 34.31 N ATOM 757 NH2 ARG A 52 12.994 21.334 2.322 1.00 33.14 N ATOM 0 H ARG A 52 13.596 25.811 -4.889 1.00 14.33 H new ATOM 0 HA ARG A 52 15.505 23.944 -4.129 1.00 41.44 H new ATOM 0 HB2 ARG A 52 14.272 25.501 -2.630 1.00 43.52 H new ATOM 0 HB3 ARG A 52 12.805 24.575 -2.874 1.00 43.52 H new ATOM 0 HG2 ARG A 52 14.646 22.644 -2.052 1.00 31.33 H new ATOM 0 HG3 ARG A 52 15.082 24.047 -1.097 1.00 31.33 H new ATOM 0 HD2 ARG A 52 12.675 24.287 -0.412 1.00 0.34 H new ATOM 0 HD3 ARG A 52 12.299 22.827 -1.306 1.00 0.34 H new ATOM 0 HE ARG A 52 14.444 22.314 0.554 1.00 33.31 H new ATOM 0 HH11 ARG A 52 10.965 22.876 0.355 1.00 34.31 H new ATOM 0 HH12 ARG A 52 10.615 21.958 1.824 1.00 34.31 H new ATOM 0 HH21 ARG A 52 13.988 21.134 2.437 1.00 33.14 H new ATOM 0 HH22 ARG A 52 12.320 20.975 2.998 1.00 33.14 H new ATOM 771 N THR A 53 12.545 22.584 -4.737 1.00 20.42 N ATOM 772 CA THR A 53 11.879 21.326 -5.052 1.00 11.20 C ATOM 773 C THR A 53 12.421 20.726 -6.344 1.00 21.42 C ATOM 774 O THR A 53 12.569 19.508 -6.460 1.00 41.35 O ATOM 775 CB THR A 53 10.356 21.515 -5.187 1.00 2.54 C ATOM 776 OG1 THR A 53 9.830 22.115 -3.998 1.00 1.44 O ATOM 777 CG2 THR A 53 9.665 20.183 -5.437 1.00 44.50 C ATOM 0 H THR A 53 11.928 23.396 -4.720 1.00 20.42 H new ATOM 0 HA THR A 53 12.082 20.645 -4.225 1.00 11.20 H new ATOM 0 HB THR A 53 10.167 22.169 -6.038 1.00 2.54 H new ATOM 0 HG1 THR A 53 10.131 23.046 -3.941 1.00 1.44 H new ATOM 0 HG21 THR A 53 8.591 20.342 -5.529 1.00 44.50 H new ATOM 0 HG22 THR A 53 10.047 19.742 -6.358 1.00 44.50 H new ATOM 0 HG23 THR A 53 9.862 19.509 -4.603 1.00 44.50 H new ATOM 785 N LEU A 54 12.717 21.586 -7.312 1.00 74.42 N ATOM 786 CA LEU A 54 13.244 21.139 -8.597 1.00 50.51 C ATOM 787 C LEU A 54 14.440 20.213 -8.403 1.00 1.22 C ATOM 788 O LEU A 54 14.578 19.206 -9.098 1.00 63.20 O ATOM 789 CB LEU A 54 13.650 22.343 -9.450 1.00 33.03 C ATOM 790 CG LEU A 54 12.644 22.780 -10.516 1.00 22.23 C ATOM 791 CD1 LEU A 54 13.123 24.042 -11.216 1.00 64.33 C ATOM 792 CD2 LEU A 54 12.416 21.662 -11.523 1.00 54.30 C ATOM 0 H LEU A 54 12.601 22.596 -7.232 1.00 74.42 H new ATOM 0 HA LEU A 54 12.459 20.585 -9.111 1.00 50.51 H new ATOM 0 HB2 LEU A 54 13.835 23.187 -8.786 1.00 33.03 H new ATOM 0 HB3 LEU A 54 14.594 22.112 -9.943 1.00 33.03 H new ATOM 0 HG LEU A 54 11.695 22.999 -10.026 1.00 22.23 H new ATOM 0 HD11 LEU A 54 12.395 24.338 -11.971 1.00 64.33 H new ATOM 0 HD12 LEU A 54 13.234 24.843 -10.485 1.00 64.33 H new ATOM 0 HD13 LEU A 54 14.084 23.851 -11.694 1.00 64.33 H new ATOM 0 HD21 LEU A 54 11.698 21.990 -12.274 1.00 54.30 H new ATOM 0 HD22 LEU A 54 13.359 21.411 -12.008 1.00 54.30 H new ATOM 0 HD23 LEU A 54 12.028 20.783 -11.009 1.00 54.30 H new ATOM 804 N LEU A 55 15.301 20.559 -7.452 1.00 43.13 N ATOM 805 CA LEU A 55 16.486 19.757 -7.164 1.00 55.41 C ATOM 806 C LEU A 55 16.112 18.296 -6.940 1.00 20.42 C ATOM 807 O LEU A 55 16.701 17.395 -7.537 1.00 4.40 O ATOM 808 CB LEU A 55 17.209 20.305 -5.933 1.00 3.40 C ATOM 809 CG LEU A 55 18.733 20.180 -5.939 1.00 63.12 C ATOM 810 CD1 LEU A 55 19.359 21.225 -5.029 1.00 14.24 C ATOM 811 CD2 LEU A 55 19.155 18.780 -5.516 1.00 11.41 C ATOM 0 H LEU A 55 15.201 21.389 -6.867 1.00 43.13 H new ATOM 0 HA LEU A 55 17.152 19.814 -8.025 1.00 55.41 H new ATOM 0 HB2 LEU A 55 16.951 21.358 -5.824 1.00 3.40 H new ATOM 0 HB3 LEU A 55 16.826 19.790 -5.052 1.00 3.40 H new ATOM 0 HG LEU A 55 19.088 20.354 -6.955 1.00 63.12 H new ATOM 0 HD11 LEU A 55 20.444 21.120 -5.047 1.00 14.24 H new ATOM 0 HD12 LEU A 55 19.085 22.221 -5.377 1.00 14.24 H new ATOM 0 HD13 LEU A 55 18.997 21.084 -4.010 1.00 14.24 H new ATOM 0 HD21 LEU A 55 20.243 18.709 -5.526 1.00 11.41 H new ATOM 0 HD22 LEU A 55 18.787 18.578 -4.510 1.00 11.41 H new ATOM 0 HD23 LEU A 55 18.737 18.049 -6.209 1.00 11.41 H new ATOM 823 N ALA A 56 15.128 18.068 -6.076 1.00 73.55 N ATOM 824 CA ALA A 56 14.672 16.716 -5.777 1.00 25.33 C ATOM 825 C ALA A 56 13.858 16.142 -6.931 1.00 71.01 C ATOM 826 O ALA A 56 14.049 14.992 -7.329 1.00 14.12 O ATOM 827 CB ALA A 56 13.853 16.707 -4.495 1.00 23.24 C ATOM 0 H ALA A 56 14.631 18.802 -5.571 1.00 73.55 H new ATOM 0 HA ALA A 56 15.550 16.086 -5.639 1.00 25.33 H new ATOM 0 HB1 ALA A 56 13.519 15.691 -4.284 1.00 23.24 H new ATOM 0 HB2 ALA A 56 14.466 17.066 -3.669 1.00 23.24 H new ATOM 0 HB3 ALA A 56 12.986 17.357 -4.613 1.00 23.24 H new ATOM 833 N THR A 57 12.948 16.950 -7.466 1.00 72.03 N ATOM 834 CA THR A 57 12.103 16.522 -8.574 1.00 13.11 C ATOM 835 C THR A 57 12.939 15.969 -9.722 1.00 23.32 C ATOM 836 O THR A 57 12.776 14.816 -10.123 1.00 51.41 O ATOM 837 CB THR A 57 11.235 17.681 -9.099 1.00 13.34 C ATOM 838 OG1 THR A 57 10.756 18.469 -8.003 1.00 54.32 O ATOM 839 CG2 THR A 57 10.057 17.154 -9.904 1.00 32.21 C ATOM 0 H THR A 57 12.777 17.905 -7.150 1.00 72.03 H new ATOM 0 HA THR A 57 11.453 15.736 -8.190 1.00 13.11 H new ATOM 0 HB THR A 57 11.851 18.301 -9.750 1.00 13.34 H new ATOM 0 HG1 THR A 57 11.445 19.113 -7.738 1.00 54.32 H new ATOM 0 HG21 THR A 57 9.459 17.991 -10.264 1.00 32.21 H new ATOM 0 HG22 THR A 57 10.425 16.579 -10.754 1.00 32.21 H new ATOM 0 HG23 THR A 57 9.442 16.514 -9.272 1.00 32.21 H new ATOM 847 N VAL A 58 13.837 16.797 -10.247 1.00 33.11 N ATOM 848 CA VAL A 58 14.701 16.389 -11.348 1.00 52.32 C ATOM 849 C VAL A 58 15.575 15.205 -10.952 1.00 32.23 C ATOM 850 O VAL A 58 15.903 14.357 -11.782 1.00 2.10 O ATOM 851 CB VAL A 58 15.604 17.548 -11.811 1.00 24.30 C ATOM 852 CG1 VAL A 58 16.599 17.917 -10.721 1.00 64.04 C ATOM 853 CG2 VAL A 58 16.324 17.179 -13.099 1.00 44.24 C ATOM 0 H VAL A 58 13.985 17.754 -9.927 1.00 33.11 H new ATOM 0 HA VAL A 58 14.049 16.095 -12.170 1.00 52.32 H new ATOM 0 HB VAL A 58 14.978 18.418 -12.008 1.00 24.30 H new ATOM 0 HG11 VAL A 58 17.229 18.737 -11.066 1.00 64.04 H new ATOM 0 HG12 VAL A 58 16.060 18.225 -9.825 1.00 64.04 H new ATOM 0 HG13 VAL A 58 17.223 17.053 -10.490 1.00 64.04 H new ATOM 0 HG21 VAL A 58 16.958 18.009 -13.412 1.00 44.24 H new ATOM 0 HG22 VAL A 58 16.940 16.295 -12.931 1.00 44.24 H new ATOM 0 HG23 VAL A 58 15.591 16.968 -13.878 1.00 44.24 H new ATOM 863 N ASP A 59 15.948 15.152 -9.678 1.00 13.21 N ATOM 864 CA ASP A 59 16.783 14.070 -9.170 1.00 11.13 C ATOM 865 C ASP A 59 16.135 12.714 -9.432 1.00 14.30 C ATOM 866 O ASP A 59 16.823 11.722 -9.664 1.00 64.53 O ATOM 867 CB ASP A 59 17.031 14.249 -7.671 1.00 50.32 C ATOM 868 CG ASP A 59 18.484 14.544 -7.356 1.00 43.32 C ATOM 869 OD1 ASP A 59 19.361 13.808 -7.856 1.00 3.35 O ATOM 870 OD2 ASP A 59 18.745 15.512 -6.611 1.00 72.30 O ATOM 0 H ASP A 59 15.685 15.846 -8.978 1.00 13.21 H new ATOM 0 HA ASP A 59 17.737 14.104 -9.695 1.00 11.13 H new ATOM 0 HB2 ASP A 59 16.409 15.062 -7.297 1.00 50.32 H new ATOM 0 HB3 ASP A 59 16.724 13.345 -7.144 1.00 50.32 H new ATOM 875 N GLU A 60 14.806 12.681 -9.392 1.00 3.42 N ATOM 876 CA GLU A 60 14.066 11.447 -9.623 1.00 61.43 C ATOM 877 C GLU A 60 13.767 11.262 -11.108 1.00 54.02 C ATOM 878 O GLU A 60 13.454 10.159 -11.557 1.00 11.20 O ATOM 879 CB GLU A 60 12.761 11.451 -8.825 1.00 54.13 C ATOM 880 CG GLU A 60 12.950 11.759 -7.350 1.00 24.25 C ATOM 881 CD GLU A 60 12.169 10.819 -6.452 1.00 62.43 C ATOM 882 OE1 GLU A 60 12.712 9.751 -6.097 1.00 12.21 O ATOM 883 OE2 GLU A 60 11.016 11.149 -6.106 1.00 1.31 O ATOM 0 H GLU A 60 14.221 13.495 -9.202 1.00 3.42 H new ATOM 0 HA GLU A 60 14.685 10.615 -9.288 1.00 61.43 H new ATOM 0 HB2 GLU A 60 12.083 12.187 -9.257 1.00 54.13 H new ATOM 0 HB3 GLU A 60 12.281 10.478 -8.926 1.00 54.13 H new ATOM 0 HG2 GLU A 60 14.010 11.695 -7.102 1.00 24.25 H new ATOM 0 HG3 GLU A 60 12.638 12.785 -7.154 1.00 24.25 H new ATOM 890 N SER A 61 13.864 12.350 -11.865 1.00 43.23 N ATOM 891 CA SER A 61 13.600 12.310 -13.299 1.00 12.32 C ATOM 892 C SER A 61 14.738 11.617 -14.042 1.00 52.41 C ATOM 893 O SER A 61 14.547 11.084 -15.136 1.00 11.21 O ATOM 894 CB SER A 61 13.408 13.727 -13.843 1.00 42.20 C ATOM 895 OG SER A 61 12.063 14.149 -13.704 1.00 13.53 O ATOM 0 H SER A 61 14.123 13.270 -11.510 1.00 43.23 H new ATOM 0 HA SER A 61 12.685 11.740 -13.459 1.00 12.32 H new ATOM 0 HB2 SER A 61 14.065 14.416 -13.312 1.00 42.20 H new ATOM 0 HB3 SER A 61 13.695 13.758 -14.894 1.00 42.20 H new ATOM 0 HG SER A 61 11.672 14.292 -14.591 1.00 13.53 H new ATOM 901 N LEU A 62 15.922 11.629 -13.441 1.00 2.13 N ATOM 902 CA LEU A 62 17.093 11.002 -14.044 1.00 40.12 C ATOM 903 C LEU A 62 16.787 9.568 -14.465 1.00 12.15 C ATOM 904 O LEU A 62 16.872 9.208 -15.639 1.00 32.23 O ATOM 905 CB LEU A 62 18.267 11.019 -13.064 1.00 21.42 C ATOM 906 CG LEU A 62 19.475 11.861 -13.477 1.00 33.20 C ATOM 907 CD1 LEU A 62 20.284 12.269 -12.256 1.00 30.43 C ATOM 908 CD2 LEU A 62 20.345 11.097 -14.465 1.00 14.41 C ATOM 0 H LEU A 62 16.097 12.066 -12.536 1.00 2.13 H new ATOM 0 HA LEU A 62 17.362 11.572 -14.933 1.00 40.12 H new ATOM 0 HB2 LEU A 62 17.906 11.385 -12.103 1.00 21.42 H new ATOM 0 HB3 LEU A 62 18.600 9.993 -12.910 1.00 21.42 H new ATOM 0 HG LEU A 62 19.113 12.765 -13.966 1.00 33.20 H new ATOM 0 HD11 LEU A 62 21.139 12.867 -12.570 1.00 30.43 H new ATOM 0 HD12 LEU A 62 19.658 12.856 -11.584 1.00 30.43 H new ATOM 0 HD13 LEU A 62 20.636 11.377 -11.738 1.00 30.43 H new ATOM 0 HD21 LEU A 62 21.200 11.711 -14.748 1.00 14.41 H new ATOM 0 HD22 LEU A 62 20.698 10.175 -14.002 1.00 14.41 H new ATOM 0 HD23 LEU A 62 19.761 10.856 -15.353 1.00 14.41 H new ATOM 920 N PRO A 63 16.420 8.729 -13.484 1.00 53.42 N ATOM 921 CA PRO A 63 16.091 7.322 -13.729 1.00 15.05 C ATOM 922 C PRO A 63 14.782 7.157 -14.493 1.00 54.23 C ATOM 923 O PRO A 63 14.688 6.349 -15.417 1.00 44.25 O ATOM 924 CB PRO A 63 15.964 6.738 -12.319 1.00 72.45 C ATOM 925 CG PRO A 63 15.606 7.899 -11.458 1.00 41.53 C ATOM 926 CD PRO A 63 16.297 9.091 -12.062 1.00 23.30 C ATOM 0 HA PRO A 63 16.843 6.828 -14.344 1.00 15.05 H new ATOM 0 HB2 PRO A 63 15.197 5.964 -12.279 1.00 72.45 H new ATOM 0 HB3 PRO A 63 16.898 6.278 -11.995 1.00 72.45 H new ATOM 0 HG2 PRO A 63 14.526 8.046 -11.431 1.00 41.53 H new ATOM 0 HG3 PRO A 63 15.932 7.738 -10.430 1.00 41.53 H new ATOM 0 HD2 PRO A 63 15.715 10.003 -11.928 1.00 23.30 H new ATOM 0 HD3 PRO A 63 17.272 9.265 -11.606 1.00 23.30 H new ATOM 934 N VAL A 64 13.772 7.928 -14.102 1.00 51.45 N ATOM 935 CA VAL A 64 12.468 7.869 -14.753 1.00 23.24 C ATOM 936 C VAL A 64 12.603 7.994 -16.266 1.00 14.40 C ATOM 937 O VAL A 64 11.877 7.346 -17.021 1.00 31.43 O ATOM 938 CB VAL A 64 11.533 8.979 -14.237 1.00 71.24 C ATOM 939 CG1 VAL A 64 10.241 9.004 -15.040 1.00 31.32 C ATOM 940 CG2 VAL A 64 11.246 8.788 -12.756 1.00 4.34 C ATOM 0 H VAL A 64 13.832 8.601 -13.338 1.00 51.45 H new ATOM 0 HA VAL A 64 12.036 6.898 -14.510 1.00 23.24 H new ATOM 0 HB VAL A 64 12.032 9.940 -14.366 1.00 71.24 H new ATOM 0 HG11 VAL A 64 9.593 9.794 -14.662 1.00 31.32 H new ATOM 0 HG12 VAL A 64 10.468 9.192 -16.089 1.00 31.32 H new ATOM 0 HG13 VAL A 64 9.735 8.043 -14.945 1.00 31.32 H new ATOM 0 HG21 VAL A 64 10.584 9.581 -12.408 1.00 4.34 H new ATOM 0 HG22 VAL A 64 10.767 7.821 -12.600 1.00 4.34 H new ATOM 0 HG23 VAL A 64 12.181 8.825 -12.197 1.00 4.34 H new ATOM 950 N LEU A 65 13.536 8.832 -16.704 1.00 14.41 N ATOM 951 CA LEU A 65 13.767 9.043 -18.129 1.00 14.42 C ATOM 952 C LEU A 65 15.029 8.321 -18.589 1.00 33.23 C ATOM 953 O LEU A 65 15.908 7.988 -17.793 1.00 74.25 O ATOM 954 CB LEU A 65 13.882 10.539 -18.431 1.00 24.51 C ATOM 955 CG LEU A 65 12.564 11.291 -18.611 1.00 75.14 C ATOM 956 CD1 LEU A 65 11.816 10.772 -19.830 1.00 14.42 C ATOM 957 CD2 LEU A 65 11.703 11.166 -17.362 1.00 42.44 C ATOM 0 H LEU A 65 14.145 9.376 -16.093 1.00 14.41 H new ATOM 0 HA LEU A 65 12.917 8.633 -18.674 1.00 14.42 H new ATOM 0 HB2 LEU A 65 14.439 11.011 -17.621 1.00 24.51 H new ATOM 0 HB3 LEU A 65 14.474 10.662 -19.338 1.00 24.51 H new ATOM 0 HG LEU A 65 12.788 12.346 -18.769 1.00 75.14 H new ATOM 0 HD11 LEU A 65 10.880 11.319 -19.943 1.00 14.42 H new ATOM 0 HD12 LEU A 65 12.429 10.914 -20.720 1.00 14.42 H new ATOM 0 HD13 LEU A 65 11.603 9.711 -19.702 1.00 14.42 H new ATOM 0 HD21 LEU A 65 10.769 11.708 -17.509 1.00 42.44 H new ATOM 0 HD22 LEU A 65 11.487 10.115 -17.173 1.00 42.44 H new ATOM 0 HD23 LEU A 65 12.236 11.586 -16.509 1.00 42.44 H new ATOM 969 N PRO A 66 15.124 8.074 -19.904 1.00 35.34 N ATOM 970 CA PRO A 66 16.276 7.391 -20.500 1.00 34.23 C ATOM 971 C PRO A 66 17.536 8.248 -20.470 1.00 65.22 C ATOM 972 O PRO A 66 17.505 9.427 -20.822 1.00 64.43 O ATOM 973 CB PRO A 66 15.832 7.141 -21.943 1.00 42.44 C ATOM 974 CG PRO A 66 14.818 8.198 -22.216 1.00 34.31 C ATOM 975 CD PRO A 66 14.114 8.442 -20.910 1.00 14.51 C ATOM 0 HA PRO A 66 16.538 6.483 -19.957 1.00 34.23 H new ATOM 0 HB2 PRO A 66 16.672 7.211 -22.634 1.00 42.44 H new ATOM 0 HB3 PRO A 66 15.406 6.144 -22.059 1.00 42.44 H new ATOM 0 HG2 PRO A 66 15.292 9.109 -22.580 1.00 34.31 H new ATOM 0 HG3 PRO A 66 14.115 7.876 -22.984 1.00 34.31 H new ATOM 0 HD2 PRO A 66 13.806 9.483 -20.808 1.00 14.51 H new ATOM 0 HD3 PRO A 66 13.215 7.833 -20.818 1.00 14.51 H new ATOM 983 N ALA A 67 18.645 7.648 -20.048 1.00 73.45 N ATOM 984 CA ALA A 67 19.917 8.356 -19.976 1.00 34.32 C ATOM 985 C ALA A 67 20.261 9.004 -21.312 1.00 64.45 C ATOM 986 O ALA A 67 20.290 8.337 -22.347 1.00 54.41 O ATOM 987 CB ALA A 67 21.025 7.407 -19.546 1.00 23.44 C ATOM 0 H ALA A 67 18.688 6.673 -19.751 1.00 73.45 H new ATOM 0 HA ALA A 67 19.823 9.147 -19.232 1.00 34.32 H new ATOM 0 HB1 ALA A 67 21.969 7.949 -19.496 1.00 23.44 H new ATOM 0 HB2 ALA A 67 20.791 6.995 -18.564 1.00 23.44 H new ATOM 0 HB3 ALA A 67 21.110 6.596 -20.269 1.00 23.44 H new ATOM 993 N SER A 68 20.522 10.307 -21.283 1.00 64.34 N ATOM 994 CA SER A 68 20.861 11.046 -22.494 1.00 70.41 C ATOM 995 C SER A 68 21.072 12.525 -22.186 1.00 72.05 C ATOM 996 O SER A 68 21.897 13.191 -22.813 1.00 23.33 O ATOM 997 CB SER A 68 19.758 10.883 -23.541 1.00 53.05 C ATOM 998 OG SER A 68 19.797 11.934 -24.491 1.00 12.42 O ATOM 0 H SER A 68 20.505 10.873 -20.434 1.00 64.34 H new ATOM 0 HA SER A 68 21.791 10.639 -22.891 1.00 70.41 H new ATOM 0 HB2 SER A 68 19.873 9.925 -24.049 1.00 53.05 H new ATOM 0 HB3 SER A 68 18.785 10.869 -23.050 1.00 53.05 H new ATOM 0 HG SER A 68 19.083 11.806 -25.150 1.00 12.42 H new ATOM 1004 N THR A 69 20.319 13.035 -21.217 1.00 33.45 N ATOM 1005 CA THR A 69 20.421 14.435 -20.825 1.00 72.33 C ATOM 1006 C THR A 69 21.009 14.573 -19.426 1.00 15.04 C ATOM 1007 O THR A 69 20.739 15.547 -18.721 1.00 72.34 O ATOM 1008 CB THR A 69 19.047 15.130 -20.864 1.00 1.41 C ATOM 1009 OG1 THR A 69 19.194 16.522 -20.559 1.00 72.21 O ATOM 1010 CG2 THR A 69 18.087 14.488 -19.874 1.00 70.23 C ATOM 0 H THR A 69 19.631 12.499 -20.689 1.00 33.45 H new ATOM 0 HA THR A 69 21.084 14.917 -21.543 1.00 72.33 H new ATOM 0 HB THR A 69 18.637 15.019 -21.868 1.00 1.41 H new ATOM 0 HG1 THR A 69 19.608 16.622 -19.676 1.00 72.21 H new ATOM 0 HG21 THR A 69 17.124 14.996 -19.920 1.00 70.23 H new ATOM 0 HG22 THR A 69 17.955 13.436 -20.126 1.00 70.23 H new ATOM 0 HG23 THR A 69 18.494 14.572 -18.866 1.00 70.23 H new ATOM 1018 N HIS A 70 21.814 13.593 -19.027 1.00 51.34 N ATOM 1019 CA HIS A 70 22.441 13.607 -17.711 1.00 24.03 C ATOM 1020 C HIS A 70 23.261 14.879 -17.513 1.00 21.53 C ATOM 1021 O HIS A 70 23.146 15.549 -16.487 1.00 23.14 O ATOM 1022 CB HIS A 70 23.334 12.378 -17.535 1.00 42.22 C ATOM 1023 CG HIS A 70 24.291 12.167 -18.668 1.00 24.44 C ATOM 1024 ND1 HIS A 70 25.577 12.666 -18.670 1.00 32.21 N ATOM 1025 CD2 HIS A 70 24.145 11.504 -19.838 1.00 71.55 C ATOM 1026 CE1 HIS A 70 26.179 12.320 -19.794 1.00 11.42 C ATOM 1027 NE2 HIS A 70 25.332 11.614 -20.520 1.00 53.03 N ATOM 0 H HIS A 70 22.047 12.780 -19.597 1.00 51.34 H new ATOM 0 HA HIS A 70 21.652 13.584 -16.960 1.00 24.03 H new ATOM 0 HB2 HIS A 70 23.898 12.478 -16.608 1.00 42.22 H new ATOM 0 HB3 HIS A 70 22.705 11.494 -17.432 1.00 42.22 H new ATOM 0 HD2 HIS A 70 23.260 10.985 -20.173 1.00 71.55 H new ATOM 0 HE1 HIS A 70 27.192 12.572 -20.072 1.00 11.42 H new ATOM 0 HE2 HIS A 70 25.527 11.215 -21.438 1.00 53.03 H new ATOM 1035 N ARG A 71 24.088 15.204 -18.501 1.00 21.50 N ATOM 1036 CA ARG A 71 24.928 16.393 -18.434 1.00 42.21 C ATOM 1037 C ARG A 71 24.098 17.626 -18.090 1.00 0.34 C ATOM 1038 O ARG A 71 24.355 18.300 -17.092 1.00 70.14 O ATOM 1039 CB ARG A 71 25.652 16.608 -19.765 1.00 31.14 C ATOM 1040 CG ARG A 71 27.057 17.168 -19.610 1.00 74.35 C ATOM 1041 CD ARG A 71 27.566 17.761 -20.915 1.00 22.23 C ATOM 1042 NE ARG A 71 27.840 19.190 -20.796 1.00 12.41 N ATOM 1043 CZ ARG A 71 28.377 19.919 -21.768 1.00 51.20 C ATOM 1044 NH1 ARG A 71 28.696 19.355 -22.925 1.00 12.31 N ATOM 1045 NH2 ARG A 71 28.595 21.215 -21.584 1.00 65.01 N ATOM 0 H ARG A 71 24.194 14.660 -19.357 1.00 21.50 H new ATOM 0 HA ARG A 71 25.666 16.242 -17.647 1.00 42.21 H new ATOM 0 HB2 ARG A 71 25.705 15.659 -20.298 1.00 31.14 H new ATOM 0 HB3 ARG A 71 25.065 17.288 -20.383 1.00 31.14 H new ATOM 0 HG2 ARG A 71 27.061 17.934 -18.835 1.00 74.35 H new ATOM 0 HG3 ARG A 71 27.731 16.377 -19.281 1.00 74.35 H new ATOM 0 HD2 ARG A 71 28.475 17.242 -21.219 1.00 22.23 H new ATOM 0 HD3 ARG A 71 26.828 17.598 -21.700 1.00 22.23 H new ATOM 0 HE ARG A 71 27.606 19.654 -19.918 1.00 12.41 H new ATOM 0 HH11 ARG A 71 28.529 18.359 -23.070 1.00 12.31 H new ATOM 0 HH12 ARG A 71 29.108 19.917 -23.670 1.00 12.31 H new ATOM 0 HH21 ARG A 71 28.350 21.652 -20.696 1.00 65.01 H new ATOM 0 HH22 ARG A 71 29.007 21.774 -22.331 1.00 65.01 H new ATOM 1059 N GLU A 72 23.103 17.915 -18.922 1.00 73.13 N ATOM 1060 CA GLU A 72 22.236 19.068 -18.706 1.00 24.33 C ATOM 1061 C GLU A 72 21.675 19.068 -17.287 1.00 24.44 C ATOM 1062 O GLU A 72 21.838 20.036 -16.544 1.00 11.23 O ATOM 1063 CB GLU A 72 21.090 19.070 -19.719 1.00 60.31 C ATOM 1064 CG GLU A 72 21.274 20.074 -20.845 1.00 24.34 C ATOM 1065 CD GLU A 72 19.962 20.474 -21.490 1.00 51.00 C ATOM 1066 OE1 GLU A 72 18.936 20.506 -20.779 1.00 71.12 O ATOM 1067 OE2 GLU A 72 19.962 20.756 -22.707 1.00 34.22 O ATOM 0 H GLU A 72 22.877 17.367 -19.752 1.00 73.13 H new ATOM 0 HA GLU A 72 22.833 19.970 -18.843 1.00 24.33 H new ATOM 0 HB2 GLU A 72 20.992 18.072 -20.146 1.00 60.31 H new ATOM 0 HB3 GLU A 72 20.157 19.287 -19.199 1.00 60.31 H new ATOM 0 HG2 GLU A 72 21.769 20.964 -20.456 1.00 24.34 H new ATOM 0 HG3 GLU A 72 21.932 19.648 -21.603 1.00 24.34 H new ATOM 1074 N ILE A 73 21.014 17.975 -16.918 1.00 44.51 N ATOM 1075 CA ILE A 73 20.430 17.849 -15.589 1.00 32.11 C ATOM 1076 C ILE A 73 21.469 18.111 -14.504 1.00 61.31 C ATOM 1077 O ILE A 73 21.168 18.717 -13.477 1.00 2.52 O ATOM 1078 CB ILE A 73 19.820 16.451 -15.373 1.00 13.41 C ATOM 1079 CG1 ILE A 73 18.709 16.193 -16.393 1.00 64.54 C ATOM 1080 CG2 ILE A 73 19.284 16.321 -13.955 1.00 22.41 C ATOM 1081 CD1 ILE A 73 18.193 14.771 -16.377 1.00 33.04 C ATOM 0 H ILE A 73 20.870 17.165 -17.521 1.00 44.51 H new ATOM 0 HA ILE A 73 19.640 18.597 -15.519 1.00 32.11 H new ATOM 0 HB ILE A 73 20.600 15.704 -15.516 1.00 13.41 H new ATOM 0 HG12 ILE A 73 17.881 16.874 -16.196 1.00 64.54 H new ATOM 0 HG13 ILE A 73 19.082 16.425 -17.391 1.00 64.54 H new ATOM 0 HG21 ILE A 73 18.856 15.328 -13.817 1.00 22.41 H new ATOM 0 HG22 ILE A 73 20.097 16.468 -13.244 1.00 22.41 H new ATOM 0 HG23 ILE A 73 18.514 17.074 -13.786 1.00 22.41 H new ATOM 0 HD11 ILE A 73 17.408 14.660 -17.125 1.00 33.04 H new ATOM 0 HD12 ILE A 73 19.009 14.085 -16.604 1.00 33.04 H new ATOM 0 HD13 ILE A 73 17.790 14.541 -15.391 1.00 33.04 H new ATOM 1093 N GLU A 74 22.693 17.650 -14.741 1.00 43.14 N ATOM 1094 CA GLU A 74 23.778 17.836 -13.784 1.00 75.12 C ATOM 1095 C GLU A 74 24.038 19.319 -13.539 1.00 4.23 C ATOM 1096 O GLU A 74 24.068 19.774 -12.396 1.00 21.14 O ATOM 1097 CB GLU A 74 25.054 17.159 -14.288 1.00 31.11 C ATOM 1098 CG GLU A 74 25.389 15.870 -13.556 1.00 2.43 C ATOM 1099 CD GLU A 74 25.784 16.106 -12.111 1.00 14.34 C ATOM 1100 OE1 GLU A 74 24.882 16.144 -11.247 1.00 62.45 O ATOM 1101 OE2 GLU A 74 26.995 16.253 -11.843 1.00 52.44 O ATOM 0 H GLU A 74 22.958 17.145 -15.587 1.00 43.14 H new ATOM 0 HA GLU A 74 23.480 17.377 -12.842 1.00 75.12 H new ATOM 0 HB2 GLU A 74 24.946 16.946 -15.351 1.00 31.11 H new ATOM 0 HB3 GLU A 74 25.888 17.853 -14.185 1.00 31.11 H new ATOM 0 HG2 GLU A 74 24.527 15.203 -13.589 1.00 2.43 H new ATOM 0 HG3 GLU A 74 26.204 15.364 -14.074 1.00 2.43 H new ATOM 1108 N MET A 75 24.227 20.068 -14.621 1.00 23.35 N ATOM 1109 CA MET A 75 24.485 21.500 -14.523 1.00 61.31 C ATOM 1110 C MET A 75 23.228 22.250 -14.095 1.00 3.45 C ATOM 1111 O MET A 75 23.306 23.359 -13.566 1.00 43.12 O ATOM 1112 CB MET A 75 24.985 22.042 -15.863 1.00 62.04 C ATOM 1113 CG MET A 75 23.943 21.985 -16.969 1.00 23.12 C ATOM 1114 SD MET A 75 24.407 22.962 -18.411 1.00 52.43 S ATOM 1115 CE MET A 75 25.833 22.049 -18.995 1.00 11.31 C ATOM 0 H MET A 75 24.206 19.707 -15.575 1.00 23.35 H new ATOM 0 HA MET A 75 25.255 21.655 -13.767 1.00 61.31 H new ATOM 0 HB2 MET A 75 25.306 23.075 -15.731 1.00 62.04 H new ATOM 0 HB3 MET A 75 25.862 21.473 -16.171 1.00 62.04 H new ATOM 0 HG2 MET A 75 23.795 20.948 -17.270 1.00 23.12 H new ATOM 0 HG3 MET A 75 22.989 22.344 -16.583 1.00 23.12 H new ATOM 0 HE1 MET A 75 26.148 22.445 -19.961 1.00 11.31 H new ATOM 0 HE2 MET A 75 26.648 22.150 -18.278 1.00 11.31 H new ATOM 0 HE3 MET A 75 25.572 20.996 -19.102 1.00 11.31 H new ATOM 1125 N ALA A 76 22.071 21.639 -14.326 1.00 43.02 N ATOM 1126 CA ALA A 76 20.799 22.249 -13.962 1.00 54.24 C ATOM 1127 C ALA A 76 20.671 22.392 -12.450 1.00 12.24 C ATOM 1128 O ALA A 76 20.146 23.389 -11.954 1.00 22.00 O ATOM 1129 CB ALA A 76 19.643 21.430 -14.517 1.00 33.54 C ATOM 0 H ALA A 76 21.989 20.721 -14.764 1.00 43.02 H new ATOM 0 HA ALA A 76 20.765 23.247 -14.399 1.00 54.24 H new ATOM 0 HB1 ALA A 76 18.699 21.897 -14.237 1.00 33.54 H new ATOM 0 HB2 ALA A 76 19.718 21.385 -15.603 1.00 33.54 H new ATOM 0 HB3 ALA A 76 19.683 20.420 -14.108 1.00 33.54 H new ATOM 1135 N GLN A 77 21.153 21.390 -11.722 1.00 71.43 N ATOM 1136 CA GLN A 77 21.091 21.404 -10.266 1.00 15.34 C ATOM 1137 C GLN A 77 21.886 22.576 -9.698 1.00 73.35 C ATOM 1138 O GLN A 77 21.327 23.470 -9.064 1.00 14.32 O ATOM 1139 CB GLN A 77 21.624 20.088 -9.698 1.00 20.11 C ATOM 1140 CG GLN A 77 20.661 18.922 -9.856 1.00 50.41 C ATOM 1141 CD GLN A 77 21.240 17.614 -9.355 1.00 3.44 C ATOM 1142 OE1 GLN A 77 22.405 17.301 -9.605 1.00 13.43 O ATOM 1143 NE2 GLN A 77 20.429 16.842 -8.642 1.00 31.21 N ATOM 0 H GLN A 77 21.591 20.558 -12.117 1.00 71.43 H new ATOM 0 HA GLN A 77 20.047 21.521 -9.974 1.00 15.34 H new ATOM 0 HB2 GLN A 77 22.563 19.842 -10.193 1.00 20.11 H new ATOM 0 HB3 GLN A 77 21.848 20.223 -8.640 1.00 20.11 H new ATOM 0 HG2 GLN A 77 19.741 19.139 -9.313 1.00 50.41 H new ATOM 0 HG3 GLN A 77 20.393 18.817 -10.907 1.00 50.41 H new ATOM 0 HE21 GLN A 77 19.471 17.141 -8.459 1.00 31.21 H new ATOM 0 HE22 GLN A 77 20.764 15.950 -8.277 1.00 31.21 H new ATOM 1152 N LYS A 78 23.194 22.564 -9.931 1.00 52.10 N ATOM 1153 CA LYS A 78 24.067 23.625 -9.445 1.00 3.43 C ATOM 1154 C LYS A 78 23.539 24.996 -9.856 1.00 1.01 C ATOM 1155 O LYS A 78 23.550 25.940 -9.065 1.00 20.14 O ATOM 1156 CB LYS A 78 25.487 23.432 -9.982 1.00 61.00 C ATOM 1157 CG LYS A 78 26.343 22.516 -9.124 1.00 54.10 C ATOM 1158 CD LYS A 78 27.489 21.915 -9.921 1.00 13.53 C ATOM 1159 CE LYS A 78 28.803 22.006 -9.161 1.00 22.31 C ATOM 1160 NZ LYS A 78 29.737 22.986 -9.782 1.00 33.31 N ATOM 0 H LYS A 78 23.673 21.831 -10.454 1.00 52.10 H new ATOM 0 HA LYS A 78 24.087 23.574 -8.356 1.00 3.43 H new ATOM 0 HB2 LYS A 78 25.432 23.024 -10.991 1.00 61.00 H new ATOM 0 HB3 LYS A 78 25.973 24.405 -10.057 1.00 61.00 H new ATOM 0 HG2 LYS A 78 26.741 23.076 -8.278 1.00 54.10 H new ATOM 0 HG3 LYS A 78 25.725 21.717 -8.715 1.00 54.10 H new ATOM 0 HD2 LYS A 78 27.269 20.871 -10.146 1.00 13.53 H new ATOM 0 HD3 LYS A 78 27.582 22.434 -10.875 1.00 13.53 H new ATOM 0 HE2 LYS A 78 28.606 22.296 -8.129 1.00 22.31 H new ATOM 0 HE3 LYS A 78 29.274 21.024 -9.132 1.00 22.31 H new ATOM 0 HZ1 LYS A 78 30.621 23.018 -9.234 1.00 33.31 H new ATOM 0 HZ2 LYS A 78 29.945 22.696 -10.759 1.00 33.31 H new ATOM 0 HZ3 LYS A 78 29.298 23.929 -9.787 1.00 33.31 H new ATOM 1174 N LEU A 79 23.076 25.099 -11.097 1.00 22.52 N ATOM 1175 CA LEU A 79 22.542 26.354 -11.613 1.00 12.12 C ATOM 1176 C LEU A 79 21.456 26.902 -10.693 1.00 55.41 C ATOM 1177 O LEU A 79 21.497 28.066 -10.290 1.00 22.41 O ATOM 1178 CB LEU A 79 21.980 26.151 -13.021 1.00 15.51 C ATOM 1179 CG LEU A 79 22.836 26.686 -14.169 1.00 42.11 C ATOM 1180 CD1 LEU A 79 24.251 26.137 -14.080 1.00 25.32 C ATOM 1181 CD2 LEU A 79 22.209 26.335 -15.511 1.00 24.25 C ATOM 0 H LEU A 79 23.060 24.328 -11.765 1.00 22.52 H new ATOM 0 HA LEU A 79 23.356 27.078 -11.655 1.00 12.12 H new ATOM 0 HB2 LEU A 79 21.824 25.084 -13.178 1.00 15.51 H new ATOM 0 HB3 LEU A 79 21.001 26.627 -13.072 1.00 15.51 H new ATOM 0 HG LEU A 79 22.883 27.772 -14.086 1.00 42.11 H new ATOM 0 HD11 LEU A 79 24.846 26.529 -14.905 1.00 25.32 H new ATOM 0 HD12 LEU A 79 24.700 26.439 -13.134 1.00 25.32 H new ATOM 0 HD13 LEU A 79 24.223 25.049 -14.137 1.00 25.32 H new ATOM 0 HD21 LEU A 79 22.832 26.724 -16.316 1.00 24.25 H new ATOM 0 HD22 LEU A 79 22.130 25.252 -15.604 1.00 24.25 H new ATOM 0 HD23 LEU A 79 21.215 26.778 -15.575 1.00 24.25 H new ATOM 1193 N LEU A 80 20.485 26.057 -10.363 1.00 41.42 N ATOM 1194 CA LEU A 80 19.388 26.456 -9.488 1.00 51.23 C ATOM 1195 C LEU A 80 19.917 27.069 -8.195 1.00 63.55 C ATOM 1196 O LEU A 80 19.397 28.074 -7.715 1.00 40.51 O ATOM 1197 CB LEU A 80 18.500 25.252 -9.170 1.00 1.04 C ATOM 1198 CG LEU A 80 17.195 25.153 -9.959 1.00 74.14 C ATOM 1199 CD1 LEU A 80 17.464 25.260 -11.452 1.00 43.42 C ATOM 1200 CD2 LEU A 80 16.474 23.851 -9.638 1.00 44.41 C ATOM 0 H LEU A 80 20.435 25.091 -10.688 1.00 41.42 H new ATOM 0 HA LEU A 80 18.796 27.209 -10.009 1.00 51.23 H new ATOM 0 HB2 LEU A 80 19.077 24.344 -9.346 1.00 1.04 H new ATOM 0 HB3 LEU A 80 18.258 25.275 -8.108 1.00 1.04 H new ATOM 0 HG LEU A 80 16.552 25.983 -9.665 1.00 74.14 H new ATOM 0 HD11 LEU A 80 16.523 25.187 -11.997 1.00 43.42 H new ATOM 0 HD12 LEU A 80 17.936 26.218 -11.669 1.00 43.42 H new ATOM 0 HD13 LEU A 80 18.126 24.451 -11.761 1.00 43.42 H new ATOM 0 HD21 LEU A 80 15.547 23.798 -10.209 1.00 44.41 H new ATOM 0 HD22 LEU A 80 17.112 23.007 -9.902 1.00 44.41 H new ATOM 0 HD23 LEU A 80 16.246 23.814 -8.573 1.00 44.41 H new ATOM 1212 N ASN A 81 20.957 26.455 -7.638 1.00 54.25 N ATOM 1213 CA ASN A 81 21.558 26.941 -6.402 1.00 10.12 C ATOM 1214 C ASN A 81 21.899 28.424 -6.509 1.00 15.43 C ATOM 1215 O ASN A 81 21.330 29.255 -5.800 1.00 22.11 O ATOM 1216 CB ASN A 81 22.819 26.139 -6.074 1.00 41.11 C ATOM 1217 CG ASN A 81 22.809 25.600 -4.657 1.00 4.13 C ATOM 1218 OD1 ASN A 81 23.720 25.868 -3.873 1.00 12.34 O ATOM 1219 ND2 ASN A 81 21.777 24.835 -4.322 1.00 12.32 N ATOM 0 H ASN A 81 21.400 25.621 -8.023 1.00 54.25 H new ATOM 0 HA ASN A 81 20.833 26.810 -5.599 1.00 10.12 H new ATOM 0 HB2 ASN A 81 22.911 25.309 -6.775 1.00 41.11 H new ATOM 0 HB3 ASN A 81 23.695 26.772 -6.213 1.00 41.11 H new ATOM 0 HD21 ASN A 81 21.717 24.443 -3.382 1.00 12.32 H new ATOM 0 HD22 ASN A 81 21.045 24.639 -5.004 1.00 12.32 H new ATOM 1226 N SER A 82 22.829 28.750 -7.400 1.00 64.51 N ATOM 1227 CA SER A 82 23.248 30.132 -7.598 1.00 43.21 C ATOM 1228 C SER A 82 22.044 31.033 -7.854 1.00 42.35 C ATOM 1229 O SER A 82 21.938 32.122 -7.289 1.00 61.13 O ATOM 1230 CB SER A 82 24.229 30.227 -8.768 1.00 43.43 C ATOM 1231 OG SER A 82 25.528 30.572 -8.318 1.00 61.03 O ATOM 0 H SER A 82 23.307 28.075 -7.997 1.00 64.51 H new ATOM 0 HA SER A 82 23.745 30.469 -6.688 1.00 43.21 H new ATOM 0 HB2 SER A 82 24.265 29.274 -9.295 1.00 43.43 H new ATOM 0 HB3 SER A 82 23.878 30.973 -9.481 1.00 43.43 H new ATOM 0 HG SER A 82 26.136 30.625 -9.084 1.00 61.03 H new ATOM 1237 N ASP A 83 21.139 30.571 -8.710 1.00 45.55 N ATOM 1238 CA ASP A 83 19.941 31.334 -9.042 1.00 45.02 C ATOM 1239 C ASP A 83 19.169 31.708 -7.781 1.00 75.52 C ATOM 1240 O ASP A 83 18.748 32.853 -7.614 1.00 52.14 O ATOM 1241 CB ASP A 83 19.045 30.531 -9.986 1.00 31.12 C ATOM 1242 CG ASP A 83 19.778 30.073 -11.231 1.00 62.31 C ATOM 1243 OD1 ASP A 83 20.631 30.835 -11.731 1.00 52.44 O ATOM 1244 OD2 ASP A 83 19.499 28.952 -11.706 1.00 31.31 O ATOM 0 H ASP A 83 21.212 29.672 -9.187 1.00 45.55 H new ATOM 0 HA ASP A 83 20.251 32.252 -9.542 1.00 45.02 H new ATOM 0 HB2 ASP A 83 18.653 29.661 -9.458 1.00 31.12 H new ATOM 0 HB3 ASP A 83 18.189 31.140 -10.276 1.00 31.12 H new ATOM 1249 N LEU A 84 18.984 30.734 -6.896 1.00 61.15 N ATOM 1250 CA LEU A 84 18.261 30.960 -5.650 1.00 75.40 C ATOM 1251 C LEU A 84 18.821 32.167 -4.906 1.00 4.12 C ATOM 1252 O LEU A 84 18.132 33.169 -4.720 1.00 12.31 O ATOM 1253 CB LEU A 84 18.337 29.717 -4.761 1.00 1.43 C ATOM 1254 CG LEU A 84 17.470 29.739 -3.501 1.00 71.15 C ATOM 1255 CD1 LEU A 84 16.015 29.996 -3.860 1.00 35.10 C ATOM 1256 CD2 LEU A 84 17.609 28.431 -2.735 1.00 45.44 C ATOM 0 H LEU A 84 19.325 29.780 -7.019 1.00 61.15 H new ATOM 0 HA LEU A 84 17.218 31.161 -5.895 1.00 75.40 H new ATOM 0 HB2 LEU A 84 18.054 28.850 -5.358 1.00 1.43 H new ATOM 0 HB3 LEU A 84 19.375 29.572 -4.461 1.00 1.43 H new ATOM 0 HG LEU A 84 17.814 30.551 -2.860 1.00 71.15 H new ATOM 0 HD11 LEU A 84 15.413 30.008 -2.952 1.00 35.10 H new ATOM 0 HD12 LEU A 84 15.929 30.958 -4.365 1.00 35.10 H new ATOM 0 HD13 LEU A 84 15.658 29.206 -4.521 1.00 35.10 H new ATOM 0 HD21 LEU A 84 16.985 28.464 -1.842 1.00 45.44 H new ATOM 0 HD22 LEU A 84 17.291 27.603 -3.369 1.00 45.44 H new ATOM 0 HD23 LEU A 84 18.650 28.288 -2.446 1.00 45.44 H new ATOM 1268 N ALA A 85 20.078 32.065 -4.484 1.00 75.30 N ATOM 1269 CA ALA A 85 20.733 33.150 -3.764 1.00 75.21 C ATOM 1270 C ALA A 85 20.604 34.467 -4.521 1.00 41.13 C ATOM 1271 O ALA A 85 20.451 35.528 -3.917 1.00 25.01 O ATOM 1272 CB ALA A 85 22.198 32.816 -3.526 1.00 52.31 C ATOM 0 H ALA A 85 20.663 31.242 -4.629 1.00 75.30 H new ATOM 0 HA ALA A 85 20.237 33.266 -2.800 1.00 75.21 H new ATOM 0 HB1 ALA A 85 22.675 33.635 -2.987 1.00 52.31 H new ATOM 0 HB2 ALA A 85 22.272 31.902 -2.936 1.00 52.31 H new ATOM 0 HB3 ALA A 85 22.698 32.671 -4.483 1.00 52.31 H new ATOM 1278 N GLU A 86 20.668 34.391 -5.847 1.00 53.21 N ATOM 1279 CA GLU A 86 20.560 35.579 -6.686 1.00 11.24 C ATOM 1280 C GLU A 86 19.178 36.213 -6.556 1.00 73.23 C ATOM 1281 O GLU A 86 19.053 37.420 -6.343 1.00 32.52 O ATOM 1282 CB GLU A 86 20.836 35.225 -8.148 1.00 74.24 C ATOM 1283 CG GLU A 86 22.174 35.735 -8.656 1.00 72.23 C ATOM 1284 CD GLU A 86 22.259 37.249 -8.656 1.00 64.31 C ATOM 1285 OE1 GLU A 86 21.421 37.891 -9.322 1.00 50.11 O ATOM 1286 OE2 GLU A 86 23.165 37.791 -7.989 1.00 64.01 O ATOM 0 H GLU A 86 20.794 33.520 -6.363 1.00 53.21 H new ATOM 0 HA GLU A 86 21.304 36.300 -6.348 1.00 11.24 H new ATOM 0 HB2 GLU A 86 20.802 34.142 -8.263 1.00 74.24 H new ATOM 0 HB3 GLU A 86 20.040 35.637 -8.769 1.00 74.24 H new ATOM 0 HG2 GLU A 86 22.973 35.330 -8.035 1.00 72.23 H new ATOM 0 HG3 GLU A 86 22.339 35.366 -9.668 1.00 72.23 H new ATOM 1293 N LEU A 87 18.142 35.391 -6.688 1.00 2.14 N ATOM 1294 CA LEU A 87 16.768 35.870 -6.586 1.00 71.11 C ATOM 1295 C LEU A 87 16.471 36.378 -5.179 1.00 51.31 C ATOM 1296 O LEU A 87 16.090 37.535 -4.994 1.00 32.50 O ATOM 1297 CB LEU A 87 15.790 34.753 -6.954 1.00 55.13 C ATOM 1298 CG LEU A 87 16.061 34.031 -8.275 1.00 12.42 C ATOM 1299 CD1 LEU A 87 15.796 32.541 -8.133 1.00 33.34 C ATOM 1300 CD2 LEU A 87 15.210 34.622 -9.390 1.00 5.20 C ATOM 0 H LEU A 87 18.228 34.390 -6.866 1.00 2.14 H new ATOM 0 HA LEU A 87 16.645 36.698 -7.284 1.00 71.11 H new ATOM 0 HB2 LEU A 87 15.795 34.015 -6.152 1.00 55.13 H new ATOM 0 HB3 LEU A 87 14.786 35.175 -6.993 1.00 55.13 H new ATOM 0 HG LEU A 87 17.111 34.169 -8.534 1.00 12.42 H new ATOM 0 HD11 LEU A 87 15.994 32.044 -9.083 1.00 33.34 H new ATOM 0 HD12 LEU A 87 16.448 32.127 -7.364 1.00 33.34 H new ATOM 0 HD13 LEU A 87 14.755 32.382 -7.850 1.00 33.34 H new ATOM 0 HD21 LEU A 87 15.416 34.096 -10.322 1.00 5.20 H new ATOM 0 HD22 LEU A 87 14.155 34.515 -9.138 1.00 5.20 H new ATOM 0 HD23 LEU A 87 15.449 35.679 -9.509 1.00 5.20 H new ATOM 1312 N ILE A 88 16.650 35.508 -4.191 1.00 52.01 N ATOM 1313 CA ILE A 88 16.404 35.870 -2.801 1.00 1.42 C ATOM 1314 C ILE A 88 17.156 37.142 -2.423 1.00 22.11 C ATOM 1315 O ILE A 88 16.682 37.938 -1.614 1.00 51.53 O ATOM 1316 CB ILE A 88 16.818 34.738 -1.842 1.00 45.33 C ATOM 1317 CG1 ILE A 88 16.109 33.436 -2.219 1.00 50.13 C ATOM 1318 CG2 ILE A 88 16.505 35.121 -0.404 1.00 3.24 C ATOM 1319 CD1 ILE A 88 14.600 33.533 -2.169 1.00 3.54 C ATOM 0 H ILE A 88 16.965 34.547 -4.327 1.00 52.01 H new ATOM 0 HA ILE A 88 15.332 36.042 -2.705 1.00 1.42 H new ATOM 0 HB ILE A 88 17.893 34.583 -1.930 1.00 45.33 H new ATOM 0 HG12 ILE A 88 16.413 33.144 -3.224 1.00 50.13 H new ATOM 0 HG13 ILE A 88 16.437 32.645 -1.545 1.00 50.13 H new ATOM 0 HG21 ILE A 88 16.803 34.311 0.261 1.00 3.24 H new ATOM 0 HG22 ILE A 88 17.052 36.026 -0.141 1.00 3.24 H new ATOM 0 HG23 ILE A 88 15.435 35.301 -0.300 1.00 3.24 H new ATOM 0 HD11 ILE A 88 14.164 32.574 -2.448 1.00 3.54 H new ATOM 0 HD12 ILE A 88 14.285 33.794 -1.159 1.00 3.54 H new ATOM 0 HD13 ILE A 88 14.262 34.301 -2.864 1.00 3.54 H new ATOM 1331 N ASN A 89 18.332 37.326 -3.016 1.00 35.04 N ATOM 1332 CA ASN A 89 19.150 38.502 -2.742 1.00 55.02 C ATOM 1333 C ASN A 89 18.397 39.782 -3.093 1.00 34.22 C ATOM 1334 O ASN A 89 18.245 40.675 -2.259 1.00 22.22 O ATOM 1335 CB ASN A 89 20.458 38.434 -3.533 1.00 32.04 C ATOM 1336 CG ASN A 89 21.587 37.818 -2.729 1.00 41.15 C ATOM 1337 OD1 ASN A 89 21.378 37.325 -1.621 1.00 63.20 O ATOM 1338 ND2 ASN A 89 22.792 37.844 -3.287 1.00 2.51 N ATOM 0 H ASN A 89 18.739 36.676 -3.689 1.00 35.04 H new ATOM 0 HA ASN A 89 19.377 38.516 -1.676 1.00 55.02 H new ATOM 0 HB2 ASN A 89 20.301 37.851 -4.440 1.00 32.04 H new ATOM 0 HB3 ASN A 89 20.744 39.439 -3.845 1.00 32.04 H new ATOM 0 HD21 ASN A 89 23.591 37.445 -2.794 1.00 2.51 H new ATOM 0 HD22 ASN A 89 22.919 38.263 -4.208 1.00 2.51 H new ATOM 1345 N LYS A 90 17.926 39.864 -4.332 1.00 74.15 N ATOM 1346 CA LYS A 90 17.186 41.033 -4.795 1.00 23.52 C ATOM 1347 C LYS A 90 16.044 41.366 -3.841 1.00 11.23 C ATOM 1348 O LYS A 90 15.762 42.535 -3.580 1.00 51.44 O ATOM 1349 CB LYS A 90 16.635 40.789 -6.202 1.00 3.33 C ATOM 1350 CG LYS A 90 17.709 40.478 -7.230 1.00 31.41 C ATOM 1351 CD LYS A 90 18.329 41.746 -7.791 1.00 1.44 C ATOM 1352 CE LYS A 90 19.159 41.459 -9.033 1.00 11.44 C ATOM 1353 NZ LYS A 90 18.303 41.208 -10.225 1.00 44.24 N ATOM 0 H LYS A 90 18.043 39.134 -5.035 1.00 74.15 H new ATOM 0 HA LYS A 90 17.872 41.879 -4.822 1.00 23.52 H new ATOM 0 HB2 LYS A 90 15.927 39.961 -6.167 1.00 3.33 H new ATOM 0 HB3 LYS A 90 16.080 41.670 -6.524 1.00 3.33 H new ATOM 0 HG2 LYS A 90 18.485 39.864 -6.772 1.00 31.41 H new ATOM 0 HG3 LYS A 90 17.278 39.893 -8.042 1.00 31.41 H new ATOM 0 HD2 LYS A 90 17.542 42.460 -8.035 1.00 1.44 H new ATOM 0 HD3 LYS A 90 18.957 42.212 -7.032 1.00 1.44 H new ATOM 0 HE2 LYS A 90 19.820 42.303 -9.231 1.00 11.44 H new ATOM 0 HE3 LYS A 90 19.795 40.592 -8.853 1.00 11.44 H new ATOM 0 HZ1 LYS A 90 18.900 41.151 -11.075 1.00 44.24 H new ATOM 0 HZ2 LYS A 90 17.790 40.312 -10.101 1.00 44.24 H new ATOM 0 HZ3 LYS A 90 17.621 41.986 -10.332 1.00 44.24 H new ATOM 1367 N MET A 91 15.391 40.331 -3.322 1.00 2.44 N ATOM 1368 CA MET A 91 14.281 40.516 -2.394 1.00 2.01 C ATOM 1369 C MET A 91 14.707 41.362 -1.198 1.00 61.20 C ATOM 1370 O MET A 91 14.038 42.331 -0.840 1.00 34.12 O ATOM 1371 CB MET A 91 13.758 39.160 -1.914 1.00 45.54 C ATOM 1372 CG MET A 91 12.423 39.245 -1.193 1.00 22.30 C ATOM 1373 SD MET A 91 12.324 38.127 0.218 1.00 24.32 S ATOM 1374 CE MET A 91 10.754 38.614 0.927 1.00 14.53 C ATOM 0 H MET A 91 15.611 39.357 -3.528 1.00 2.44 H new ATOM 0 HA MET A 91 13.483 41.039 -2.921 1.00 2.01 H new ATOM 0 HB2 MET A 91 13.657 38.494 -2.771 1.00 45.54 H new ATOM 0 HB3 MET A 91 14.494 38.711 -1.247 1.00 45.54 H new ATOM 0 HG2 MET A 91 12.262 40.268 -0.853 1.00 22.30 H new ATOM 0 HG3 MET A 91 11.621 39.012 -1.893 1.00 22.30 H new ATOM 0 HE1 MET A 91 10.304 37.761 1.435 1.00 14.53 H new ATOM 0 HE2 MET A 91 10.913 39.421 1.643 1.00 14.53 H new ATOM 0 HE3 MET A 91 10.088 38.957 0.135 1.00 14.53 H new ATOM 1384 N LYS A 92 15.825 40.989 -0.583 1.00 75.03 N ATOM 1385 CA LYS A 92 16.341 41.713 0.572 1.00 40.31 C ATOM 1386 C LYS A 92 16.545 43.188 0.242 1.00 5.54 C ATOM 1387 O LYS A 92 16.307 44.061 1.079 1.00 73.24 O ATOM 1388 CB LYS A 92 17.662 41.096 1.038 1.00 14.10 C ATOM 1389 CG LYS A 92 17.507 39.708 1.635 1.00 61.14 C ATOM 1390 CD LYS A 92 16.786 39.753 2.972 1.00 65.44 C ATOM 1391 CE LYS A 92 16.814 38.399 3.665 1.00 54.01 C ATOM 1392 NZ LYS A 92 15.807 38.316 4.759 1.00 74.12 N ATOM 0 H LYS A 92 16.391 40.189 -0.866 1.00 75.03 H new ATOM 0 HA LYS A 92 15.608 41.636 1.375 1.00 40.31 H new ATOM 0 HB2 LYS A 92 18.348 41.044 0.192 1.00 14.10 H new ATOM 0 HB3 LYS A 92 18.119 41.752 1.779 1.00 14.10 H new ATOM 0 HG2 LYS A 92 16.953 39.073 0.943 1.00 61.14 H new ATOM 0 HG3 LYS A 92 18.490 39.255 1.766 1.00 61.14 H new ATOM 0 HD2 LYS A 92 17.252 40.501 3.613 1.00 65.44 H new ATOM 0 HD3 LYS A 92 15.752 40.064 2.819 1.00 65.44 H new ATOM 0 HE2 LYS A 92 16.623 37.613 2.935 1.00 54.01 H new ATOM 0 HE3 LYS A 92 17.809 38.220 4.073 1.00 54.01 H new ATOM 0 HZ1 LYS A 92 15.762 37.340 5.116 1.00 74.12 H new ATOM 0 HZ2 LYS A 92 16.081 38.955 5.532 1.00 74.12 H new ATOM 0 HZ3 LYS A 92 14.874 38.594 4.394 1.00 74.12 H new ATOM 1406 N LEU A 93 16.987 43.461 -0.981 1.00 30.05 N ATOM 1407 CA LEU A 93 17.222 44.832 -1.421 1.00 71.44 C ATOM 1408 C LEU A 93 15.913 45.611 -1.496 1.00 42.44 C ATOM 1409 O LEU A 93 15.693 46.549 -0.730 1.00 70.21 O ATOM 1410 CB LEU A 93 17.912 44.838 -2.787 1.00 34.12 C ATOM 1411 CG LEU A 93 19.435 44.713 -2.770 1.00 5.34 C ATOM 1412 CD1 LEU A 93 20.084 46.089 -2.779 1.00 73.01 C ATOM 1413 CD2 LEU A 93 19.892 43.915 -1.557 1.00 53.10 C ATOM 0 H LEU A 93 17.190 42.751 -1.685 1.00 30.05 H new ATOM 0 HA LEU A 93 17.870 45.317 -0.691 1.00 71.44 H new ATOM 0 HB2 LEU A 93 17.507 44.018 -3.380 1.00 34.12 H new ATOM 0 HB3 LEU A 93 17.649 45.763 -3.300 1.00 34.12 H new ATOM 0 HG LEU A 93 19.746 44.181 -3.669 1.00 5.34 H new ATOM 0 HD11 LEU A 93 21.168 45.980 -2.767 1.00 73.01 H new ATOM 0 HD12 LEU A 93 19.784 46.627 -3.678 1.00 73.01 H new ATOM 0 HD13 LEU A 93 19.765 46.647 -1.899 1.00 73.01 H new ATOM 0 HD21 LEU A 93 20.979 43.836 -1.562 1.00 53.10 H new ATOM 0 HD22 LEU A 93 19.569 44.420 -0.647 1.00 53.10 H new ATOM 0 HD23 LEU A 93 19.456 42.917 -1.593 1.00 53.10 H new ATOM 1425 N ALA A 94 15.047 45.216 -2.424 1.00 20.05 N ATOM 1426 CA ALA A 94 13.758 45.875 -2.596 1.00 23.14 C ATOM 1427 C ALA A 94 13.001 45.954 -1.274 1.00 62.33 C ATOM 1428 O ALA A 94 12.390 46.974 -0.960 1.00 14.24 O ATOM 1429 CB ALA A 94 12.927 45.144 -3.640 1.00 1.04 C ATOM 0 H ALA A 94 15.215 44.443 -3.068 1.00 20.05 H new ATOM 0 HA ALA A 94 13.941 46.893 -2.941 1.00 23.14 H new ATOM 0 HB1 ALA A 94 11.967 45.647 -3.758 1.00 1.04 H new ATOM 0 HB2 ALA A 94 13.457 45.145 -4.593 1.00 1.04 H new ATOM 0 HB3 ALA A 94 12.761 44.116 -3.318 1.00 1.04 H new ATOM 1435 N GLN A 95 13.047 44.870 -0.506 1.00 55.01 N ATOM 1436 CA GLN A 95 12.363 44.817 0.781 1.00 40.42 C ATOM 1437 C GLN A 95 12.828 45.949 1.691 1.00 41.41 C ATOM 1438 O GLN A 95 12.092 46.390 2.573 1.00 3.14 O ATOM 1439 CB GLN A 95 12.610 43.468 1.458 1.00 14.33 C ATOM 1440 CG GLN A 95 11.702 42.359 0.952 1.00 23.53 C ATOM 1441 CD GLN A 95 10.390 42.288 1.707 1.00 33.04 C ATOM 1442 OE1 GLN A 95 10.188 42.998 2.693 1.00 24.33 O ATOM 1443 NE2 GLN A 95 9.487 41.429 1.247 1.00 3.25 N ATOM 0 H GLN A 95 13.550 44.018 -0.752 1.00 55.01 H new ATOM 0 HA GLN A 95 11.294 44.935 0.602 1.00 40.42 H new ATOM 0 HB2 GLN A 95 13.648 43.176 1.301 1.00 14.33 H new ATOM 0 HB3 GLN A 95 12.470 43.579 2.533 1.00 14.33 H new ATOM 0 HG2 GLN A 95 11.499 42.516 -0.107 1.00 23.53 H new ATOM 0 HG3 GLN A 95 12.219 41.403 1.039 1.00 23.53 H new ATOM 0 HE21 GLN A 95 9.696 40.860 0.427 1.00 3.25 H new ATOM 0 HE22 GLN A 95 8.585 41.339 1.714 1.00 3.25 H new ATOM 1452 N GLN A 96 14.053 46.414 1.470 1.00 44.42 N ATOM 1453 CA GLN A 96 14.616 47.494 2.271 1.00 2.55 C ATOM 1454 C GLN A 96 14.452 48.837 1.567 1.00 5.43 C ATOM 1455 O GLN A 96 14.322 49.877 2.214 1.00 33.11 O ATOM 1456 CB GLN A 96 16.096 47.230 2.554 1.00 42.51 C ATOM 1457 CG GLN A 96 16.851 48.457 3.039 1.00 3.42 C ATOM 1458 CD GLN A 96 17.862 48.131 4.121 1.00 62.34 C ATOM 1459 OE1 GLN A 96 18.183 46.965 4.355 1.00 41.21 O ATOM 1460 NE2 GLN A 96 18.371 49.161 4.787 1.00 73.33 N ATOM 0 H GLN A 96 14.675 46.060 0.743 1.00 44.42 H new ATOM 0 HA GLN A 96 14.074 47.532 3.216 1.00 2.55 H new ATOM 0 HB2 GLN A 96 16.179 46.443 3.303 1.00 42.51 H new ATOM 0 HB3 GLN A 96 16.570 46.857 1.646 1.00 42.51 H new ATOM 0 HG2 GLN A 96 17.364 48.920 2.196 1.00 3.42 H new ATOM 0 HG3 GLN A 96 16.139 49.189 3.421 1.00 3.42 H new ATOM 0 HE21 GLN A 96 18.077 50.111 4.560 1.00 73.33 H new ATOM 0 HE22 GLN A 96 19.056 49.002 5.525 1.00 73.33 H new ATOM 1469 N TYR A 97 14.461 48.808 0.239 1.00 10.24 N ATOM 1470 CA TYR A 97 14.316 50.024 -0.553 1.00 22.32 C ATOM 1471 C TYR A 97 12.886 50.175 -1.062 1.00 10.11 C ATOM 1472 O TYR A 97 12.657 50.658 -2.171 1.00 10.32 O ATOM 1473 CB TYR A 97 15.290 50.008 -1.732 1.00 61.12 C ATOM 1474 CG TYR A 97 16.698 50.413 -1.360 1.00 4.40 C ATOM 1475 CD1 TYR A 97 17.059 51.753 -1.284 1.00 1.24 C ATOM 1476 CD2 TYR A 97 17.668 49.457 -1.086 1.00 4.44 C ATOM 1477 CE1 TYR A 97 18.345 52.129 -0.945 1.00 33.43 C ATOM 1478 CE2 TYR A 97 18.956 49.824 -0.744 1.00 71.44 C ATOM 1479 CZ TYR A 97 19.289 51.160 -0.675 1.00 43.25 C ATOM 1480 OH TYR A 97 20.571 51.529 -0.337 1.00 41.03 O ATOM 0 H TYR A 97 14.567 47.956 -0.312 1.00 10.24 H new ATOM 0 HA TYR A 97 14.546 50.875 0.088 1.00 22.32 H new ATOM 0 HB2 TYR A 97 15.311 49.006 -2.162 1.00 61.12 H new ATOM 0 HB3 TYR A 97 14.920 50.680 -2.507 1.00 61.12 H new ATOM 0 HD1 TYR A 97 16.322 52.514 -1.494 1.00 1.24 H new ATOM 0 HD2 TYR A 97 17.411 48.409 -1.141 1.00 4.44 H new ATOM 0 HE1 TYR A 97 18.609 53.175 -0.892 1.00 33.43 H new ATOM 0 HE2 TYR A 97 19.698 49.068 -0.532 1.00 71.44 H new ATOM 0 HH TYR A 97 21.111 50.727 -0.177 1.00 41.03 H new ATOM 1490 N VAL A 98 11.926 49.759 -0.242 1.00 71.42 N ATOM 1491 CA VAL A 98 10.517 49.849 -0.607 1.00 21.32 C ATOM 1492 C VAL A 98 9.809 50.931 0.200 1.00 52.43 C ATOM 1493 O VAL A 98 8.875 51.569 -0.285 1.00 14.22 O ATOM 1494 CB VAL A 98 9.794 48.506 -0.389 1.00 41.23 C ATOM 1495 CG1 VAL A 98 9.967 48.033 1.046 1.00 73.01 C ATOM 1496 CG2 VAL A 98 8.320 48.632 -0.744 1.00 62.34 C ATOM 0 H VAL A 98 12.098 49.356 0.679 1.00 71.42 H new ATOM 0 HA VAL A 98 10.480 50.106 -1.666 1.00 21.32 H new ATOM 0 HB VAL A 98 10.241 47.761 -1.047 1.00 41.23 H new ATOM 0 HG11 VAL A 98 9.450 47.083 1.181 1.00 73.01 H new ATOM 0 HG12 VAL A 98 11.028 47.902 1.261 1.00 73.01 H new ATOM 0 HG13 VAL A 98 9.548 48.774 1.726 1.00 73.01 H new ATOM 0 HG21 VAL A 98 7.824 47.675 -0.584 1.00 62.34 H new ATOM 0 HG22 VAL A 98 7.857 49.390 -0.112 1.00 62.34 H new ATOM 0 HG23 VAL A 98 8.221 48.922 -1.790 1.00 62.34 H new ATOM 1506 N MET A 99 10.261 51.134 1.433 1.00 34.51 N ATOM 1507 CA MET A 99 9.671 52.141 2.307 1.00 52.10 C ATOM 1508 C MET A 99 9.890 53.543 1.747 1.00 64.45 C ATOM 1509 O MET A 99 9.118 54.461 2.022 1.00 1.44 O ATOM 1510 CB MET A 99 10.268 52.041 3.712 1.00 44.52 C ATOM 1511 CG MET A 99 9.898 53.208 4.614 1.00 62.42 C ATOM 1512 SD MET A 99 11.133 54.522 4.592 1.00 75.21 S ATOM 1513 CE MET A 99 12.580 53.636 5.165 1.00 0.22 C ATOM 0 H MET A 99 11.034 50.615 1.849 1.00 34.51 H new ATOM 0 HA MET A 99 8.598 51.955 2.362 1.00 52.10 H new ATOM 0 HB2 MET A 99 9.932 51.113 4.175 1.00 44.52 H new ATOM 0 HB3 MET A 99 11.354 51.983 3.633 1.00 44.52 H new ATOM 0 HG2 MET A 99 8.936 53.614 4.301 1.00 62.42 H new ATOM 0 HG3 MET A 99 9.775 52.848 5.635 1.00 62.42 H new ATOM 0 HE1 MET A 99 13.211 54.308 5.746 1.00 0.22 H new ATOM 0 HE2 MET A 99 12.270 52.798 5.790 1.00 0.22 H new ATOM 0 HE3 MET A 99 13.140 53.262 4.308 1.00 0.22 H new ATOM 1523 N THR A 100 10.949 53.701 0.958 1.00 61.20 N ATOM 1524 CA THR A 100 11.271 54.990 0.360 1.00 10.42 C ATOM 1525 C THR A 100 10.377 55.278 -0.841 1.00 1.34 C ATOM 1526 O THR A 100 9.471 56.108 -0.767 1.00 73.21 O ATOM 1527 CB THR A 100 12.744 55.051 -0.085 1.00 4.33 C ATOM 1528 OG1 THR A 100 13.605 54.864 1.044 1.00 2.23 O ATOM 1529 CG2 THR A 100 13.054 56.384 -0.750 1.00 23.13 C ATOM 0 H THR A 100 11.598 52.951 0.719 1.00 61.20 H new ATOM 0 HA THR A 100 11.099 55.745 1.127 1.00 10.42 H new ATOM 0 HB THR A 100 12.915 54.254 -0.808 1.00 4.33 H new ATOM 0 HG1 THR A 100 14.540 54.902 0.752 1.00 2.23 H new ATOM 0 HG21 THR A 100 14.100 56.404 -1.056 1.00 23.13 H new ATOM 0 HG22 THR A 100 12.418 56.510 -1.626 1.00 23.13 H new ATOM 0 HG23 THR A 100 12.867 57.194 -0.045 1.00 23.13 H new ATOM 1537 N SER A 101 10.638 54.587 -1.946 1.00 11.32 N ATOM 1538 CA SER A 101 9.858 54.771 -3.164 1.00 42.52 C ATOM 1539 C SER A 101 10.414 53.916 -4.299 1.00 15.10 C ATOM 1540 O SER A 101 9.678 53.499 -5.195 1.00 22.54 O ATOM 1541 CB SER A 101 9.856 56.245 -3.575 1.00 54.05 C ATOM 1542 OG SER A 101 9.545 56.390 -4.950 1.00 41.35 O ATOM 0 H SER A 101 11.383 53.895 -2.023 1.00 11.32 H new ATOM 0 HA SER A 101 8.834 54.456 -2.962 1.00 42.52 H new ATOM 0 HB2 SER A 101 9.129 56.792 -2.975 1.00 54.05 H new ATOM 0 HB3 SER A 101 10.833 56.684 -3.371 1.00 54.05 H new ATOM 0 HG SER A 101 9.548 57.341 -5.188 1.00 41.35 H new ATOM 1548 N LEU A 102 11.716 53.659 -4.254 1.00 61.05 N ATOM 1549 CA LEU A 102 12.372 52.853 -5.278 1.00 43.13 C ATOM 1550 C LEU A 102 12.052 51.373 -5.094 1.00 44.12 C ATOM 1551 O LEU A 102 12.949 50.556 -4.889 1.00 24.02 O ATOM 1552 CB LEU A 102 13.886 53.069 -5.233 1.00 31.14 C ATOM 1553 CG LEU A 102 14.352 54.471 -4.840 1.00 4.14 C ATOM 1554 CD1 LEU A 102 15.863 54.589 -4.975 1.00 34.30 C ATOM 1555 CD2 LEU A 102 13.655 55.523 -5.690 1.00 3.00 C ATOM 0 H LEU A 102 12.339 53.997 -3.520 1.00 61.05 H new ATOM 0 HA LEU A 102 11.995 53.169 -6.251 1.00 43.13 H new ATOM 0 HB2 LEU A 102 14.314 52.355 -4.529 1.00 31.14 H new ATOM 0 HB3 LEU A 102 14.296 52.834 -6.215 1.00 31.14 H new ATOM 0 HG LEU A 102 14.087 54.642 -3.797 1.00 4.14 H new ATOM 0 HD11 LEU A 102 16.176 55.594 -4.691 1.00 34.30 H new ATOM 0 HD12 LEU A 102 16.345 53.861 -4.323 1.00 34.30 H new ATOM 0 HD13 LEU A 102 16.152 54.397 -6.008 1.00 34.30 H new ATOM 0 HD21 LEU A 102 13.999 56.515 -5.396 1.00 3.00 H new ATOM 0 HD22 LEU A 102 13.889 55.355 -6.741 1.00 3.00 H new ATOM 0 HD23 LEU A 102 12.577 55.454 -5.542 1.00 3.00 H new ATOM 1567 N GLN A 103 10.769 51.036 -5.171 1.00 40.35 N ATOM 1568 CA GLN A 103 10.332 49.654 -5.015 1.00 13.12 C ATOM 1569 C GLN A 103 10.142 48.986 -6.373 1.00 24.24 C ATOM 1570 O GLN A 103 10.684 47.910 -6.626 1.00 0.24 O ATOM 1571 CB GLN A 103 9.027 49.597 -4.219 1.00 11.04 C ATOM 1572 CG GLN A 103 7.945 50.520 -4.756 1.00 42.02 C ATOM 1573 CD GLN A 103 6.766 50.650 -3.812 1.00 23.31 C ATOM 1574 OE1 GLN A 103 6.344 49.674 -3.190 1.00 50.42 O ATOM 1575 NE2 GLN A 103 6.228 51.858 -3.699 1.00 51.33 N ATOM 0 H GLN A 103 10.014 51.701 -5.340 1.00 40.35 H new ATOM 0 HA GLN A 103 11.106 49.114 -4.470 1.00 13.12 H new ATOM 0 HB2 GLN A 103 8.654 48.573 -4.222 1.00 11.04 H new ATOM 0 HB3 GLN A 103 9.233 49.858 -3.181 1.00 11.04 H new ATOM 0 HG2 GLN A 103 8.371 51.507 -4.936 1.00 42.02 H new ATOM 0 HG3 GLN A 103 7.596 50.143 -5.717 1.00 42.02 H new ATOM 0 HE21 GLN A 103 6.610 52.638 -4.233 1.00 51.33 H new ATOM 0 HE22 GLN A 103 5.433 52.006 -3.078 1.00 51.33 H new ATOM 1584 N GLN A 104 9.370 49.630 -7.241 1.00 43.54 N ATOM 1585 CA GLN A 104 9.109 49.097 -8.573 1.00 62.00 C ATOM 1586 C GLN A 104 10.411 48.878 -9.337 1.00 21.24 C ATOM 1587 O GLN A 104 10.559 47.893 -10.060 1.00 15.32 O ATOM 1588 CB GLN A 104 8.198 50.045 -9.356 1.00 25.34 C ATOM 1589 CG GLN A 104 6.749 50.012 -8.898 1.00 3.23 C ATOM 1590 CD GLN A 104 6.154 51.398 -8.745 1.00 43.10 C ATOM 1591 OE1 GLN A 104 6.631 52.361 -9.347 1.00 21.31 O ATOM 1592 NE2 GLN A 104 5.106 51.507 -7.937 1.00 2.00 N ATOM 0 H GLN A 104 8.914 50.521 -7.046 1.00 43.54 H new ATOM 0 HA GLN A 104 8.609 48.135 -8.460 1.00 62.00 H new ATOM 0 HB2 GLN A 104 8.578 51.062 -9.260 1.00 25.34 H new ATOM 0 HB3 GLN A 104 8.242 49.787 -10.414 1.00 25.34 H new ATOM 0 HG2 GLN A 104 6.158 49.444 -9.616 1.00 3.23 H new ATOM 0 HG3 GLN A 104 6.685 49.486 -7.946 1.00 3.23 H new ATOM 0 HE21 GLN A 104 4.743 50.683 -7.458 1.00 2.00 H new ATOM 0 HE22 GLN A 104 4.664 52.415 -7.795 1.00 2.00 H new ATOM 1601 N GLU A 105 11.352 49.802 -9.170 1.00 52.23 N ATOM 1602 CA GLU A 105 12.641 49.709 -9.846 1.00 11.44 C ATOM 1603 C GLU A 105 13.308 48.366 -9.563 1.00 54.12 C ATOM 1604 O GLU A 105 13.572 47.587 -10.479 1.00 50.23 O ATOM 1605 CB GLU A 105 13.558 50.850 -9.400 1.00 43.23 C ATOM 1606 CG GLU A 105 13.472 52.081 -10.286 1.00 45.54 C ATOM 1607 CD GLU A 105 14.833 52.678 -10.589 1.00 42.24 C ATOM 1608 OE1 GLU A 105 15.757 52.496 -9.770 1.00 3.23 O ATOM 1609 OE2 GLU A 105 14.973 53.327 -11.647 1.00 44.22 O ATOM 0 H GLU A 105 11.246 50.622 -8.573 1.00 52.23 H new ATOM 0 HA GLU A 105 12.467 49.790 -10.919 1.00 11.44 H new ATOM 0 HB2 GLU A 105 13.305 51.130 -8.378 1.00 43.23 H new ATOM 0 HB3 GLU A 105 14.588 50.493 -9.387 1.00 43.23 H new ATOM 0 HG2 GLU A 105 12.979 51.817 -11.221 1.00 45.54 H new ATOM 0 HG3 GLU A 105 12.850 52.832 -9.799 1.00 45.54 H new ATOM 1616 N TYR A 106 13.577 48.103 -8.289 1.00 71.55 N ATOM 1617 CA TYR A 106 14.215 46.855 -7.886 1.00 4.55 C ATOM 1618 C TYR A 106 13.463 45.652 -8.445 1.00 70.00 C ATOM 1619 O TYR A 106 14.052 44.603 -8.708 1.00 41.44 O ATOM 1620 CB TYR A 106 14.284 46.764 -6.360 1.00 61.12 C ATOM 1621 CG TYR A 106 15.568 47.311 -5.778 1.00 32.00 C ATOM 1622 CD1 TYR A 106 16.779 46.663 -5.984 1.00 62.31 C ATOM 1623 CD2 TYR A 106 15.569 48.477 -5.022 1.00 42.13 C ATOM 1624 CE1 TYR A 106 17.954 47.159 -5.453 1.00 61.43 C ATOM 1625 CE2 TYR A 106 16.740 48.981 -4.489 1.00 13.21 C ATOM 1626 CZ TYR A 106 17.929 48.318 -4.707 1.00 3.13 C ATOM 1627 OH TYR A 106 19.098 48.816 -4.177 1.00 51.15 O ATOM 0 H TYR A 106 13.364 48.736 -7.518 1.00 71.55 H new ATOM 0 HA TYR A 106 15.227 46.847 -8.291 1.00 4.55 H new ATOM 0 HB2 TYR A 106 13.441 47.308 -5.934 1.00 61.12 H new ATOM 0 HB3 TYR A 106 14.175 45.721 -6.061 1.00 61.12 H new ATOM 0 HD1 TYR A 106 16.803 45.756 -6.569 1.00 62.31 H new ATOM 0 HD2 TYR A 106 14.639 48.998 -4.848 1.00 42.13 H new ATOM 0 HE1 TYR A 106 18.887 46.642 -5.621 1.00 61.43 H new ATOM 0 HE2 TYR A 106 16.724 49.889 -3.905 1.00 13.21 H new ATOM 0 HH TYR A 106 18.945 49.091 -3.249 1.00 51.15 H new ATOM 1637 N LYS A 107 12.156 45.811 -8.625 1.00 1.11 N ATOM 1638 CA LYS A 107 11.320 44.740 -9.155 1.00 3.41 C ATOM 1639 C LYS A 107 11.570 44.543 -10.647 1.00 12.22 C ATOM 1640 O LYS A 107 11.538 43.420 -11.149 1.00 70.50 O ATOM 1641 CB LYS A 107 9.842 45.051 -8.911 1.00 11.30 C ATOM 1642 CG LYS A 107 9.522 45.391 -7.465 1.00 62.34 C ATOM 1643 CD LYS A 107 8.481 44.446 -6.888 1.00 41.41 C ATOM 1644 CE LYS A 107 8.314 44.650 -5.390 1.00 71.20 C ATOM 1645 NZ LYS A 107 7.809 46.013 -5.068 1.00 51.34 N ATOM 0 H LYS A 107 11.652 46.672 -8.411 1.00 1.11 H new ATOM 0 HA LYS A 107 11.581 43.818 -8.636 1.00 3.41 H new ATOM 0 HB2 LYS A 107 9.546 45.886 -9.546 1.00 11.30 H new ATOM 0 HB3 LYS A 107 9.244 44.192 -9.214 1.00 11.30 H new ATOM 0 HG2 LYS A 107 10.432 45.339 -6.868 1.00 62.34 H new ATOM 0 HG3 LYS A 107 9.158 46.417 -7.403 1.00 62.34 H new ATOM 0 HD2 LYS A 107 7.525 44.607 -7.387 1.00 41.41 H new ATOM 0 HD3 LYS A 107 8.774 43.415 -7.086 1.00 41.41 H new ATOM 0 HE2 LYS A 107 7.623 43.905 -4.997 1.00 71.20 H new ATOM 0 HE3 LYS A 107 9.271 44.491 -4.893 1.00 71.20 H new ATOM 0 HZ1 LYS A 107 7.645 46.089 -4.044 1.00 51.34 H new ATOM 0 HZ2 LYS A 107 8.512 46.722 -5.360 1.00 51.34 H new ATOM 0 HZ3 LYS A 107 6.917 46.182 -5.575 1.00 51.34 H new ATOM 1659 N LYS A 108 11.819 45.642 -11.351 1.00 4.24 N ATOM 1660 CA LYS A 108 12.077 45.591 -12.785 1.00 24.33 C ATOM 1661 C LYS A 108 13.268 44.688 -13.091 1.00 61.13 C ATOM 1662 O LYS A 108 13.160 43.751 -13.882 1.00 11.11 O ATOM 1663 CB LYS A 108 12.338 46.998 -13.328 1.00 35.33 C ATOM 1664 CG LYS A 108 11.218 47.527 -14.207 1.00 33.02 C ATOM 1665 CD LYS A 108 11.558 48.891 -14.783 1.00 2.34 C ATOM 1666 CE LYS A 108 11.408 48.911 -16.296 1.00 64.31 C ATOM 1667 NZ LYS A 108 12.417 49.796 -16.942 1.00 14.10 N ATOM 0 H LYS A 108 11.848 46.580 -10.951 1.00 4.24 H new ATOM 0 HA LYS A 108 11.194 45.178 -13.273 1.00 24.33 H new ATOM 0 HB2 LYS A 108 12.485 47.680 -12.491 1.00 35.33 H new ATOM 0 HB3 LYS A 108 13.266 46.991 -13.900 1.00 35.33 H new ATOM 0 HG2 LYS A 108 11.029 46.825 -15.019 1.00 33.02 H new ATOM 0 HG3 LYS A 108 10.299 47.596 -13.625 1.00 33.02 H new ATOM 0 HD2 LYS A 108 10.907 49.646 -14.342 1.00 2.34 H new ATOM 0 HD3 LYS A 108 12.581 49.156 -14.514 1.00 2.34 H new ATOM 0 HE2 LYS A 108 11.512 47.898 -16.685 1.00 64.31 H new ATOM 0 HE3 LYS A 108 10.406 49.252 -16.557 1.00 64.31 H new ATOM 0 HZ1 LYS A 108 12.281 49.782 -17.973 1.00 14.10 H new ATOM 0 HZ2 LYS A 108 12.302 50.768 -16.591 1.00 14.10 H new ATOM 0 HZ3 LYS A 108 13.373 49.456 -16.714 1.00 14.10 H new ATOM 1681 N GLN A 109 14.401 44.976 -12.460 1.00 24.14 N ATOM 1682 CA GLN A 109 15.611 44.189 -12.665 1.00 64.43 C ATOM 1683 C GLN A 109 15.383 42.730 -12.284 1.00 20.23 C ATOM 1684 O GLN A 109 15.863 41.819 -12.959 1.00 12.44 O ATOM 1685 CB GLN A 109 16.767 44.767 -11.847 1.00 10.30 C ATOM 1686 CG GLN A 109 16.942 46.268 -12.017 1.00 75.23 C ATOM 1687 CD GLN A 109 16.800 47.024 -10.711 1.00 34.20 C ATOM 1688 OE1 GLN A 109 17.191 46.534 -9.651 1.00 50.12 O ATOM 1689 NE2 GLN A 109 16.237 48.225 -10.780 1.00 24.11 N ATOM 0 H GLN A 109 14.507 45.749 -11.802 1.00 24.14 H new ATOM 0 HA GLN A 109 15.867 44.234 -13.724 1.00 64.43 H new ATOM 0 HB2 GLN A 109 16.601 44.546 -10.793 1.00 10.30 H new ATOM 0 HB3 GLN A 109 17.691 44.267 -12.136 1.00 10.30 H new ATOM 0 HG2 GLN A 109 17.925 46.469 -12.444 1.00 75.23 H new ATOM 0 HG3 GLN A 109 16.204 46.638 -12.728 1.00 75.23 H new ATOM 0 HE21 GLN A 109 15.928 48.592 -11.680 1.00 24.11 H new ATOM 0 HE22 GLN A 109 16.114 48.780 -9.933 1.00 24.11 H new ATOM 1698 N MET A 110 14.648 42.516 -11.197 1.00 71.55 N ATOM 1699 CA MET A 110 14.356 41.167 -10.727 1.00 35.51 C ATOM 1700 C MET A 110 13.560 40.387 -11.770 1.00 5.43 C ATOM 1701 O MET A 110 13.819 39.207 -12.008 1.00 31.35 O ATOM 1702 CB MET A 110 13.578 41.220 -9.411 1.00 34.13 C ATOM 1703 CG MET A 110 13.866 40.048 -8.487 1.00 33.15 C ATOM 1704 SD MET A 110 13.055 38.528 -9.019 1.00 63.21 S ATOM 1705 CE MET A 110 11.615 38.521 -7.954 1.00 63.20 C ATOM 0 H MET A 110 14.244 43.259 -10.626 1.00 71.55 H new ATOM 0 HA MET A 110 15.304 40.654 -10.561 1.00 35.51 H new ATOM 0 HB2 MET A 110 13.819 42.148 -8.893 1.00 34.13 H new ATOM 0 HB3 MET A 110 12.511 41.245 -9.630 1.00 34.13 H new ATOM 0 HG2 MET A 110 14.942 39.883 -8.440 1.00 33.15 H new ATOM 0 HG3 MET A 110 13.537 40.297 -7.478 1.00 33.15 H new ATOM 0 HE1 MET A 110 11.011 37.638 -8.164 1.00 63.20 H new ATOM 0 HE2 MET A 110 11.933 38.503 -6.912 1.00 63.20 H new ATOM 0 HE3 MET A 110 11.023 39.418 -8.137 1.00 63.20 H new ATOM 1715 N LEU A 111 12.593 41.054 -12.389 1.00 13.31 N ATOM 1716 CA LEU A 111 11.759 40.424 -13.407 1.00 22.22 C ATOM 1717 C LEU A 111 12.616 39.820 -14.515 1.00 21.23 C ATOM 1718 O LEU A 111 12.452 38.654 -14.876 1.00 64.11 O ATOM 1719 CB LEU A 111 10.784 41.443 -13.999 1.00 2.13 C ATOM 1720 CG LEU A 111 9.302 41.196 -13.717 1.00 12.24 C ATOM 1721 CD1 LEU A 111 8.444 42.235 -14.422 1.00 71.12 C ATOM 1722 CD2 LEU A 111 8.904 39.792 -14.147 1.00 32.23 C ATOM 0 H LEU A 111 12.367 42.031 -12.204 1.00 13.31 H new ATOM 0 HA LEU A 111 11.193 39.623 -12.932 1.00 22.22 H new ATOM 0 HB2 LEU A 111 11.046 42.430 -13.618 1.00 2.13 H new ATOM 0 HB3 LEU A 111 10.928 41.469 -15.079 1.00 2.13 H new ATOM 0 HG LEU A 111 9.136 41.286 -12.643 1.00 12.24 H new ATOM 0 HD11 LEU A 111 7.392 42.043 -14.210 1.00 71.12 H new ATOM 0 HD12 LEU A 111 8.711 43.230 -14.065 1.00 71.12 H new ATOM 0 HD13 LEU A 111 8.613 42.178 -15.497 1.00 71.12 H new ATOM 0 HD21 LEU A 111 7.846 39.634 -13.939 1.00 32.23 H new ATOM 0 HD22 LEU A 111 9.085 39.674 -15.215 1.00 32.23 H new ATOM 0 HD23 LEU A 111 9.495 39.061 -13.595 1.00 32.23 H new ATOM 1734 N THR A 112 13.533 40.620 -15.050 1.00 12.21 N ATOM 1735 CA THR A 112 14.417 40.165 -16.116 1.00 35.13 C ATOM 1736 C THR A 112 15.114 38.864 -15.734 1.00 1.54 C ATOM 1737 O THR A 112 15.024 37.867 -16.449 1.00 13.21 O ATOM 1738 CB THR A 112 15.481 41.225 -16.454 1.00 4.21 C ATOM 1739 OG1 THR A 112 14.946 42.538 -16.255 1.00 53.32 O ATOM 1740 CG2 THR A 112 15.955 41.077 -17.892 1.00 54.41 C ATOM 0 H THR A 112 13.683 41.587 -14.762 1.00 12.21 H new ATOM 0 HA THR A 112 13.793 39.995 -16.994 1.00 35.13 H new ATOM 0 HB THR A 112 16.333 41.077 -15.790 1.00 4.21 H new ATOM 0 HG1 THR A 112 15.630 43.206 -16.471 1.00 53.32 H new ATOM 0 HG21 THR A 112 16.706 41.837 -18.107 1.00 54.41 H new ATOM 0 HG22 THR A 112 16.389 40.087 -18.032 1.00 54.41 H new ATOM 0 HG23 THR A 112 15.109 41.201 -18.568 1.00 54.41 H new ATOM 1748 N ALA A 113 15.809 38.882 -14.601 1.00 44.01 N ATOM 1749 CA ALA A 113 16.520 37.703 -14.123 1.00 21.32 C ATOM 1750 C ALA A 113 15.579 36.511 -13.990 1.00 34.42 C ATOM 1751 O ALA A 113 15.892 35.407 -14.436 1.00 1.42 O ATOM 1752 CB ALA A 113 17.194 37.997 -12.791 1.00 32.24 C ATOM 0 H ALA A 113 15.895 39.700 -13.998 1.00 44.01 H new ATOM 0 HA ALA A 113 17.285 37.448 -14.856 1.00 21.32 H new ATOM 0 HB1 ALA A 113 17.721 37.108 -12.446 1.00 32.24 H new ATOM 0 HB2 ALA A 113 17.904 38.815 -12.915 1.00 32.24 H new ATOM 0 HB3 ALA A 113 16.440 38.280 -12.056 1.00 32.24 H new ATOM 1758 N ALA A 114 14.424 36.740 -13.373 1.00 0.30 N ATOM 1759 CA ALA A 114 13.437 35.685 -13.183 1.00 15.23 C ATOM 1760 C ALA A 114 12.975 35.118 -14.521 1.00 33.34 C ATOM 1761 O ALA A 114 12.698 33.923 -14.638 1.00 11.54 O ATOM 1762 CB ALA A 114 12.248 36.211 -12.392 1.00 11.32 C ATOM 0 H ALA A 114 14.149 37.647 -12.996 1.00 0.30 H new ATOM 0 HA ALA A 114 13.907 34.879 -12.619 1.00 15.23 H new ATOM 0 HB1 ALA A 114 11.518 35.412 -12.257 1.00 11.32 H new ATOM 0 HB2 ALA A 114 12.586 36.562 -11.417 1.00 11.32 H new ATOM 0 HB3 ALA A 114 11.787 37.036 -12.934 1.00 11.32 H new ATOM 1768 N HIS A 115 12.893 35.981 -15.528 1.00 11.21 N ATOM 1769 CA HIS A 115 12.464 35.565 -16.859 1.00 0.24 C ATOM 1770 C HIS A 115 13.346 34.437 -17.386 1.00 11.33 C ATOM 1771 O HIS A 115 12.864 33.342 -17.674 1.00 14.35 O ATOM 1772 CB HIS A 115 12.501 36.751 -17.823 1.00 63.23 C ATOM 1773 CG HIS A 115 11.221 36.954 -18.573 1.00 34.41 C ATOM 1774 ND1 HIS A 115 10.041 37.324 -17.962 1.00 4.44 N ATOM 1775 CD2 HIS A 115 10.939 36.837 -19.892 1.00 35.24 C ATOM 1776 CE1 HIS A 115 9.089 37.425 -18.872 1.00 1.23 C ATOM 1777 NE2 HIS A 115 9.608 37.135 -20.051 1.00 74.13 N ATOM 0 H HIS A 115 13.118 36.973 -15.448 1.00 11.21 H new ATOM 0 HA HIS A 115 11.440 35.198 -16.786 1.00 0.24 H new ATOM 0 HB2 HIS A 115 12.732 37.657 -17.263 1.00 63.23 H new ATOM 0 HB3 HIS A 115 13.311 36.603 -18.537 1.00 63.23 H new ATOM 0 HD2 HIS A 115 11.632 36.561 -20.673 1.00 35.24 H new ATOM 0 HE1 HIS A 115 8.061 37.698 -18.684 1.00 1.23 H new ATOM 0 HE2 HIS A 115 9.102 37.133 -20.937 1.00 74.13 H new ATOM 1785 N ALA A 116 14.640 34.713 -17.510 1.00 51.31 N ATOM 1786 CA ALA A 116 15.589 33.722 -18.001 1.00 73.32 C ATOM 1787 C ALA A 116 15.540 32.451 -17.160 1.00 11.15 C ATOM 1788 O ALA A 116 15.588 31.340 -17.690 1.00 3.40 O ATOM 1789 CB ALA A 116 16.997 34.298 -18.010 1.00 30.41 C ATOM 0 H ALA A 116 15.055 35.615 -17.277 1.00 51.31 H new ATOM 0 HA ALA A 116 15.309 33.462 -19.022 1.00 73.32 H new ATOM 0 HB1 ALA A 116 17.695 33.547 -18.379 1.00 30.41 H new ATOM 0 HB2 ALA A 116 17.028 35.173 -18.660 1.00 30.41 H new ATOM 0 HB3 ALA A 116 17.278 34.588 -16.998 1.00 30.41 H new ATOM 1795 N LEU A 117 15.445 32.621 -15.845 1.00 74.15 N ATOM 1796 CA LEU A 117 15.390 31.487 -14.929 1.00 71.14 C ATOM 1797 C LEU A 117 14.226 30.564 -15.274 1.00 73.24 C ATOM 1798 O LEU A 117 14.401 29.354 -15.416 1.00 12.02 O ATOM 1799 CB LEU A 117 15.257 31.978 -13.487 1.00 35.53 C ATOM 1800 CG LEU A 117 15.649 30.977 -12.399 1.00 2.54 C ATOM 1801 CD1 LEU A 117 14.634 29.848 -12.320 1.00 52.10 C ATOM 1802 CD2 LEU A 117 17.044 30.426 -12.659 1.00 14.40 C ATOM 0 H LEU A 117 15.405 33.533 -15.390 1.00 74.15 H new ATOM 0 HA LEU A 117 16.318 30.924 -15.031 1.00 71.14 H new ATOM 0 HB2 LEU A 117 15.871 32.871 -13.370 1.00 35.53 H new ATOM 0 HB3 LEU A 117 14.223 32.279 -13.321 1.00 35.53 H new ATOM 0 HG LEU A 117 15.658 31.497 -11.441 1.00 2.54 H new ATOM 0 HD11 LEU A 117 14.930 29.146 -11.540 1.00 52.10 H new ATOM 0 HD12 LEU A 117 13.652 30.258 -12.085 1.00 52.10 H new ATOM 0 HD13 LEU A 117 14.591 29.329 -13.278 1.00 52.10 H new ATOM 0 HD21 LEU A 117 17.306 29.715 -11.875 1.00 14.40 H new ATOM 0 HD22 LEU A 117 17.062 29.923 -13.626 1.00 14.40 H new ATOM 0 HD23 LEU A 117 17.764 31.245 -12.662 1.00 14.40 H new ATOM 1814 N ALA A 118 13.038 31.144 -15.411 1.00 33.25 N ATOM 1815 CA ALA A 118 11.845 30.374 -15.743 1.00 45.14 C ATOM 1816 C ALA A 118 12.085 29.490 -16.963 1.00 3.42 C ATOM 1817 O ALA A 118 11.646 28.341 -17.006 1.00 14.35 O ATOM 1818 CB ALA A 118 10.667 31.305 -15.987 1.00 42.34 C ATOM 0 H ALA A 118 12.876 32.145 -15.297 1.00 33.25 H new ATOM 0 HA ALA A 118 11.613 29.727 -14.897 1.00 45.14 H new ATOM 0 HB1 ALA A 118 9.783 30.717 -16.234 1.00 42.34 H new ATOM 0 HB2 ALA A 118 10.474 31.890 -15.088 1.00 42.34 H new ATOM 0 HB3 ALA A 118 10.899 31.976 -16.814 1.00 42.34 H new ATOM 1824 N VAL A 119 12.785 30.034 -17.954 1.00 11.33 N ATOM 1825 CA VAL A 119 13.083 29.295 -19.174 1.00 65.13 C ATOM 1826 C VAL A 119 13.870 28.025 -18.869 1.00 41.12 C ATOM 1827 O VAL A 119 13.607 26.967 -19.441 1.00 40.11 O ATOM 1828 CB VAL A 119 13.884 30.155 -20.170 1.00 3.01 C ATOM 1829 CG1 VAL A 119 14.308 29.325 -21.372 1.00 40.32 C ATOM 1830 CG2 VAL A 119 13.069 31.363 -20.606 1.00 32.11 C ATOM 0 H VAL A 119 13.156 30.984 -17.935 1.00 11.33 H new ATOM 0 HA VAL A 119 12.127 29.028 -19.623 1.00 65.13 H new ATOM 0 HB VAL A 119 14.784 30.514 -19.671 1.00 3.01 H new ATOM 0 HG11 VAL A 119 14.873 29.949 -22.064 1.00 40.32 H new ATOM 0 HG12 VAL A 119 14.932 28.496 -21.040 1.00 40.32 H new ATOM 0 HG13 VAL A 119 13.423 28.934 -21.875 1.00 40.32 H new ATOM 0 HG21 VAL A 119 13.650 31.959 -21.309 1.00 32.11 H new ATOM 0 HG22 VAL A 119 12.150 31.028 -21.087 1.00 32.11 H new ATOM 0 HG23 VAL A 119 12.822 31.969 -19.734 1.00 32.11 H new ATOM 1840 N ASP A 120 14.836 28.137 -17.964 1.00 50.52 N ATOM 1841 CA ASP A 120 15.661 26.998 -17.581 1.00 20.31 C ATOM 1842 C ASP A 120 14.796 25.840 -17.094 1.00 34.24 C ATOM 1843 O ASP A 120 14.847 24.740 -17.642 1.00 62.44 O ATOM 1844 CB ASP A 120 16.654 27.403 -16.490 1.00 54.21 C ATOM 1845 CG ASP A 120 17.651 28.438 -16.971 1.00 44.31 C ATOM 1846 OD1 ASP A 120 17.882 28.515 -18.196 1.00 12.52 O ATOM 1847 OD2 ASP A 120 18.203 29.171 -16.123 1.00 34.44 O ATOM 0 H ASP A 120 15.067 29.006 -17.482 1.00 50.52 H new ATOM 0 HA ASP A 120 16.214 26.670 -18.461 1.00 20.31 H new ATOM 0 HB2 ASP A 120 16.108 27.799 -15.634 1.00 54.21 H new ATOM 0 HB3 ASP A 120 17.190 26.519 -16.144 1.00 54.21 H new ATOM 1852 N ALA A 121 14.002 26.096 -16.059 1.00 33.31 N ATOM 1853 CA ALA A 121 13.125 25.075 -15.498 1.00 53.43 C ATOM 1854 C ALA A 121 12.281 24.419 -16.586 1.00 31.03 C ATOM 1855 O ALA A 121 11.925 23.244 -16.486 1.00 43.42 O ATOM 1856 CB ALA A 121 12.230 25.680 -14.426 1.00 61.40 C ATOM 0 H ALA A 121 13.948 27.001 -15.592 1.00 33.31 H new ATOM 0 HA ALA A 121 13.748 24.305 -15.044 1.00 53.43 H new ATOM 0 HB1 ALA A 121 11.580 24.907 -14.016 1.00 61.40 H new ATOM 0 HB2 ALA A 121 12.847 26.096 -13.629 1.00 61.40 H new ATOM 0 HB3 ALA A 121 11.621 26.471 -14.864 1.00 61.40 H new ATOM 1862 N LYS A 122 11.963 25.185 -17.624 1.00 35.40 N ATOM 1863 CA LYS A 122 11.161 24.678 -18.731 1.00 54.03 C ATOM 1864 C LYS A 122 11.985 23.755 -19.622 1.00 62.45 C ATOM 1865 O LYS A 122 11.521 22.690 -20.027 1.00 32.55 O ATOM 1866 CB LYS A 122 10.604 25.839 -19.558 1.00 44.43 C ATOM 1867 CG LYS A 122 9.738 25.396 -20.724 1.00 72.31 C ATOM 1868 CD LYS A 122 8.427 24.794 -20.247 1.00 54.10 C ATOM 1869 CE LYS A 122 7.744 24.000 -21.350 1.00 54.20 C ATOM 1870 NZ LYS A 122 7.188 24.887 -22.409 1.00 52.22 N ATOM 0 H LYS A 122 12.248 26.159 -17.722 1.00 35.40 H new ATOM 0 HA LYS A 122 10.332 24.106 -18.314 1.00 54.03 H new ATOM 0 HB2 LYS A 122 10.018 26.489 -18.908 1.00 44.43 H new ATOM 0 HB3 LYS A 122 11.434 26.434 -19.939 1.00 44.43 H new ATOM 0 HG2 LYS A 122 9.534 26.249 -21.371 1.00 72.31 H new ATOM 0 HG3 LYS A 122 10.279 24.664 -21.323 1.00 72.31 H new ATOM 0 HD2 LYS A 122 8.614 24.144 -19.392 1.00 54.10 H new ATOM 0 HD3 LYS A 122 7.764 25.589 -19.905 1.00 54.10 H new ATOM 0 HE2 LYS A 122 8.459 23.307 -21.795 1.00 54.20 H new ATOM 0 HE3 LYS A 122 6.942 23.399 -20.922 1.00 54.20 H new ATOM 0 HZ1 LYS A 122 6.731 24.308 -23.142 1.00 52.22 H new ATOM 0 HZ2 LYS A 122 6.487 25.531 -21.990 1.00 52.22 H new ATOM 0 HZ3 LYS A 122 7.957 25.442 -22.836 1.00 52.22 H new ATOM 1884 N ASN A 123 13.211 24.170 -19.924 1.00 2.03 N ATOM 1885 CA ASN A 123 14.101 23.379 -20.766 1.00 53.13 C ATOM 1886 C ASN A 123 14.390 22.023 -20.130 1.00 1.14 C ATOM 1887 O ASN A 123 14.830 21.090 -20.803 1.00 2.13 O ATOM 1888 CB ASN A 123 15.411 24.131 -21.008 1.00 52.51 C ATOM 1889 CG ASN A 123 15.784 24.186 -22.477 1.00 73.21 C ATOM 1890 OD1 ASN A 123 14.933 24.416 -23.337 1.00 21.22 O ATOM 1891 ND2 ASN A 123 17.061 23.973 -22.771 1.00 41.33 N ATOM 0 H ASN A 123 13.611 25.050 -19.598 1.00 2.03 H new ATOM 0 HA ASN A 123 13.603 23.213 -21.721 1.00 53.13 H new ATOM 0 HB2 ASN A 123 15.321 25.146 -20.621 1.00 52.51 H new ATOM 0 HB3 ASN A 123 16.213 23.647 -20.450 1.00 52.51 H new ATOM 0 HD21 ASN A 123 17.371 23.996 -23.742 1.00 41.33 H new ATOM 0 HD22 ASN A 123 17.732 23.786 -22.026 1.00 41.33 H new ATOM 1898 N LEU A 124 14.139 21.921 -18.829 1.00 45.01 N ATOM 1899 CA LEU A 124 14.372 20.679 -18.100 1.00 61.23 C ATOM 1900 C LEU A 124 13.724 19.498 -18.816 1.00 51.11 C ATOM 1901 O LEU A 124 14.411 18.659 -19.400 1.00 21.33 O ATOM 1902 CB LEU A 124 13.824 20.790 -16.676 1.00 65.33 C ATOM 1903 CG LEU A 124 14.534 21.787 -15.760 1.00 42.11 C ATOM 1904 CD1 LEU A 124 13.954 21.728 -14.356 1.00 10.14 C ATOM 1905 CD2 LEU A 124 16.031 21.514 -15.733 1.00 1.34 C ATOM 0 H LEU A 124 13.774 22.683 -18.258 1.00 45.01 H new ATOM 0 HA LEU A 124 15.448 20.508 -18.056 1.00 61.23 H new ATOM 0 HB2 LEU A 124 12.771 21.066 -16.734 1.00 65.33 H new ATOM 0 HB3 LEU A 124 13.870 19.805 -16.212 1.00 65.33 H new ATOM 0 HG LEU A 124 14.375 22.791 -16.155 1.00 42.11 H new ATOM 0 HD11 LEU A 124 14.472 22.444 -13.718 1.00 10.14 H new ATOM 0 HD12 LEU A 124 12.893 21.973 -14.390 1.00 10.14 H new ATOM 0 HD13 LEU A 124 14.081 20.724 -13.952 1.00 10.14 H new ATOM 0 HD21 LEU A 124 16.520 22.233 -15.076 1.00 1.34 H new ATOM 0 HD22 LEU A 124 16.210 20.504 -15.363 1.00 1.34 H new ATOM 0 HD23 LEU A 124 16.436 21.609 -16.740 1.00 1.34 H new ATOM 1917 N LEU A 125 12.398 19.440 -18.769 1.00 54.32 N ATOM 1918 CA LEU A 125 11.655 18.363 -19.415 1.00 44.33 C ATOM 1919 C LEU A 125 11.682 18.518 -20.933 1.00 21.54 C ATOM 1920 O LEU A 125 11.593 17.534 -21.668 1.00 55.31 O ATOM 1921 CB LEU A 125 10.209 18.345 -18.919 1.00 33.14 C ATOM 1922 CG LEU A 125 9.701 17.007 -18.379 1.00 4.34 C ATOM 1923 CD1 LEU A 125 9.408 17.109 -16.890 1.00 3.22 C ATOM 1924 CD2 LEU A 125 8.461 16.561 -19.139 1.00 1.10 C ATOM 0 H LEU A 125 11.815 20.126 -18.290 1.00 54.32 H new ATOM 0 HA LEU A 125 12.133 17.418 -19.155 1.00 44.33 H new ATOM 0 HB2 LEU A 125 10.106 19.094 -18.133 1.00 33.14 H new ATOM 0 HB3 LEU A 125 9.561 18.653 -19.739 1.00 33.14 H new ATOM 0 HG LEU A 125 10.480 16.259 -18.525 1.00 4.34 H new ATOM 0 HD11 LEU A 125 9.048 16.148 -16.523 1.00 3.22 H new ATOM 0 HD12 LEU A 125 10.319 17.382 -16.358 1.00 3.22 H new ATOM 0 HD13 LEU A 125 8.647 17.871 -16.720 1.00 3.22 H new ATOM 0 HD21 LEU A 125 8.114 15.607 -18.741 1.00 1.10 H new ATOM 0 HD22 LEU A 125 7.676 17.309 -19.026 1.00 1.10 H new ATOM 0 HD23 LEU A 125 8.703 16.447 -20.196 1.00 1.10 H new ATOM 1936 N ASP A 126 11.808 19.757 -21.394 1.00 31.12 N ATOM 1937 CA ASP A 126 11.850 20.040 -22.824 1.00 21.02 C ATOM 1938 C ASP A 126 12.999 19.291 -23.492 1.00 52.23 C ATOM 1939 O ASP A 126 12.835 18.715 -24.568 1.00 24.53 O ATOM 1940 CB ASP A 126 11.997 21.543 -23.064 1.00 11.44 C ATOM 1941 CG ASP A 126 11.384 21.982 -24.379 1.00 0.40 C ATOM 1942 OD1 ASP A 126 10.786 21.130 -25.068 1.00 13.11 O ATOM 1943 OD2 ASP A 126 11.503 23.178 -24.720 1.00 4.12 O ATOM 0 H ASP A 126 11.883 20.582 -20.798 1.00 31.12 H new ATOM 0 HA ASP A 126 10.913 19.700 -23.265 1.00 21.02 H new ATOM 0 HB2 ASP A 126 11.523 22.087 -22.246 1.00 11.44 H new ATOM 0 HB3 ASP A 126 13.054 21.808 -23.053 1.00 11.44 H new ATOM 1948 N VAL A 127 14.162 19.305 -22.849 1.00 12.14 N ATOM 1949 CA VAL A 127 15.338 18.628 -23.381 1.00 21.55 C ATOM 1950 C VAL A 127 15.209 17.115 -23.244 1.00 65.51 C ATOM 1951 O VAL A 127 15.219 16.389 -24.239 1.00 24.43 O ATOM 1952 CB VAL A 127 16.622 19.089 -22.666 1.00 64.14 C ATOM 1953 CG1 VAL A 127 17.828 18.320 -23.185 1.00 72.04 C ATOM 1954 CG2 VAL A 127 16.820 20.587 -22.841 1.00 52.13 C ATOM 0 H VAL A 127 14.315 19.778 -21.958 1.00 12.14 H new ATOM 0 HA VAL A 127 15.404 18.891 -24.437 1.00 21.55 H new ATOM 0 HB VAL A 127 16.519 18.881 -21.601 1.00 64.14 H new ATOM 0 HG11 VAL A 127 18.726 18.659 -22.668 1.00 72.04 H new ATOM 0 HG12 VAL A 127 17.686 17.255 -23.004 1.00 72.04 H new ATOM 0 HG13 VAL A 127 17.938 18.494 -24.255 1.00 72.04 H new ATOM 0 HG21 VAL A 127 17.732 20.896 -22.330 1.00 52.13 H new ATOM 0 HG22 VAL A 127 16.902 20.822 -23.902 1.00 52.13 H new ATOM 0 HG23 VAL A 127 15.968 21.119 -22.417 1.00 52.13 H new ATOM 1964 N ILE A 128 15.088 16.646 -22.007 1.00 22.23 N ATOM 1965 CA ILE A 128 14.956 15.219 -21.740 1.00 72.15 C ATOM 1966 C ILE A 128 13.845 14.603 -22.584 1.00 70.03 C ATOM 1967 O ILE A 128 13.881 13.415 -22.905 1.00 31.24 O ATOM 1968 CB ILE A 128 14.665 14.948 -20.252 1.00 52.55 C ATOM 1969 CG1 ILE A 128 15.028 13.506 -19.893 1.00 52.23 C ATOM 1970 CG2 ILE A 128 13.202 15.226 -19.940 1.00 71.21 C ATOM 1971 CD1 ILE A 128 15.431 13.327 -18.446 1.00 74.13 C ATOM 0 H ILE A 128 15.079 17.234 -21.173 1.00 22.23 H new ATOM 0 HA ILE A 128 15.908 14.759 -22.004 1.00 72.15 H new ATOM 0 HB ILE A 128 15.278 15.617 -19.649 1.00 52.55 H new ATOM 0 HG12 ILE A 128 14.176 12.861 -20.107 1.00 52.23 H new ATOM 0 HG13 ILE A 128 15.846 13.176 -20.533 1.00 52.23 H new ATOM 0 HG21 ILE A 128 13.011 15.030 -18.885 1.00 71.21 H new ATOM 0 HG22 ILE A 128 12.974 16.268 -20.162 1.00 71.21 H new ATOM 0 HG23 ILE A 128 12.571 14.579 -20.549 1.00 71.21 H new ATOM 0 HD11 ILE A 128 15.675 12.280 -18.263 1.00 74.13 H new ATOM 0 HD12 ILE A 128 16.303 13.945 -18.232 1.00 74.13 H new ATOM 0 HD13 ILE A 128 14.606 13.626 -17.799 1.00 74.13 H new ATOM 1983 N ASP A 129 12.860 15.419 -22.943 1.00 2.34 N ATOM 1984 CA ASP A 129 11.739 14.956 -23.752 1.00 64.14 C ATOM 1985 C ASP A 129 12.231 14.332 -25.055 1.00 2.22 C ATOM 1986 O ASP A 129 11.617 13.403 -25.579 1.00 43.41 O ATOM 1987 CB ASP A 129 10.788 16.114 -24.055 1.00 14.42 C ATOM 1988 CG ASP A 129 9.764 15.761 -25.116 1.00 21.01 C ATOM 1989 OD1 ASP A 129 8.874 14.933 -24.830 1.00 13.15 O ATOM 1990 OD2 ASP A 129 9.853 16.313 -26.232 1.00 71.24 O ATOM 0 H ASP A 129 12.815 16.405 -22.686 1.00 2.34 H new ATOM 0 HA ASP A 129 11.203 14.195 -23.184 1.00 64.14 H new ATOM 0 HB2 ASP A 129 10.273 16.406 -23.140 1.00 14.42 H new ATOM 0 HB3 ASP A 129 11.366 16.978 -24.385 1.00 14.42 H new ATOM 1995 N GLN A 130 13.341 14.850 -25.571 1.00 10.20 N ATOM 1996 CA GLN A 130 13.913 14.345 -26.813 1.00 65.31 C ATOM 1997 C GLN A 130 14.461 12.934 -26.626 1.00 33.54 C ATOM 1998 O GLN A 130 14.565 12.166 -27.582 1.00 21.35 O ATOM 1999 CB GLN A 130 15.025 15.275 -27.303 1.00 31.43 C ATOM 2000 CG GLN A 130 14.514 16.477 -28.080 1.00 71.45 C ATOM 2001 CD GLN A 130 15.538 17.590 -28.174 1.00 5.04 C ATOM 2002 OE1 GLN A 130 16.185 17.769 -29.206 1.00 3.41 O ATOM 2003 NE2 GLN A 130 15.692 18.346 -27.093 1.00 32.35 N ATOM 0 H GLN A 130 13.862 15.619 -25.148 1.00 10.20 H new ATOM 0 HA GLN A 130 13.121 14.312 -27.561 1.00 65.31 H new ATOM 0 HB2 GLN A 130 15.599 15.625 -26.445 1.00 31.43 H new ATOM 0 HB3 GLN A 130 15.709 14.708 -27.935 1.00 31.43 H new ATOM 0 HG2 GLN A 130 14.232 16.162 -29.085 1.00 71.45 H new ATOM 0 HG3 GLN A 130 13.612 16.858 -27.601 1.00 71.45 H new ATOM 0 HE21 GLN A 130 15.135 18.162 -26.259 1.00 32.35 H new ATOM 0 HE22 GLN A 130 16.368 19.110 -27.097 1.00 32.35 H new ATOM 2012 N ALA A 131 14.809 12.599 -25.387 1.00 61.04 N ATOM 2013 CA ALA A 131 15.344 11.280 -25.074 1.00 62.25 C ATOM 2014 C ALA A 131 14.244 10.224 -25.089 1.00 22.32 C ATOM 2015 O ALA A 131 14.335 9.229 -25.809 1.00 10.22 O ATOM 2016 CB ALA A 131 16.041 11.300 -23.722 1.00 43.22 C ATOM 0 H ALA A 131 14.730 13.223 -24.584 1.00 61.04 H new ATOM 0 HA ALA A 131 16.073 11.019 -25.842 1.00 62.25 H new ATOM 0 HB1 ALA A 131 16.436 10.308 -23.501 1.00 43.22 H new ATOM 0 HB2 ALA A 131 16.860 12.019 -23.745 1.00 43.22 H new ATOM 0 HB3 ALA A 131 15.328 11.587 -22.949 1.00 43.22 H new ATOM 2022 N ARG A 132 13.206 10.446 -24.289 1.00 25.11 N ATOM 2023 CA ARG A 132 12.090 9.512 -24.209 1.00 31.13 C ATOM 2024 C ARG A 132 11.529 9.214 -25.596 1.00 43.33 C ATOM 2025 O ARG A 132 11.220 8.067 -25.920 1.00 21.33 O ATOM 2026 CB ARG A 132 10.987 10.078 -23.312 1.00 42.00 C ATOM 2027 CG ARG A 132 10.553 11.484 -23.694 1.00 62.41 C ATOM 2028 CD ARG A 132 9.501 12.021 -22.737 1.00 1.42 C ATOM 2029 NE ARG A 132 8.277 11.225 -22.765 1.00 25.44 N ATOM 2030 CZ ARG A 132 7.378 11.294 -23.739 1.00 74.42 C ATOM 2031 NH1 ARG A 132 7.564 12.118 -24.761 1.00 13.13 N ATOM 2032 NH2 ARG A 132 6.289 10.536 -23.694 1.00 11.34 N ATOM 0 H ARG A 132 13.115 11.265 -23.687 1.00 25.11 H new ATOM 0 HA ARG A 132 12.459 8.581 -23.778 1.00 31.13 H new ATOM 0 HB2 ARG A 132 10.122 9.416 -23.353 1.00 42.00 H new ATOM 0 HB3 ARG A 132 11.337 10.083 -22.280 1.00 42.00 H new ATOM 0 HG2 ARG A 132 11.419 12.146 -23.693 1.00 62.41 H new ATOM 0 HG3 ARG A 132 10.155 11.480 -24.709 1.00 62.41 H new ATOM 0 HD2 ARG A 132 9.904 12.031 -21.724 1.00 1.42 H new ATOM 0 HD3 ARG A 132 9.268 13.053 -22.997 1.00 1.42 H new ATOM 0 HE ARG A 132 8.103 10.581 -21.994 1.00 25.44 H new ATOM 0 HH11 ARG A 132 8.400 12.701 -24.800 1.00 13.13 H new ATOM 0 HH12 ARG A 132 6.871 12.169 -25.508 1.00 13.13 H new ATOM 0 HH21 ARG A 132 6.143 9.900 -22.910 1.00 11.34 H new ATOM 0 HH22 ARG A 132 5.599 10.590 -24.443 1.00 11.34 H new ATOM 2046 N LEU A 133 11.400 10.255 -26.412 1.00 62.30 N ATOM 2047 CA LEU A 133 10.876 10.106 -27.765 1.00 63.53 C ATOM 2048 C LEU A 133 11.902 9.438 -28.676 1.00 32.32 C ATOM 2049 O LEU A 133 11.548 8.663 -29.565 1.00 31.35 O ATOM 2050 CB LEU A 133 10.484 11.470 -28.335 1.00 31.03 C ATOM 2051 CG LEU A 133 8.987 11.707 -28.539 1.00 61.31 C ATOM 2052 CD1 LEU A 133 8.688 13.196 -28.618 1.00 20.33 C ATOM 2053 CD2 LEU A 133 8.501 10.996 -29.794 1.00 42.31 C ATOM 0 H LEU A 133 11.651 11.211 -26.160 1.00 62.30 H new ATOM 0 HA LEU A 133 9.991 9.471 -27.717 1.00 63.53 H new ATOM 0 HB2 LEU A 133 10.866 12.243 -27.669 1.00 31.03 H new ATOM 0 HB3 LEU A 133 10.986 11.599 -29.294 1.00 31.03 H new ATOM 0 HG LEU A 133 8.453 11.295 -27.682 1.00 61.31 H new ATOM 0 HD11 LEU A 133 7.618 13.345 -28.763 1.00 20.33 H new ATOM 0 HD12 LEU A 133 8.999 13.679 -27.692 1.00 20.33 H new ATOM 0 HD13 LEU A 133 9.232 13.632 -29.456 1.00 20.33 H new ATOM 0 HD21 LEU A 133 7.434 11.175 -29.924 1.00 42.31 H new ATOM 0 HD22 LEU A 133 9.041 11.378 -30.661 1.00 42.31 H new ATOM 0 HD23 LEU A 133 8.680 9.925 -29.698 1.00 42.31 H new ATOM 2065 N LYS A 134 13.175 9.742 -28.447 1.00 71.32 N ATOM 2066 CA LYS A 134 14.254 9.169 -29.244 1.00 34.04 C ATOM 2067 C LYS A 134 14.215 7.645 -29.197 1.00 34.23 C ATOM 2068 O LYS A 134 14.629 6.975 -30.142 1.00 74.22 O ATOM 2069 CB LYS A 134 15.609 9.671 -28.740 1.00 71.31 C ATOM 2070 CG LYS A 134 16.793 8.948 -29.359 1.00 1.23 C ATOM 2071 CD LYS A 134 17.940 9.903 -29.648 1.00 34.43 C ATOM 2072 CE LYS A 134 17.581 10.887 -30.750 1.00 51.12 C ATOM 2073 NZ LYS A 134 18.105 10.452 -32.074 1.00 51.04 N ATOM 0 H LYS A 134 13.485 10.382 -27.716 1.00 71.32 H new ATOM 0 HA LYS A 134 14.117 9.486 -30.278 1.00 34.04 H new ATOM 0 HB2 LYS A 134 15.694 10.737 -28.951 1.00 71.31 H new ATOM 0 HB3 LYS A 134 15.650 9.556 -27.657 1.00 71.31 H new ATOM 0 HG2 LYS A 134 17.134 8.162 -28.685 1.00 1.23 H new ATOM 0 HG3 LYS A 134 16.481 8.462 -30.283 1.00 1.23 H new ATOM 0 HD2 LYS A 134 18.198 10.449 -28.741 1.00 34.43 H new ATOM 0 HD3 LYS A 134 18.823 9.335 -29.940 1.00 34.43 H new ATOM 0 HE2 LYS A 134 16.497 10.991 -30.805 1.00 51.12 H new ATOM 0 HE3 LYS A 134 17.984 11.870 -30.505 1.00 51.12 H new ATOM 0 HZ1 LYS A 134 17.839 11.149 -32.799 1.00 51.04 H new ATOM 0 HZ2 LYS A 134 19.141 10.377 -32.029 1.00 51.04 H new ATOM 0 HZ3 LYS A 134 17.701 9.526 -32.320 1.00 51.04 H new ATOM 2087 N MET A 135 13.713 7.104 -28.091 1.00 41.11 N ATOM 2088 CA MET A 135 13.618 5.659 -27.923 1.00 72.42 C ATOM 2089 C MET A 135 12.312 5.129 -28.506 1.00 74.42 C ATOM 2090 O MET A 135 12.317 4.243 -29.362 1.00 25.13 O ATOM 2091 CB MET A 135 13.716 5.288 -26.442 1.00 42.11 C ATOM 2092 CG MET A 135 13.409 3.826 -26.160 1.00 4.33 C ATOM 2093 SD MET A 135 13.951 3.307 -24.520 1.00 44.12 S ATOM 2094 CE MET A 135 13.010 4.423 -23.483 1.00 54.01 C ATOM 0 H MET A 135 13.366 7.645 -27.299 1.00 41.11 H new ATOM 0 HA MET A 135 14.448 5.201 -28.460 1.00 72.42 H new ATOM 0 HB2 MET A 135 14.720 5.515 -26.085 1.00 42.11 H new ATOM 0 HB3 MET A 135 13.026 5.912 -25.873 1.00 42.11 H new ATOM 0 HG2 MET A 135 12.336 3.659 -26.254 1.00 4.33 H new ATOM 0 HG3 MET A 135 13.895 3.205 -26.913 1.00 4.33 H new ATOM 0 HE1 MET A 135 13.112 4.124 -22.440 1.00 54.01 H new ATOM 0 HE2 MET A 135 13.385 5.439 -23.607 1.00 54.01 H new ATOM 0 HE3 MET A 135 11.959 4.387 -23.770 1.00 54.01 H new ATOM 2104 N ILE A 136 11.195 5.675 -28.038 1.00 11.41 N ATOM 2105 CA ILE A 136 9.882 5.257 -28.514 1.00 42.50 C ATOM 2106 C ILE A 136 9.793 5.352 -30.033 1.00 53.33 C ATOM 2107 O ILE A 136 9.531 4.360 -30.713 1.00 64.02 O ATOM 2108 CB ILE A 136 8.760 6.109 -27.891 1.00 21.52 C ATOM 2109 CG1 ILE A 136 8.809 6.017 -26.364 1.00 51.32 C ATOM 2110 CG2 ILE A 136 7.403 5.658 -28.411 1.00 10.24 C ATOM 2111 CD1 ILE A 136 7.955 7.055 -25.669 1.00 64.12 C ATOM 0 H ILE A 136 11.173 6.408 -27.329 1.00 11.41 H new ATOM 0 HA ILE A 136 9.751 4.219 -28.209 1.00 42.50 H new ATOM 0 HB ILE A 136 8.910 7.150 -28.179 1.00 21.52 H new ATOM 0 HG12 ILE A 136 8.481 5.024 -26.057 1.00 51.32 H new ATOM 0 HG13 ILE A 136 9.842 6.128 -26.034 1.00 51.32 H new ATOM 0 HG21 ILE A 136 6.620 6.269 -27.962 1.00 10.24 H new ATOM 0 HG22 ILE A 136 7.373 5.769 -29.495 1.00 10.24 H new ATOM 0 HG23 ILE A 136 7.242 4.612 -28.149 1.00 10.24 H new ATOM 0 HD11 ILE A 136 8.038 6.931 -24.589 1.00 64.12 H new ATOM 0 HD12 ILE A 136 8.296 8.052 -25.947 1.00 64.12 H new ATOM 0 HD13 ILE A 136 6.915 6.931 -25.970 1.00 64.12 H new ATOM 2123 N SER A 137 10.013 6.553 -30.560 1.00 21.31 N ATOM 2124 CA SER A 137 9.956 6.778 -31.999 1.00 55.34 C ATOM 2125 C SER A 137 11.217 6.257 -32.682 1.00 14.02 C ATOM 2126 O SER A 137 12.011 7.031 -33.215 1.00 51.11 O ATOM 2127 CB SER A 137 9.780 8.269 -32.297 1.00 30.32 C ATOM 2128 OG SER A 137 8.409 8.628 -32.311 1.00 22.11 O ATOM 0 H SER A 137 10.232 7.385 -30.011 1.00 21.31 H new ATOM 0 HA SER A 137 9.099 6.232 -32.393 1.00 55.34 H new ATOM 0 HB2 SER A 137 10.306 8.858 -31.545 1.00 30.32 H new ATOM 0 HB3 SER A 137 10.231 8.506 -33.260 1.00 30.32 H new ATOM 0 HG SER A 137 8.323 9.585 -32.502 1.00 22.11 H new ATOM 2228 N ALA A 170 25.353 22.124 -0.805 1.00 51.33 N ATOM 2229 CA ALA A 170 24.259 22.777 -1.514 1.00 32.31 C ATOM 2230 C ALA A 170 23.020 22.883 -0.632 1.00 14.23 C ATOM 2231 O ALA A 170 22.485 23.973 -0.422 1.00 22.31 O ATOM 2232 CB ALA A 170 23.934 22.021 -2.794 1.00 44.11 C ATOM 0 HA ALA A 170 24.577 23.787 -1.772 1.00 32.31 H new ATOM 0 HB1 ALA A 170 23.115 22.520 -3.313 1.00 44.11 H new ATOM 0 HB2 ALA A 170 24.813 22.001 -3.438 1.00 44.11 H new ATOM 0 HB3 ALA A 170 23.640 21.000 -2.549 1.00 44.11 H new ATOM 2238 N THR A 171 22.565 21.745 -0.117 1.00 24.40 N ATOM 2239 CA THR A 171 21.388 21.710 0.741 1.00 31.30 C ATOM 2240 C THR A 171 21.516 22.702 1.891 1.00 54.53 C ATOM 2241 O THR A 171 20.518 23.231 2.381 1.00 75.03 O ATOM 2242 CB THR A 171 21.155 20.301 1.318 1.00 73.30 C ATOM 2243 OG1 THR A 171 22.283 19.464 1.040 1.00 44.42 O ATOM 2244 CG2 THR A 171 19.898 19.677 0.731 1.00 72.42 C ATOM 0 H THR A 171 22.995 20.834 -0.280 1.00 24.40 H new ATOM 0 HA THR A 171 20.536 21.986 0.120 1.00 31.30 H new ATOM 0 HB THR A 171 21.028 20.391 2.397 1.00 73.30 H new ATOM 0 HG1 THR A 171 22.127 18.571 1.412 1.00 44.42 H new ATOM 0 HG21 THR A 171 19.754 18.682 1.153 1.00 72.42 H new ATOM 0 HG22 THR A 171 19.037 20.301 0.970 1.00 72.42 H new ATOM 0 HG23 THR A 171 20.001 19.600 -0.351 1.00 72.42 H new ATOM 2252 N ARG A 172 22.750 22.952 2.316 1.00 14.24 N ATOM 2253 CA ARG A 172 23.007 23.882 3.409 1.00 22.15 C ATOM 2254 C ARG A 172 22.454 25.267 3.087 1.00 60.10 C ATOM 2255 O ARG A 172 21.708 25.846 3.875 1.00 12.14 O ATOM 2256 CB ARG A 172 24.509 23.973 3.687 1.00 71.32 C ATOM 2257 CG ARG A 172 25.026 22.878 4.606 1.00 12.22 C ATOM 2258 CD ARG A 172 24.628 23.131 6.052 1.00 44.40 C ATOM 2259 NE ARG A 172 24.014 21.957 6.665 1.00 71.45 N ATOM 2260 CZ ARG A 172 23.442 21.967 7.863 1.00 0.24 C ATOM 2261 NH1 ARG A 172 23.406 23.086 8.574 1.00 30.35 N ATOM 2262 NH2 ARG A 172 22.904 20.857 8.353 1.00 1.51 N ATOM 0 H ARG A 172 23.587 22.524 1.920 1.00 14.24 H new ATOM 0 HA ARG A 172 22.501 23.506 4.298 1.00 22.15 H new ATOM 0 HB2 ARG A 172 25.048 23.926 2.741 1.00 71.32 H new ATOM 0 HB3 ARG A 172 24.729 24.943 4.132 1.00 71.32 H new ATOM 0 HG2 ARG A 172 24.633 21.914 4.283 1.00 12.22 H new ATOM 0 HG3 ARG A 172 26.112 22.821 4.531 1.00 12.22 H new ATOM 0 HD2 ARG A 172 25.509 23.420 6.625 1.00 44.40 H new ATOM 0 HD3 ARG A 172 23.931 23.968 6.095 1.00 44.40 H new ATOM 0 HE ARG A 172 24.025 21.080 6.144 1.00 71.45 H new ATOM 0 HH11 ARG A 172 23.818 23.941 8.201 1.00 30.35 H new ATOM 0 HH12 ARG A 172 22.966 23.092 9.494 1.00 30.35 H new ATOM 0 HH21 ARG A 172 22.930 19.995 7.809 1.00 1.51 H new ATOM 0 HH22 ARG A 172 22.465 20.866 9.274 1.00 1.51 H new ATOM 2276 N GLU A 173 22.826 25.791 1.923 1.00 2.03 N ATOM 2277 CA GLU A 173 22.368 27.108 1.498 1.00 11.42 C ATOM 2278 C GLU A 173 20.846 27.146 1.389 1.00 63.03 C ATOM 2279 O GLU A 173 20.195 28.034 1.939 1.00 15.34 O ATOM 2280 CB GLU A 173 22.996 27.482 0.154 1.00 3.31 C ATOM 2281 CG GLU A 173 24.277 28.289 0.284 1.00 25.45 C ATOM 2282 CD GLU A 173 24.092 29.744 -0.097 1.00 40.44 C ATOM 2283 OE1 GLU A 173 23.989 30.032 -1.308 1.00 12.31 O ATOM 2284 OE2 GLU A 173 24.050 30.596 0.816 1.00 71.35 O ATOM 0 H GLU A 173 23.443 25.324 1.258 1.00 2.03 H new ATOM 0 HA GLU A 173 22.679 27.833 2.250 1.00 11.42 H new ATOM 0 HB2 GLU A 173 23.206 26.570 -0.405 1.00 3.31 H new ATOM 0 HB3 GLU A 173 22.274 28.054 -0.428 1.00 3.31 H new ATOM 0 HG2 GLU A 173 24.637 28.229 1.311 1.00 25.45 H new ATOM 0 HG3 GLU A 173 25.046 27.847 -0.349 1.00 25.45 H new ATOM 2291 N LEU A 174 20.287 26.176 0.674 1.00 54.21 N ATOM 2292 CA LEU A 174 18.841 26.097 0.491 1.00 45.32 C ATOM 2293 C LEU A 174 18.119 26.136 1.834 1.00 44.32 C ATOM 2294 O LEU A 174 17.118 26.835 1.991 1.00 0.04 O ATOM 2295 CB LEU A 174 18.472 24.818 -0.263 1.00 2.33 C ATOM 2296 CG LEU A 174 18.951 24.731 -1.712 1.00 41.22 C ATOM 2297 CD1 LEU A 174 19.555 23.364 -1.994 1.00 1.23 C ATOM 2298 CD2 LEU A 174 17.804 25.017 -2.671 1.00 4.21 C ATOM 0 H LEU A 174 20.812 25.434 0.212 1.00 54.21 H new ATOM 0 HA LEU A 174 18.526 26.961 -0.095 1.00 45.32 H new ATOM 0 HB2 LEU A 174 18.878 23.967 0.284 1.00 2.33 H new ATOM 0 HB3 LEU A 174 17.387 24.715 -0.253 1.00 2.33 H new ATOM 0 HG LEU A 174 19.723 25.485 -1.865 1.00 41.22 H new ATOM 0 HD11 LEU A 174 19.890 23.321 -3.030 1.00 1.23 H new ATOM 0 HD12 LEU A 174 20.404 23.197 -1.331 1.00 1.23 H new ATOM 0 HD13 LEU A 174 18.804 22.592 -1.823 1.00 1.23 H new ATOM 0 HD21 LEU A 174 18.163 24.951 -3.698 1.00 4.21 H new ATOM 0 HD22 LEU A 174 17.010 24.287 -2.517 1.00 4.21 H new ATOM 0 HD23 LEU A 174 17.416 26.019 -2.486 1.00 4.21 H new ATOM 2310 N ASP A 175 18.635 25.383 2.799 1.00 44.50 N ATOM 2311 CA ASP A 175 18.042 25.334 4.130 1.00 10.32 C ATOM 2312 C ASP A 175 18.245 26.656 4.865 1.00 70.22 C ATOM 2313 O ASP A 175 17.314 27.193 5.463 1.00 14.11 O ATOM 2314 CB ASP A 175 18.649 24.188 4.940 1.00 32.24 C ATOM 2315 CG ASP A 175 17.603 23.409 5.714 1.00 3.03 C ATOM 2316 OD1 ASP A 175 16.589 24.016 6.116 1.00 74.14 O ATOM 2317 OD2 ASP A 175 17.800 22.193 5.920 1.00 63.25 O ATOM 0 H ASP A 175 19.463 24.798 2.684 1.00 44.50 H new ATOM 0 HA ASP A 175 16.972 25.162 4.018 1.00 10.32 H new ATOM 0 HB2 ASP A 175 19.178 23.512 4.268 1.00 32.24 H new ATOM 0 HB3 ASP A 175 19.387 24.589 5.635 1.00 32.24 H new ATOM 2322 N GLU A 176 19.469 27.173 4.815 1.00 33.21 N ATOM 2323 CA GLU A 176 19.793 28.430 5.478 1.00 43.51 C ATOM 2324 C GLU A 176 18.869 29.549 5.006 1.00 75.21 C ATOM 2325 O GLU A 176 18.190 30.189 5.810 1.00 55.33 O ATOM 2326 CB GLU A 176 21.251 28.812 5.211 1.00 52.14 C ATOM 2327 CG GLU A 176 21.979 29.331 6.439 1.00 23.20 C ATOM 2328 CD GLU A 176 23.477 29.435 6.228 1.00 24.54 C ATOM 2329 OE1 GLU A 176 24.036 28.584 5.504 1.00 55.40 O ATOM 2330 OE2 GLU A 176 24.091 30.367 6.788 1.00 24.14 O ATOM 0 H GLU A 176 20.251 26.741 4.323 1.00 33.21 H new ATOM 0 HA GLU A 176 19.651 28.292 6.550 1.00 43.51 H new ATOM 0 HB2 GLU A 176 21.781 27.941 4.826 1.00 52.14 H new ATOM 0 HB3 GLU A 176 21.281 29.574 4.432 1.00 52.14 H new ATOM 0 HG2 GLU A 176 21.584 30.312 6.703 1.00 23.20 H new ATOM 0 HG3 GLU A 176 21.780 28.669 7.282 1.00 23.20 H new ATOM 2337 N LEU A 177 18.848 29.778 3.698 1.00 52.53 N ATOM 2338 CA LEU A 177 18.007 30.820 3.117 1.00 61.31 C ATOM 2339 C LEU A 177 16.559 30.668 3.572 1.00 23.50 C ATOM 2340 O LEU A 177 15.873 31.655 3.831 1.00 11.55 O ATOM 2341 CB LEU A 177 18.082 30.770 1.590 1.00 54.11 C ATOM 2342 CG LEU A 177 19.196 31.594 0.945 1.00 5.31 C ATOM 2343 CD1 LEU A 177 18.977 33.078 1.196 1.00 11.11 C ATOM 2344 CD2 LEU A 177 20.556 31.158 1.472 1.00 34.23 C ATOM 0 H LEU A 177 19.403 29.257 3.019 1.00 52.53 H new ATOM 0 HA LEU A 177 18.377 31.786 3.462 1.00 61.31 H new ATOM 0 HB2 LEU A 177 18.204 29.730 1.286 1.00 54.11 H new ATOM 0 HB3 LEU A 177 17.127 31.109 1.188 1.00 54.11 H new ATOM 0 HG LEU A 177 19.172 31.421 -0.131 1.00 5.31 H new ATOM 0 HD11 LEU A 177 19.780 33.648 0.729 1.00 11.11 H new ATOM 0 HD12 LEU A 177 18.021 33.382 0.770 1.00 11.11 H new ATOM 0 HD13 LEU A 177 18.973 33.269 2.269 1.00 11.11 H new ATOM 0 HD21 LEU A 177 21.337 31.755 1.002 1.00 34.23 H new ATOM 0 HD22 LEU A 177 20.591 31.301 2.552 1.00 34.23 H new ATOM 0 HD23 LEU A 177 20.716 30.105 1.240 1.00 34.23 H new ATOM 2356 N MET A 178 16.102 29.423 3.669 1.00 44.24 N ATOM 2357 CA MET A 178 14.737 29.142 4.096 1.00 31.11 C ATOM 2358 C MET A 178 14.429 29.831 5.422 1.00 44.12 C ATOM 2359 O MET A 178 13.397 30.485 5.567 1.00 44.50 O ATOM 2360 CB MET A 178 14.522 27.633 4.230 1.00 4.15 C ATOM 2361 CG MET A 178 13.501 27.075 3.253 1.00 42.05 C ATOM 2362 SD MET A 178 11.819 27.127 3.900 1.00 41.14 S ATOM 2363 CE MET A 178 11.718 25.532 4.708 1.00 11.12 C ATOM 0 H MET A 178 16.657 28.594 3.458 1.00 44.24 H new ATOM 0 HA MET A 178 14.058 29.533 3.338 1.00 31.11 H new ATOM 0 HB2 MET A 178 15.474 27.124 4.078 1.00 4.15 H new ATOM 0 HB3 MET A 178 14.200 27.409 5.247 1.00 4.15 H new ATOM 0 HG2 MET A 178 13.546 27.642 2.323 1.00 42.05 H new ATOM 0 HG3 MET A 178 13.761 26.045 3.011 1.00 42.05 H new ATOM 0 HE1 MET A 178 10.732 25.414 5.158 1.00 11.12 H new ATOM 0 HE2 MET A 178 11.879 24.742 3.975 1.00 11.12 H new ATOM 0 HE3 MET A 178 12.481 25.468 5.483 1.00 11.12 H new ATOM 2373 N ALA A 179 15.331 29.679 6.386 1.00 45.12 N ATOM 2374 CA ALA A 179 15.157 30.288 7.698 1.00 13.34 C ATOM 2375 C ALA A 179 15.242 31.808 7.614 1.00 41.51 C ATOM 2376 O ALA A 179 14.463 32.520 8.249 1.00 63.34 O ATOM 2377 CB ALA A 179 16.197 29.753 8.672 1.00 74.35 C ATOM 0 H ALA A 179 16.190 29.139 6.282 1.00 45.12 H new ATOM 0 HA ALA A 179 14.164 30.025 8.063 1.00 13.34 H new ATOM 0 HB1 ALA A 179 16.054 30.217 9.648 1.00 74.35 H new ATOM 0 HB2 ALA A 179 16.087 28.673 8.765 1.00 74.35 H new ATOM 0 HB3 ALA A 179 17.196 29.986 8.302 1.00 74.35 H new ATOM 2383 N SER A 180 16.193 32.300 6.827 1.00 45.33 N ATOM 2384 CA SER A 180 16.383 33.737 6.663 1.00 63.21 C ATOM 2385 C SER A 180 15.118 34.394 6.121 1.00 74.33 C ATOM 2386 O SER A 180 14.837 35.559 6.406 1.00 24.33 O ATOM 2387 CB SER A 180 17.558 34.013 5.723 1.00 40.44 C ATOM 2388 OG SER A 180 18.767 34.163 6.447 1.00 53.41 O ATOM 0 H SER A 180 16.844 31.725 6.293 1.00 45.33 H new ATOM 0 HA SER A 180 16.602 34.164 7.642 1.00 63.21 H new ATOM 0 HB2 SER A 180 17.657 33.195 5.010 1.00 40.44 H new ATOM 0 HB3 SER A 180 17.362 34.917 5.146 1.00 40.44 H new ATOM 0 HG SER A 180 19.502 34.337 5.823 1.00 53.41 H new ATOM 2394 N LEU A 181 14.356 33.639 5.337 1.00 61.52 N ATOM 2395 CA LEU A 181 13.119 34.146 4.753 1.00 20.23 C ATOM 2396 C LEU A 181 11.958 34.009 5.734 1.00 45.13 C ATOM 2397 O LEU A 181 11.016 34.800 5.709 1.00 12.34 O ATOM 2398 CB LEU A 181 12.798 33.397 3.458 1.00 4.43 C ATOM 2399 CG LEU A 181 13.536 33.875 2.207 1.00 61.11 C ATOM 2400 CD1 LEU A 181 13.964 32.690 1.355 1.00 4.11 C ATOM 2401 CD2 LEU A 181 12.661 34.824 1.402 1.00 50.43 C ATOM 0 H LEU A 181 14.573 32.673 5.091 1.00 61.52 H new ATOM 0 HA LEU A 181 13.259 35.203 4.529 1.00 20.23 H new ATOM 0 HB2 LEU A 181 13.023 32.341 3.607 1.00 4.43 H new ATOM 0 HB3 LEU A 181 11.726 33.472 3.274 1.00 4.43 H new ATOM 0 HG LEU A 181 14.430 34.414 2.519 1.00 61.11 H new ATOM 0 HD11 LEU A 181 14.488 33.049 0.469 1.00 4.11 H new ATOM 0 HD12 LEU A 181 14.628 32.047 1.933 1.00 4.11 H new ATOM 0 HD13 LEU A 181 13.084 32.123 1.051 1.00 4.11 H new ATOM 0 HD21 LEU A 181 13.202 35.154 0.515 1.00 50.43 H new ATOM 0 HD22 LEU A 181 11.749 34.310 1.100 1.00 50.43 H new ATOM 0 HD23 LEU A 181 12.404 35.689 2.013 1.00 50.43 H new ATOM 2413 N SER A 182 12.035 33.001 6.597 1.00 43.31 N ATOM 2414 CA SER A 182 10.990 32.760 7.585 1.00 25.11 C ATOM 2415 C SER A 182 10.952 33.880 8.620 1.00 4.11 C ATOM 2416 O SER A 182 9.883 34.378 8.973 1.00 22.35 O ATOM 2417 CB SER A 182 11.217 31.416 8.280 1.00 71.22 C ATOM 2418 OG SER A 182 12.208 31.523 9.287 1.00 34.13 O ATOM 0 H SER A 182 12.810 32.338 6.632 1.00 43.31 H new ATOM 0 HA SER A 182 10.032 32.736 7.066 1.00 25.11 H new ATOM 0 HB2 SER A 182 10.283 31.069 8.721 1.00 71.22 H new ATOM 0 HB3 SER A 182 11.520 30.670 7.545 1.00 71.22 H new ATOM 0 HG SER A 182 13.083 31.670 8.871 1.00 34.13 H new ATOM 2424 N ASP A 183 12.127 34.272 9.102 1.00 32.30 N ATOM 2425 CA ASP A 183 12.230 35.334 10.096 1.00 34.20 C ATOM 2426 C ASP A 183 11.426 34.988 11.346 1.00 65.00 C ATOM 2427 O ASP A 183 10.905 35.873 12.026 1.00 45.43 O ATOM 2428 CB ASP A 183 11.739 36.659 9.510 1.00 25.12 C ATOM 2429 CG ASP A 183 12.560 37.841 9.986 1.00 2.35 C ATOM 2430 OD1 ASP A 183 12.502 38.157 11.194 1.00 71.34 O ATOM 2431 OD2 ASP A 183 13.261 38.451 9.152 1.00 25.33 O ATOM 0 H ASP A 183 13.021 33.870 8.820 1.00 32.30 H new ATOM 0 HA ASP A 183 13.278 35.435 10.376 1.00 34.20 H new ATOM 0 HB2 ASP A 183 11.777 36.608 8.422 1.00 25.12 H new ATOM 0 HB3 ASP A 183 10.695 36.810 9.786 1.00 25.12 H new