USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=28 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 92 LYS NZ :NH3+ -160:sc= 0.204 (180deg=0.0124) USER MOD Set 1.2: A 180 SER OG : rot -73:sc= 0.605 USER MOD Set 2.1: A 91 MET CE :methyl -109:sc= -3.08! (180deg=-4.43!) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.435 K(o=-3.5,f=-4.7!) 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= -0.661 X(o=-0.66,f=-1.1!) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.0933 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 74:sc= 0.534 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.2!) USER MOD Single : A 40 TYR OH : rot -111:sc= 0.054 USER MOD Single : A 43 MET CE :methyl -141:sc= -1.52 (180deg=-6.98!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0.392 (180deg=-0.336) USER MOD Single : A 53 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 57 THR OG1 : rot -38:sc= -0.657 USER MOD Single : A 61 SER OG : rot -67:sc= 0.806 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0246 USER MOD Single : A 69 THR OG1 : rot -54:sc= 0.837 USER MOD Single : A 70 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-0.8) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc=-0.00762 K(o=-0.0076,f=-1.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0852 K(o=-0.085,f=-0.78) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.1!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -175:sc= -1.87 (180deg=-1.98) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1!) USER MOD Single : A 106 TYR OH : rot -126:sc= 1.4 USER MOD Single : A 107 LYS NZ :NH3+ -134:sc= 0.747 (180deg=-1.16) USER MOD Single : A 108 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0132) USER MOD Single : A 109 GLN : amide:sc= -0.287 K(o=-0.29,f=-0.94) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -118:sc= -0.399 (180deg=-1.28) USER MOD Single : A 123 ASN : amide:sc= -1.77 K(o=-1.8,f=-2.6) USER MOD Single : A 130 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= -1.55! USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 178 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.723 11.267 -13.510 1.00 53.34 N ATOM 123 CA ASP A 12 4.735 12.198 -14.044 1.00 35.32 C ATOM 124 C ASP A 12 4.708 13.488 -13.230 1.00 63.13 C ATOM 125 O ASP A 12 4.368 14.553 -13.746 1.00 32.03 O ATOM 126 CB ASP A 12 3.347 11.554 -14.048 1.00 10.33 C ATOM 127 CG ASP A 12 2.298 12.444 -14.685 1.00 10.31 C ATOM 128 OD1 ASP A 12 1.941 13.472 -14.072 1.00 40.02 O ATOM 129 OD2 ASP A 12 1.833 12.113 -15.796 1.00 23.42 O ATOM 0 HA ASP A 12 5.018 12.442 -15.068 1.00 35.32 H new ATOM 0 HB2 ASP A 12 3.391 10.607 -14.586 1.00 10.33 H new ATOM 0 HB3 ASP A 12 3.052 11.326 -13.024 1.00 10.33 H new ATOM 134 N LYS A 13 5.069 13.385 -11.956 1.00 1.13 N ATOM 135 CA LYS A 13 5.088 14.543 -11.069 1.00 74.25 C ATOM 136 C LYS A 13 6.201 15.509 -11.460 1.00 41.21 C ATOM 137 O LYS A 13 6.011 16.726 -11.455 1.00 24.43 O ATOM 138 CB LYS A 13 5.271 14.096 -9.617 1.00 44.33 C ATOM 139 CG LYS A 13 5.617 15.233 -8.671 1.00 20.34 C ATOM 140 CD LYS A 13 4.788 15.171 -7.399 1.00 34.00 C ATOM 141 CE LYS A 13 3.644 16.174 -7.430 1.00 24.31 C ATOM 142 NZ LYS A 13 3.810 17.236 -6.399 1.00 70.41 N ATOM 0 H LYS A 13 5.353 12.511 -11.514 1.00 1.13 H new ATOM 0 HA LYS A 13 4.133 15.059 -11.165 1.00 74.25 H new ATOM 0 HB2 LYS A 13 4.354 13.616 -9.275 1.00 44.33 H new ATOM 0 HB3 LYS A 13 6.060 13.345 -9.573 1.00 44.33 H new ATOM 0 HG2 LYS A 13 6.676 15.188 -8.419 1.00 20.34 H new ATOM 0 HG3 LYS A 13 5.448 16.187 -9.170 1.00 20.34 H new ATOM 0 HD2 LYS A 13 4.388 14.165 -7.273 1.00 34.00 H new ATOM 0 HD3 LYS A 13 5.425 15.371 -6.538 1.00 34.00 H new ATOM 0 HE2 LYS A 13 3.589 16.632 -8.418 1.00 24.31 H new ATOM 0 HE3 LYS A 13 2.700 15.654 -7.267 1.00 24.31 H new ATOM 0 HZ1 LYS A 13 3.011 17.899 -6.452 1.00 70.41 H new ATOM 0 HZ2 LYS A 13 3.837 16.802 -5.454 1.00 70.41 H new ATOM 0 HZ3 LYS A 13 4.698 17.749 -6.569 1.00 70.41 H new ATOM 156 N VAL A 14 7.363 14.960 -11.800 1.00 40.10 N ATOM 157 CA VAL A 14 8.506 15.774 -12.196 1.00 63.31 C ATOM 158 C VAL A 14 8.169 16.647 -13.400 1.00 30.35 C ATOM 159 O VAL A 14 8.586 17.803 -13.478 1.00 31.54 O ATOM 160 CB VAL A 14 9.727 14.898 -12.537 1.00 11.32 C ATOM 161 CG1 VAL A 14 9.369 13.874 -13.603 1.00 11.11 C ATOM 162 CG2 VAL A 14 10.894 15.764 -12.988 1.00 14.02 C ATOM 0 H VAL A 14 7.537 13.955 -11.809 1.00 40.10 H new ATOM 0 HA VAL A 14 8.750 16.411 -11.346 1.00 63.31 H new ATOM 0 HB VAL A 14 10.029 14.360 -11.638 1.00 11.32 H new ATOM 0 HG11 VAL A 14 10.244 13.265 -13.831 1.00 11.11 H new ATOM 0 HG12 VAL A 14 8.566 13.234 -13.238 1.00 11.11 H new ATOM 0 HG13 VAL A 14 9.040 14.389 -14.506 1.00 11.11 H new ATOM 0 HG21 VAL A 14 11.748 15.129 -13.225 1.00 14.02 H new ATOM 0 HG22 VAL A 14 10.606 16.330 -13.874 1.00 14.02 H new ATOM 0 HG23 VAL A 14 11.165 16.454 -12.189 1.00 14.02 H new ATOM 172 N TYR A 15 7.411 16.087 -14.336 1.00 22.53 N ATOM 173 CA TYR A 15 7.019 16.813 -15.537 1.00 52.24 C ATOM 174 C TYR A 15 5.953 17.857 -15.219 1.00 0.41 C ATOM 175 O TYR A 15 5.747 18.801 -15.981 1.00 54.10 O ATOM 176 CB TYR A 15 6.497 15.843 -16.598 1.00 70.41 C ATOM 177 CG TYR A 15 5.877 16.529 -17.794 1.00 72.02 C ATOM 178 CD1 TYR A 15 6.550 17.543 -18.464 1.00 74.05 C ATOM 179 CD2 TYR A 15 4.618 16.162 -18.254 1.00 51.54 C ATOM 180 CE1 TYR A 15 5.986 18.173 -19.557 1.00 43.21 C ATOM 181 CE2 TYR A 15 4.047 16.786 -19.347 1.00 44.22 C ATOM 182 CZ TYR A 15 4.735 17.791 -19.995 1.00 3.23 C ATOM 183 OH TYR A 15 4.171 18.416 -21.084 1.00 23.53 O ATOM 0 H TYR A 15 7.056 15.132 -14.286 1.00 22.53 H new ATOM 0 HA TYR A 15 7.900 17.325 -15.924 1.00 52.24 H new ATOM 0 HB2 TYR A 15 7.319 15.212 -16.937 1.00 70.41 H new ATOM 0 HB3 TYR A 15 5.757 15.185 -16.143 1.00 70.41 H new ATOM 0 HD1 TYR A 15 7.530 17.844 -18.125 1.00 74.05 H new ATOM 0 HD2 TYR A 15 4.077 15.376 -17.749 1.00 51.54 H new ATOM 0 HE1 TYR A 15 6.522 18.961 -20.066 1.00 43.21 H new ATOM 0 HE2 TYR A 15 3.068 16.489 -19.692 1.00 44.22 H new ATOM 0 HH TYR A 15 3.289 18.029 -21.263 1.00 23.53 H new ATOM 193 N GLU A 16 5.280 17.680 -14.086 1.00 74.25 N ATOM 194 CA GLU A 16 4.235 18.606 -13.667 1.00 12.24 C ATOM 195 C GLU A 16 4.838 19.855 -13.031 1.00 4.24 C ATOM 196 O GLU A 16 4.540 20.977 -13.437 1.00 2.30 O ATOM 197 CB GLU A 16 3.286 17.925 -12.678 1.00 54.34 C ATOM 198 CG GLU A 16 2.360 16.908 -13.325 1.00 44.34 C ATOM 199 CD GLU A 16 1.008 17.494 -13.683 1.00 44.32 C ATOM 200 OE1 GLU A 16 0.328 18.015 -12.775 1.00 53.02 O ATOM 201 OE2 GLU A 16 0.631 17.432 -14.872 1.00 65.03 O ATOM 0 H GLU A 16 5.440 16.905 -13.443 1.00 74.25 H new ATOM 0 HA GLU A 16 3.673 18.905 -14.552 1.00 12.24 H new ATOM 0 HB2 GLU A 16 3.874 17.429 -11.906 1.00 54.34 H new ATOM 0 HB3 GLU A 16 2.685 18.686 -12.181 1.00 54.34 H new ATOM 0 HG2 GLU A 16 2.831 16.515 -14.226 1.00 44.34 H new ATOM 0 HG3 GLU A 16 2.219 16.067 -12.646 1.00 44.34 H new ATOM 208 N ASN A 17 5.689 19.650 -12.030 1.00 14.43 N ATOM 209 CA ASN A 17 6.334 20.759 -11.336 1.00 12.20 C ATOM 210 C ASN A 17 7.035 21.686 -12.325 1.00 33.40 C ATOM 211 O ASN A 17 6.991 22.908 -12.185 1.00 71.04 O ATOM 212 CB ASN A 17 7.341 20.231 -10.313 1.00 24.21 C ATOM 213 CG ASN A 17 6.675 19.456 -9.193 1.00 23.54 C ATOM 214 OD1 ASN A 17 6.523 18.236 -9.272 1.00 13.52 O ATOM 215 ND2 ASN A 17 6.275 20.161 -8.142 1.00 13.54 N ATOM 0 H ASN A 17 5.948 18.727 -11.682 1.00 14.43 H new ATOM 0 HA ASN A 17 5.563 21.328 -10.816 1.00 12.20 H new ATOM 0 HB2 ASN A 17 8.063 19.588 -10.816 1.00 24.21 H new ATOM 0 HB3 ASN A 17 7.898 21.067 -9.891 1.00 24.21 H new ATOM 0 HD21 ASN A 17 5.821 19.694 -7.357 1.00 13.54 H new ATOM 0 HD22 ASN A 17 6.421 21.170 -8.119 1.00 13.54 H new ATOM 222 N VAL A 18 7.681 21.095 -13.325 1.00 73.33 N ATOM 223 CA VAL A 18 8.390 21.866 -14.339 1.00 54.31 C ATOM 224 C VAL A 18 7.457 22.855 -15.030 1.00 33.43 C ATOM 225 O VAL A 18 7.901 23.854 -15.597 1.00 31.44 O ATOM 226 CB VAL A 18 9.024 20.949 -15.401 1.00 23.51 C ATOM 227 CG1 VAL A 18 9.712 21.774 -16.478 1.00 22.42 C ATOM 228 CG2 VAL A 18 10.003 19.981 -14.752 1.00 41.41 C ATOM 0 H VAL A 18 7.728 20.084 -13.455 1.00 73.33 H new ATOM 0 HA VAL A 18 9.180 22.414 -13.824 1.00 54.31 H new ATOM 0 HB VAL A 18 8.232 20.368 -15.874 1.00 23.51 H new ATOM 0 HG11 VAL A 18 10.154 21.108 -17.219 1.00 22.42 H new ATOM 0 HG12 VAL A 18 8.981 22.422 -16.962 1.00 22.42 H new ATOM 0 HG13 VAL A 18 10.494 22.383 -16.025 1.00 22.42 H new ATOM 0 HG21 VAL A 18 10.442 19.340 -15.517 1.00 41.41 H new ATOM 0 HG22 VAL A 18 10.792 20.542 -14.252 1.00 41.41 H new ATOM 0 HG23 VAL A 18 9.477 19.366 -14.022 1.00 41.41 H new ATOM 238 N THR A 19 6.159 22.570 -14.979 1.00 10.05 N ATOM 239 CA THR A 19 5.162 23.433 -15.599 1.00 42.04 C ATOM 240 C THR A 19 4.649 24.477 -14.615 1.00 11.33 C ATOM 241 O THR A 19 4.584 25.664 -14.931 1.00 41.32 O ATOM 242 CB THR A 19 3.969 22.619 -16.135 1.00 23.33 C ATOM 243 OG1 THR A 19 4.432 21.393 -16.712 1.00 25.22 O ATOM 244 CG2 THR A 19 3.194 23.414 -17.175 1.00 24.23 C ATOM 0 H THR A 19 5.774 21.748 -14.514 1.00 10.05 H new ATOM 0 HA THR A 19 5.654 23.935 -16.432 1.00 42.04 H new ATOM 0 HB THR A 19 3.304 22.399 -15.300 1.00 23.33 H new ATOM 0 HG1 THR A 19 4.689 20.772 -15.999 1.00 25.22 H new ATOM 0 HG21 THR A 19 2.357 22.818 -17.539 1.00 24.23 H new ATOM 0 HG22 THR A 19 2.818 24.332 -16.725 1.00 24.23 H new ATOM 0 HG23 THR A 19 3.852 23.662 -18.008 1.00 24.23 H new ATOM 252 N GLY A 20 4.285 24.027 -13.418 1.00 3.15 N ATOM 253 CA GLY A 20 3.783 24.936 -12.404 1.00 51.42 C ATOM 254 C GLY A 20 4.672 26.151 -12.223 1.00 74.11 C ATOM 255 O GLY A 20 4.196 27.287 -12.247 1.00 32.12 O ATOM 0 H GLY A 20 4.329 23.049 -13.132 1.00 3.15 H new ATOM 0 HA2 GLY A 20 2.779 25.262 -12.677 1.00 51.42 H new ATOM 0 HA3 GLY A 20 3.699 24.406 -11.455 1.00 51.42 H new ATOM 259 N LEU A 21 5.966 25.913 -12.040 1.00 74.01 N ATOM 260 CA LEU A 21 6.924 26.997 -11.852 1.00 72.13 C ATOM 261 C LEU A 21 6.883 27.969 -13.027 1.00 1.22 C ATOM 262 O LEU A 21 7.061 29.175 -12.855 1.00 11.25 O ATOM 263 CB LEU A 21 8.337 26.433 -11.691 1.00 35.10 C ATOM 264 CG LEU A 21 8.864 25.600 -12.860 1.00 22.03 C ATOM 265 CD1 LEU A 21 9.647 26.474 -13.827 1.00 62.22 C ATOM 266 CD2 LEU A 21 9.729 24.456 -12.351 1.00 64.15 C ATOM 0 H LEU A 21 6.376 24.979 -12.018 1.00 74.01 H new ATOM 0 HA LEU A 21 6.650 27.538 -10.946 1.00 72.13 H new ATOM 0 HB2 LEU A 21 9.022 27.265 -11.526 1.00 35.10 H new ATOM 0 HB3 LEU A 21 8.361 25.817 -10.792 1.00 35.10 H new ATOM 0 HG LEU A 21 8.013 25.176 -13.393 1.00 22.03 H new ATOM 0 HD11 LEU A 21 10.014 25.864 -14.653 1.00 62.22 H new ATOM 0 HD12 LEU A 21 8.998 27.258 -14.216 1.00 62.22 H new ATOM 0 HD13 LEU A 21 10.491 26.927 -13.307 1.00 62.22 H new ATOM 0 HD21 LEU A 21 10.096 23.873 -13.196 1.00 64.15 H new ATOM 0 HD22 LEU A 21 10.575 24.859 -11.794 1.00 64.15 H new ATOM 0 HD23 LEU A 21 9.137 23.815 -11.698 1.00 64.15 H new ATOM 278 N VAL A 22 6.646 27.437 -14.221 1.00 71.34 N ATOM 279 CA VAL A 22 6.578 28.257 -15.425 1.00 3.44 C ATOM 280 C VAL A 22 5.373 29.190 -15.386 1.00 50.25 C ATOM 281 O VAL A 22 5.513 30.409 -15.491 1.00 22.11 O ATOM 282 CB VAL A 22 6.501 27.388 -16.694 1.00 33.15 C ATOM 283 CG1 VAL A 22 6.379 28.261 -17.933 1.00 3.31 C ATOM 284 CG2 VAL A 22 7.715 26.477 -16.790 1.00 4.21 C ATOM 0 H VAL A 22 6.498 26.441 -14.381 1.00 71.34 H new ATOM 0 HA VAL A 22 7.492 28.850 -15.456 1.00 3.44 H new ATOM 0 HB VAL A 22 5.610 26.763 -16.632 1.00 33.15 H new ATOM 0 HG11 VAL A 22 6.326 27.629 -18.820 1.00 3.31 H new ATOM 0 HG12 VAL A 22 5.475 28.866 -17.864 1.00 3.31 H new ATOM 0 HG13 VAL A 22 7.248 28.914 -18.005 1.00 3.31 H new ATOM 0 HG21 VAL A 22 7.644 25.870 -17.693 1.00 4.21 H new ATOM 0 HG22 VAL A 22 8.621 27.081 -16.829 1.00 4.21 H new ATOM 0 HG23 VAL A 22 7.751 25.826 -15.917 1.00 4.21 H new ATOM 294 N LYS A 23 4.187 28.610 -15.236 1.00 23.24 N ATOM 295 CA LYS A 23 2.955 29.388 -15.181 1.00 64.15 C ATOM 296 C LYS A 23 2.999 30.397 -14.039 1.00 1.24 C ATOM 297 O LYS A 23 2.322 31.424 -14.079 1.00 31.03 O ATOM 298 CB LYS A 23 1.750 28.461 -15.012 1.00 15.14 C ATOM 299 CG LYS A 23 1.723 27.735 -13.678 1.00 5.24 C ATOM 300 CD LYS A 23 0.355 27.140 -13.393 1.00 73.35 C ATOM 301 CE LYS A 23 -0.016 27.271 -11.924 1.00 52.12 C ATOM 302 NZ LYS A 23 -1.236 26.486 -11.588 1.00 22.34 N ATOM 0 H LYS A 23 4.053 27.602 -15.150 1.00 23.24 H new ATOM 0 HA LYS A 23 2.857 29.934 -16.120 1.00 64.15 H new ATOM 0 HB2 LYS A 23 0.836 29.045 -15.117 1.00 15.14 H new ATOM 0 HB3 LYS A 23 1.752 27.725 -15.816 1.00 15.14 H new ATOM 0 HG2 LYS A 23 2.472 26.943 -13.679 1.00 5.24 H new ATOM 0 HG3 LYS A 23 1.992 28.428 -12.881 1.00 5.24 H new ATOM 0 HD2 LYS A 23 -0.395 27.641 -14.005 1.00 73.35 H new ATOM 0 HD3 LYS A 23 0.348 26.088 -13.678 1.00 73.35 H new ATOM 0 HE2 LYS A 23 0.816 26.931 -11.308 1.00 52.12 H new ATOM 0 HE3 LYS A 23 -0.182 28.321 -11.684 1.00 52.12 H new ATOM 0 HZ1 LYS A 23 -1.456 26.601 -10.578 1.00 22.34 H new ATOM 0 HZ2 LYS A 23 -2.036 26.827 -12.158 1.00 22.34 H new ATOM 0 HZ3 LYS A 23 -1.069 25.480 -11.793 1.00 22.34 H new ATOM 316 N ALA A 24 3.801 30.099 -13.022 1.00 21.31 N ATOM 317 CA ALA A 24 3.936 30.982 -11.870 1.00 75.21 C ATOM 318 C ALA A 24 4.679 32.260 -12.242 1.00 54.33 C ATOM 319 O ALA A 24 4.265 33.360 -11.875 1.00 2.13 O ATOM 320 CB ALA A 24 4.652 30.264 -10.735 1.00 54.25 C ATOM 0 H ALA A 24 4.367 29.252 -12.973 1.00 21.31 H new ATOM 0 HA ALA A 24 2.936 31.258 -11.536 1.00 75.21 H new ATOM 0 HB1 ALA A 24 4.746 30.935 -9.881 1.00 54.25 H new ATOM 0 HB2 ALA A 24 4.080 29.384 -10.443 1.00 54.25 H new ATOM 0 HB3 ALA A 24 5.644 29.958 -11.067 1.00 54.25 H new ATOM 326 N VAL A 25 5.778 32.109 -12.974 1.00 23.35 N ATOM 327 CA VAL A 25 6.579 33.251 -13.396 1.00 1.51 C ATOM 328 C VAL A 25 5.763 34.205 -14.261 1.00 73.12 C ATOM 329 O VAL A 25 6.076 35.392 -14.360 1.00 60.45 O ATOM 330 CB VAL A 25 7.826 32.803 -14.181 1.00 42.50 C ATOM 331 CG1 VAL A 25 8.652 34.009 -14.606 1.00 35.53 C ATOM 332 CG2 VAL A 25 8.661 31.841 -13.350 1.00 2.22 C ATOM 0 H VAL A 25 6.134 31.206 -13.287 1.00 23.35 H new ATOM 0 HA VAL A 25 6.896 33.767 -12.490 1.00 1.51 H new ATOM 0 HB VAL A 25 7.500 32.281 -15.081 1.00 42.50 H new ATOM 0 HG11 VAL A 25 9.529 33.673 -15.159 1.00 35.53 H new ATOM 0 HG12 VAL A 25 8.049 34.658 -15.241 1.00 35.53 H new ATOM 0 HG13 VAL A 25 8.971 34.562 -13.722 1.00 35.53 H new ATOM 0 HG21 VAL A 25 9.538 31.535 -13.920 1.00 2.22 H new ATOM 0 HG22 VAL A 25 8.979 32.335 -12.432 1.00 2.22 H new ATOM 0 HG23 VAL A 25 8.065 30.963 -13.102 1.00 2.22 H new ATOM 342 N ILE A 26 4.715 33.678 -14.885 1.00 55.22 N ATOM 343 CA ILE A 26 3.852 34.483 -15.741 1.00 52.11 C ATOM 344 C ILE A 26 2.893 35.332 -14.913 1.00 4.12 C ATOM 345 O ILE A 26 2.860 36.555 -15.045 1.00 23.01 O ATOM 346 CB ILE A 26 3.037 33.602 -16.706 1.00 55.43 C ATOM 347 CG1 ILE A 26 3.960 32.642 -17.459 1.00 1.41 C ATOM 348 CG2 ILE A 26 2.255 34.469 -17.683 1.00 5.25 C ATOM 349 CD1 ILE A 26 4.950 33.341 -18.364 1.00 40.52 C ATOM 0 H ILE A 26 4.443 32.698 -14.814 1.00 55.22 H new ATOM 0 HA ILE A 26 4.504 35.137 -16.321 1.00 52.11 H new ATOM 0 HB ILE A 26 2.328 33.013 -16.125 1.00 55.43 H new ATOM 0 HG12 ILE A 26 4.506 32.035 -16.737 1.00 1.41 H new ATOM 0 HG13 ILE A 26 3.353 31.960 -18.055 1.00 1.41 H new ATOM 0 HG21 ILE A 26 1.684 33.832 -18.358 1.00 5.25 H new ATOM 0 HG22 ILE A 26 1.573 35.115 -17.131 1.00 5.25 H new ATOM 0 HG23 ILE A 26 2.947 35.082 -18.261 1.00 5.25 H new ATOM 0 HD11 ILE A 26 5.571 32.599 -18.865 1.00 40.52 H new ATOM 0 HD12 ILE A 26 4.411 33.927 -19.109 1.00 40.52 H new ATOM 0 HD13 ILE A 26 5.582 34.002 -17.771 1.00 40.52 H new ATOM 361 N GLU A 27 2.117 34.674 -14.058 1.00 14.23 N ATOM 362 CA GLU A 27 1.158 35.370 -13.207 1.00 21.31 C ATOM 363 C GLU A 27 1.832 36.509 -12.447 1.00 34.54 C ATOM 364 O GLU A 27 1.412 37.662 -12.536 1.00 32.12 O ATOM 365 CB GLU A 27 0.516 34.393 -12.220 1.00 33.30 C ATOM 366 CG GLU A 27 -0.969 34.173 -12.460 1.00 4.34 C ATOM 367 CD GLU A 27 -1.400 32.746 -12.182 1.00 44.23 C ATOM 368 OE1 GLU A 27 -0.967 32.184 -11.155 1.00 3.12 O ATOM 369 OE2 GLU A 27 -2.171 32.192 -12.993 1.00 63.24 O ATOM 0 H GLU A 27 2.133 33.661 -13.936 1.00 14.23 H new ATOM 0 HA GLU A 27 0.382 35.792 -13.846 1.00 21.31 H new ATOM 0 HB2 GLU A 27 1.032 33.435 -12.283 1.00 33.30 H new ATOM 0 HB3 GLU A 27 0.660 34.766 -11.206 1.00 33.30 H new ATOM 0 HG2 GLU A 27 -1.540 34.851 -11.826 1.00 4.34 H new ATOM 0 HG3 GLU A 27 -1.208 34.426 -13.493 1.00 4.34 H new ATOM 376 N MET A 28 2.878 36.175 -11.698 1.00 42.15 N ATOM 377 CA MET A 28 3.610 37.169 -10.923 1.00 5.52 C ATOM 378 C MET A 28 4.131 38.286 -11.823 1.00 34.21 C ATOM 379 O MET A 28 4.072 39.462 -11.466 1.00 12.35 O ATOM 380 CB MET A 28 4.776 36.512 -10.181 1.00 73.10 C ATOM 381 CG MET A 28 5.723 35.749 -11.092 1.00 60.44 C ATOM 382 SD MET A 28 7.225 36.674 -11.464 1.00 63.33 S ATOM 383 CE MET A 28 8.253 36.227 -10.067 1.00 32.21 C ATOM 0 H MET A 28 3.237 35.224 -11.612 1.00 42.15 H new ATOM 0 HA MET A 28 2.923 37.602 -10.196 1.00 5.52 H new ATOM 0 HB2 MET A 28 5.337 37.281 -9.649 1.00 73.10 H new ATOM 0 HB3 MET A 28 4.379 35.830 -9.429 1.00 73.10 H new ATOM 0 HG2 MET A 28 5.991 34.803 -10.621 1.00 60.44 H new ATOM 0 HG3 MET A 28 5.210 35.508 -12.023 1.00 60.44 H new ATOM 0 HE1 MET A 28 9.220 36.722 -10.154 1.00 32.21 H new ATOM 0 HE2 MET A 28 7.767 36.539 -9.143 1.00 32.21 H new ATOM 0 HE3 MET A 28 8.399 35.147 -10.053 1.00 32.21 H new ATOM 393 N SER A 29 4.640 37.909 -12.991 1.00 52.05 N ATOM 394 CA SER A 29 5.174 38.878 -13.941 1.00 0.53 C ATOM 395 C SER A 29 4.090 39.855 -14.388 1.00 24.10 C ATOM 396 O SER A 29 4.385 40.941 -14.887 1.00 64.32 O ATOM 397 CB SER A 29 5.764 38.162 -15.157 1.00 31.52 C ATOM 398 OG SER A 29 5.757 39.002 -16.297 1.00 51.35 O ATOM 0 H SER A 29 4.694 36.939 -13.303 1.00 52.05 H new ATOM 0 HA SER A 29 5.963 39.441 -13.442 1.00 0.53 H new ATOM 0 HB2 SER A 29 6.785 37.849 -14.938 1.00 31.52 H new ATOM 0 HB3 SER A 29 5.191 37.258 -15.364 1.00 31.52 H new ATOM 0 HG SER A 29 6.141 38.521 -17.060 1.00 51.35 H new ATOM 404 N SER A 30 2.835 39.460 -14.205 1.00 34.21 N ATOM 405 CA SER A 30 1.706 40.297 -14.593 1.00 15.34 C ATOM 406 C SER A 30 1.470 41.401 -13.566 1.00 44.32 C ATOM 407 O SER A 30 1.469 42.586 -13.900 1.00 55.35 O ATOM 408 CB SER A 30 0.442 39.448 -14.744 1.00 12.33 C ATOM 409 OG SER A 30 0.734 38.203 -15.354 1.00 31.04 O ATOM 0 H SER A 30 2.574 38.565 -13.790 1.00 34.21 H new ATOM 0 HA SER A 30 1.941 40.760 -15.552 1.00 15.34 H new ATOM 0 HB2 SER A 30 -0.006 39.280 -13.765 1.00 12.33 H new ATOM 0 HB3 SER A 30 -0.292 39.987 -15.343 1.00 12.33 H new ATOM 0 HG SER A 30 1.192 37.623 -14.710 1.00 31.04 H new ATOM 415 N LYS A 31 1.272 41.004 -12.314 1.00 62.20 N ATOM 416 CA LYS A 31 1.037 41.957 -11.236 1.00 40.22 C ATOM 417 C LYS A 31 2.335 42.283 -10.505 1.00 45.11 C ATOM 418 O LYS A 31 2.318 42.705 -9.349 1.00 1.44 O ATOM 419 CB LYS A 31 0.010 41.399 -10.249 1.00 33.12 C ATOM 420 CG LYS A 31 0.523 40.222 -9.437 1.00 3.41 C ATOM 421 CD LYS A 31 -0.599 39.266 -9.069 1.00 40.32 C ATOM 422 CE LYS A 31 -0.578 38.021 -9.942 1.00 33.43 C ATOM 423 NZ LYS A 31 -1.271 36.875 -9.290 1.00 13.13 N ATOM 0 H LYS A 31 1.270 40.027 -12.020 1.00 62.20 H new ATOM 0 HA LYS A 31 0.648 42.875 -11.676 1.00 40.22 H new ATOM 0 HB2 LYS A 31 -0.296 42.193 -9.568 1.00 33.12 H new ATOM 0 HB3 LYS A 31 -0.879 41.090 -10.799 1.00 33.12 H new ATOM 0 HG2 LYS A 31 1.283 39.689 -10.008 1.00 3.41 H new ATOM 0 HG3 LYS A 31 1.003 40.587 -8.529 1.00 3.41 H new ATOM 0 HD2 LYS A 31 -0.505 38.979 -8.022 1.00 40.32 H new ATOM 0 HD3 LYS A 31 -1.559 39.771 -9.176 1.00 40.32 H new ATOM 0 HE2 LYS A 31 -1.056 38.239 -10.897 1.00 33.43 H new ATOM 0 HE3 LYS A 31 0.454 37.746 -10.158 1.00 33.43 H new ATOM 0 HZ1 LYS A 31 -1.235 36.046 -9.916 1.00 13.13 H new ATOM 0 HZ2 LYS A 31 -0.799 36.650 -8.391 1.00 13.13 H new ATOM 0 HZ3 LYS A 31 -2.263 37.128 -9.107 1.00 13.13 H new ATOM 437 N ILE A 32 3.459 42.086 -11.187 1.00 74.31 N ATOM 438 CA ILE A 32 4.765 42.361 -10.603 1.00 1.35 C ATOM 439 C ILE A 32 4.908 43.837 -10.247 1.00 51.30 C ATOM 440 O ILE A 32 5.456 44.183 -9.201 1.00 21.02 O ATOM 441 CB ILE A 32 5.905 41.963 -11.558 1.00 60.54 C ATOM 442 CG1 ILE A 32 7.263 42.286 -10.931 1.00 54.53 C ATOM 443 CG2 ILE A 32 5.749 42.674 -12.894 1.00 63.32 C ATOM 444 CD1 ILE A 32 7.520 41.551 -9.635 1.00 0.44 C ATOM 0 H ILE A 32 3.490 41.737 -12.145 1.00 74.31 H new ATOM 0 HA ILE A 32 4.837 41.761 -9.696 1.00 1.35 H new ATOM 0 HB ILE A 32 5.854 40.888 -11.732 1.00 60.54 H new ATOM 0 HG12 ILE A 32 8.051 42.038 -11.642 1.00 54.53 H new ATOM 0 HG13 ILE A 32 7.324 43.359 -10.749 1.00 54.53 H new ATOM 0 HG21 ILE A 32 6.562 42.382 -13.558 1.00 63.32 H new ATOM 0 HG22 ILE A 32 4.796 42.397 -13.344 1.00 63.32 H new ATOM 0 HG23 ILE A 32 5.777 43.752 -12.738 1.00 63.32 H new ATOM 0 HD11 ILE A 32 8.500 41.828 -9.248 1.00 0.44 H new ATOM 0 HD12 ILE A 32 6.754 41.818 -8.907 1.00 0.44 H new ATOM 0 HD13 ILE A 32 7.492 40.476 -9.814 1.00 0.44 H new ATOM 456 N GLN A 33 4.409 44.703 -11.124 1.00 63.41 N ATOM 457 CA GLN A 33 4.481 46.142 -10.902 1.00 34.24 C ATOM 458 C GLN A 33 3.801 46.524 -9.591 1.00 53.42 C ATOM 459 O GLN A 33 4.425 47.052 -8.670 1.00 61.24 O ATOM 460 CB GLN A 33 3.830 46.892 -12.065 1.00 62.14 C ATOM 461 CG GLN A 33 4.832 47.530 -13.013 1.00 43.55 C ATOM 462 CD GLN A 33 4.247 48.699 -13.781 1.00 14.31 C ATOM 463 OE1 GLN A 33 3.144 49.160 -13.486 1.00 54.30 O ATOM 464 NE2 GLN A 33 4.984 49.186 -14.772 1.00 71.14 N ATOM 0 H GLN A 33 3.951 44.433 -11.994 1.00 63.41 H new ATOM 0 HA GLN A 33 5.532 46.423 -10.841 1.00 34.24 H new ATOM 0 HB2 GLN A 33 3.201 46.201 -12.626 1.00 62.14 H new ATOM 0 HB3 GLN A 33 3.175 47.667 -11.666 1.00 62.14 H new ATOM 0 HG2 GLN A 33 5.698 47.870 -12.445 1.00 43.55 H new ATOM 0 HG3 GLN A 33 5.188 46.779 -13.718 1.00 43.55 H new ATOM 0 HE21 GLN A 33 5.893 48.773 -14.982 1.00 71.14 H new ATOM 0 HE22 GLN A 33 4.641 49.973 -15.323 1.00 71.14 H new ATOM 473 N PRO A 34 2.490 46.254 -9.503 1.00 71.20 N ATOM 474 CA PRO A 34 1.697 46.561 -8.309 1.00 54.43 C ATOM 475 C PRO A 34 2.060 45.670 -7.126 1.00 40.43 C ATOM 476 O PRO A 34 1.601 45.892 -6.006 1.00 43.32 O ATOM 477 CB PRO A 34 0.259 46.292 -8.760 1.00 32.12 C ATOM 478 CG PRO A 34 0.388 45.303 -9.867 1.00 14.42 C ATOM 479 CD PRO A 34 1.681 45.626 -10.562 1.00 5.13 C ATOM 0 HA PRO A 34 1.865 47.579 -7.959 1.00 54.43 H new ATOM 0 HB2 PRO A 34 -0.344 45.896 -7.943 1.00 32.12 H new ATOM 0 HB3 PRO A 34 -0.227 47.206 -9.101 1.00 32.12 H new ATOM 0 HG2 PRO A 34 0.397 44.284 -9.481 1.00 14.42 H new ATOM 0 HG3 PRO A 34 -0.454 45.376 -10.555 1.00 14.42 H new ATOM 0 HD2 PRO A 34 2.160 44.730 -10.956 1.00 5.13 H new ATOM 0 HD3 PRO A 34 1.527 46.301 -11.404 1.00 5.13 H new ATOM 487 N ALA A 35 2.887 44.662 -7.383 1.00 1.21 N ATOM 488 CA ALA A 35 3.314 43.740 -6.338 1.00 72.53 C ATOM 489 C ALA A 35 3.783 44.493 -5.099 1.00 25.04 C ATOM 490 O ALA A 35 4.855 45.100 -5.080 1.00 74.20 O ATOM 491 CB ALA A 35 4.419 42.831 -6.856 1.00 72.31 C ATOM 0 H ALA A 35 3.274 44.463 -8.305 1.00 1.21 H new ATOM 0 HA ALA A 35 2.457 43.128 -6.056 1.00 72.53 H new ATOM 0 HB1 ALA A 35 4.728 42.148 -6.065 1.00 72.31 H new ATOM 0 HB2 ALA A 35 4.050 42.258 -7.707 1.00 72.31 H new ATOM 0 HB3 ALA A 35 5.271 43.435 -7.167 1.00 72.31 H new ATOM 497 N PRO A 36 2.965 44.456 -4.037 1.00 34.31 N ATOM 498 CA PRO A 36 3.276 45.130 -2.773 1.00 53.31 C ATOM 499 C PRO A 36 4.429 44.466 -2.030 1.00 24.41 C ATOM 500 O PRO A 36 4.869 43.367 -2.372 1.00 10.45 O ATOM 501 CB PRO A 36 1.978 45.000 -1.972 1.00 73.53 C ATOM 502 CG PRO A 36 1.309 43.791 -2.530 1.00 20.54 C ATOM 503 CD PRO A 36 1.672 43.752 -3.988 1.00 62.32 C ATOM 0 HA PRO A 36 3.595 46.161 -2.929 1.00 53.31 H new ATOM 0 HB2 PRO A 36 2.180 44.885 -0.907 1.00 73.53 H new ATOM 0 HB3 PRO A 36 1.353 45.886 -2.084 1.00 73.53 H new ATOM 0 HG2 PRO A 36 1.646 42.888 -2.020 1.00 20.54 H new ATOM 0 HG3 PRO A 36 0.228 43.847 -2.398 1.00 20.54 H new ATOM 0 HD2 PRO A 36 1.758 42.729 -4.353 1.00 62.32 H new ATOM 0 HD3 PRO A 36 0.921 44.248 -4.603 1.00 62.32 H new ATOM 511 N PRO A 37 4.933 45.144 -0.988 1.00 52.54 N ATOM 512 CA PRO A 37 6.042 44.638 -0.175 1.00 33.34 C ATOM 513 C PRO A 37 5.636 43.440 0.677 1.00 74.31 C ATOM 514 O PRO A 37 6.485 42.675 1.134 1.00 50.44 O ATOM 515 CB PRO A 37 6.402 45.829 0.716 1.00 14.41 C ATOM 516 CG PRO A 37 5.149 46.632 0.799 1.00 23.03 C ATOM 517 CD PRO A 37 4.458 46.459 -0.525 1.00 31.03 C ATOM 0 HA PRO A 37 6.869 44.283 -0.790 1.00 33.34 H new ATOM 0 HB2 PRO A 37 6.728 45.501 1.703 1.00 14.41 H new ATOM 0 HB3 PRO A 37 7.218 46.411 0.288 1.00 14.41 H new ATOM 0 HG2 PRO A 37 4.517 46.286 1.617 1.00 23.03 H new ATOM 0 HG3 PRO A 37 5.370 47.682 0.989 1.00 23.03 H new ATOM 0 HD2 PRO A 37 3.373 46.480 -0.418 1.00 31.03 H new ATOM 0 HD3 PRO A 37 4.725 47.252 -1.224 1.00 31.03 H new ATOM 525 N GLU A 38 4.332 43.282 0.886 1.00 41.52 N ATOM 526 CA GLU A 38 3.815 42.177 1.683 1.00 31.33 C ATOM 527 C GLU A 38 3.623 40.930 0.825 1.00 64.32 C ATOM 528 O GLU A 38 3.564 39.813 1.339 1.00 3.40 O ATOM 529 CB GLU A 38 2.488 42.568 2.338 1.00 61.54 C ATOM 530 CG GLU A 38 1.421 42.994 1.343 1.00 4.11 C ATOM 531 CD GLU A 38 0.217 42.073 1.348 1.00 21.22 C ATOM 532 OE1 GLU A 38 0.332 40.945 0.824 1.00 75.01 O ATOM 533 OE2 GLU A 38 -0.839 42.479 1.876 1.00 72.02 O ATOM 0 H GLU A 38 3.615 43.905 0.514 1.00 41.52 H new ATOM 0 HA GLU A 38 4.544 41.953 2.462 1.00 31.33 H new ATOM 0 HB2 GLU A 38 2.116 41.723 2.918 1.00 61.54 H new ATOM 0 HB3 GLU A 38 2.665 43.383 3.040 1.00 61.54 H new ATOM 0 HG2 GLU A 38 1.098 44.009 1.575 1.00 4.11 H new ATOM 0 HG3 GLU A 38 1.852 43.017 0.342 1.00 4.11 H new ATOM 540 N GLU A 39 3.527 41.130 -0.486 1.00 34.21 N ATOM 541 CA GLU A 39 3.340 40.022 -1.415 1.00 63.24 C ATOM 542 C GLU A 39 4.685 39.468 -1.878 1.00 52.24 C ATOM 543 O GLU A 39 4.752 38.401 -2.489 1.00 31.24 O ATOM 544 CB GLU A 39 2.519 40.474 -2.624 1.00 72.05 C ATOM 545 CG GLU A 39 1.018 40.423 -2.394 1.00 12.21 C ATOM 546 CD GLU A 39 0.470 39.009 -2.424 1.00 44.43 C ATOM 547 OE1 GLU A 39 0.713 38.300 -3.423 1.00 13.10 O ATOM 548 OE2 GLU A 39 -0.200 38.613 -1.448 1.00 75.45 O ATOM 0 H GLU A 39 3.576 42.048 -0.928 1.00 34.21 H new ATOM 0 HA GLU A 39 2.800 39.231 -0.894 1.00 63.24 H new ATOM 0 HB2 GLU A 39 2.804 41.493 -2.885 1.00 72.05 H new ATOM 0 HB3 GLU A 39 2.769 39.844 -3.478 1.00 72.05 H new ATOM 0 HG2 GLU A 39 0.786 40.878 -1.431 1.00 12.21 H new ATOM 0 HG3 GLU A 39 0.517 41.019 -3.157 1.00 12.21 H new ATOM 555 N TYR A 40 5.753 40.202 -1.585 1.00 35.44 N ATOM 556 CA TYR A 40 7.095 39.787 -1.973 1.00 23.51 C ATOM 557 C TYR A 40 7.604 38.669 -1.067 1.00 14.43 C ATOM 558 O TYR A 40 8.376 37.811 -1.493 1.00 74.53 O ATOM 559 CB TYR A 40 8.055 40.977 -1.921 1.00 73.31 C ATOM 560 CG TYR A 40 8.726 41.271 -3.243 1.00 42.14 C ATOM 561 CD1 TYR A 40 7.985 41.378 -4.413 1.00 55.13 C ATOM 562 CD2 TYR A 40 10.103 41.443 -3.322 1.00 52.34 C ATOM 563 CE1 TYR A 40 8.594 41.646 -5.623 1.00 42.25 C ATOM 564 CE2 TYR A 40 10.721 41.713 -4.528 1.00 52.21 C ATOM 565 CZ TYR A 40 9.962 41.813 -5.676 1.00 4.12 C ATOM 566 OH TYR A 40 10.573 42.082 -6.879 1.00 63.33 O ATOM 0 H TYR A 40 5.715 41.087 -1.080 1.00 35.44 H new ATOM 0 HA TYR A 40 7.049 39.410 -2.995 1.00 23.51 H new ATOM 0 HB2 TYR A 40 7.507 41.862 -1.597 1.00 73.31 H new ATOM 0 HB3 TYR A 40 8.820 40.783 -1.170 1.00 73.31 H new ATOM 0 HD1 TYR A 40 6.913 41.249 -4.376 1.00 55.13 H new ATOM 0 HD2 TYR A 40 10.700 41.364 -2.425 1.00 52.34 H new ATOM 0 HE1 TYR A 40 8.002 41.724 -6.523 1.00 42.25 H new ATOM 0 HE2 TYR A 40 11.792 41.845 -4.572 1.00 52.21 H new ATOM 0 HH TYR A 40 11.108 41.309 -7.154 1.00 63.33 H new ATOM 576 N VAL A 41 7.164 38.688 0.188 1.00 71.53 N ATOM 577 CA VAL A 41 7.572 37.676 1.155 1.00 14.14 C ATOM 578 C VAL A 41 7.145 36.283 0.707 1.00 30.11 C ATOM 579 O VAL A 41 7.963 35.376 0.553 1.00 72.41 O ATOM 580 CB VAL A 41 6.977 37.960 2.548 1.00 64.21 C ATOM 581 CG1 VAL A 41 6.739 36.660 3.302 1.00 44.41 C ATOM 582 CG2 VAL A 41 7.891 38.885 3.338 1.00 32.31 C ATOM 0 H VAL A 41 6.526 39.392 0.558 1.00 71.53 H new ATOM 0 HA VAL A 41 8.660 37.717 1.216 1.00 14.14 H new ATOM 0 HB VAL A 41 6.016 38.458 2.420 1.00 64.21 H new ATOM 0 HG11 VAL A 41 6.319 36.880 4.283 1.00 44.41 H new ATOM 0 HG12 VAL A 41 6.043 36.036 2.741 1.00 44.41 H new ATOM 0 HG13 VAL A 41 7.684 36.131 3.423 1.00 44.41 H new ATOM 0 HG21 VAL A 41 7.456 39.075 4.319 1.00 32.31 H new ATOM 0 HG22 VAL A 41 8.867 38.416 3.459 1.00 32.31 H new ATOM 0 HG23 VAL A 41 8.005 39.828 2.803 1.00 32.31 H new ATOM 592 N PRO A 42 5.833 36.107 0.492 1.00 72.43 N ATOM 593 CA PRO A 42 5.267 34.826 0.057 1.00 41.24 C ATOM 594 C PRO A 42 5.649 34.482 -1.379 1.00 32.31 C ATOM 595 O PRO A 42 5.833 33.313 -1.718 1.00 42.35 O ATOM 596 CB PRO A 42 3.757 35.049 0.170 1.00 51.14 C ATOM 597 CG PRO A 42 3.580 36.522 0.035 1.00 2.22 C ATOM 598 CD PRO A 42 4.801 37.144 0.656 1.00 74.12 C ATOM 0 HA PRO A 42 5.634 33.993 0.656 1.00 41.24 H new ATOM 0 HB2 PRO A 42 3.218 34.512 -0.611 1.00 51.14 H new ATOM 0 HB3 PRO A 42 3.374 34.690 1.126 1.00 51.14 H new ATOM 0 HG2 PRO A 42 3.485 36.809 -1.012 1.00 2.22 H new ATOM 0 HG3 PRO A 42 2.673 36.854 0.540 1.00 2.22 H new ATOM 0 HD2 PRO A 42 5.079 38.071 0.154 1.00 74.12 H new ATOM 0 HD3 PRO A 42 4.638 37.387 1.706 1.00 74.12 H new ATOM 606 N MET A 43 5.766 35.506 -2.217 1.00 51.23 N ATOM 607 CA MET A 43 6.128 35.311 -3.616 1.00 74.45 C ATOM 608 C MET A 43 7.390 34.463 -3.738 1.00 71.13 C ATOM 609 O MET A 43 7.388 33.420 -4.392 1.00 23.41 O ATOM 610 CB MET A 43 6.338 36.661 -4.305 1.00 34.23 C ATOM 611 CG MET A 43 5.144 37.114 -5.130 1.00 2.43 C ATOM 612 SD MET A 43 5.483 38.611 -6.077 1.00 23.21 S ATOM 613 CE MET A 43 4.016 39.575 -5.724 1.00 33.14 C ATOM 0 H MET A 43 5.615 36.479 -1.952 1.00 51.23 H new ATOM 0 HA MET A 43 5.309 34.785 -4.107 1.00 74.45 H new ATOM 0 HB2 MET A 43 6.554 37.416 -3.549 1.00 34.23 H new ATOM 0 HB3 MET A 43 7.213 36.598 -4.952 1.00 34.23 H new ATOM 0 HG2 MET A 43 4.854 36.315 -5.812 1.00 2.43 H new ATOM 0 HG3 MET A 43 4.296 37.291 -4.468 1.00 2.43 H new ATOM 0 HE1 MET A 43 3.703 40.104 -6.624 1.00 33.14 H new ATOM 0 HE2 MET A 43 3.215 38.912 -5.396 1.00 33.14 H new ATOM 0 HE3 MET A 43 4.235 40.296 -4.937 1.00 33.14 H new ATOM 623 N VAL A 44 8.466 34.918 -3.105 1.00 65.12 N ATOM 624 CA VAL A 44 9.735 34.201 -3.142 1.00 63.32 C ATOM 625 C VAL A 44 9.575 32.774 -2.629 1.00 4.12 C ATOM 626 O VAL A 44 10.254 31.856 -3.091 1.00 11.35 O ATOM 627 CB VAL A 44 10.810 34.918 -2.305 1.00 5.52 C ATOM 628 CG1 VAL A 44 12.115 34.136 -2.326 1.00 35.23 C ATOM 629 CG2 VAL A 44 11.022 36.337 -2.813 1.00 20.31 C ATOM 0 H VAL A 44 8.485 35.780 -2.560 1.00 65.12 H new ATOM 0 HA VAL A 44 10.054 34.176 -4.184 1.00 63.32 H new ATOM 0 HB VAL A 44 10.464 34.973 -1.273 1.00 5.52 H new ATOM 0 HG11 VAL A 44 12.862 34.659 -1.729 1.00 35.23 H new ATOM 0 HG12 VAL A 44 11.950 33.142 -1.911 1.00 35.23 H new ATOM 0 HG13 VAL A 44 12.469 34.047 -3.353 1.00 35.23 H new ATOM 0 HG21 VAL A 44 11.785 36.829 -2.210 1.00 20.31 H new ATOM 0 HG22 VAL A 44 11.346 36.306 -3.853 1.00 20.31 H new ATOM 0 HG23 VAL A 44 10.087 36.893 -2.740 1.00 20.31 H new ATOM 639 N LYS A 45 8.673 32.594 -1.670 1.00 60.14 N ATOM 640 CA LYS A 45 8.421 31.279 -1.094 1.00 31.43 C ATOM 641 C LYS A 45 8.055 30.270 -2.178 1.00 43.11 C ATOM 642 O LYS A 45 8.535 29.137 -2.171 1.00 41.11 O ATOM 643 CB LYS A 45 7.297 31.360 -0.058 1.00 61.12 C ATOM 644 CG LYS A 45 7.673 30.779 1.294 1.00 73.20 C ATOM 645 CD LYS A 45 7.468 31.788 2.411 1.00 3.31 C ATOM 646 CE LYS A 45 8.681 32.692 2.575 1.00 70.33 C ATOM 647 NZ LYS A 45 8.844 33.152 3.982 1.00 62.35 N ATOM 0 H LYS A 45 8.104 33.343 -1.275 1.00 60.14 H new ATOM 0 HA LYS A 45 9.335 30.944 -0.604 1.00 31.43 H new ATOM 0 HB2 LYS A 45 7.008 32.403 0.072 1.00 61.12 H new ATOM 0 HB3 LYS A 45 6.423 30.833 -0.440 1.00 61.12 H new ATOM 0 HG2 LYS A 45 7.072 29.891 1.490 1.00 73.20 H new ATOM 0 HG3 LYS A 45 8.715 30.460 1.277 1.00 73.20 H new ATOM 0 HD2 LYS A 45 6.587 32.394 2.198 1.00 3.31 H new ATOM 0 HD3 LYS A 45 7.275 31.263 3.346 1.00 3.31 H new ATOM 0 HE2 LYS A 45 9.578 32.157 2.262 1.00 70.33 H new ATOM 0 HE3 LYS A 45 8.581 33.557 1.919 1.00 70.33 H new ATOM 0 HZ1 LYS A 45 9.469 33.983 4.005 1.00 62.35 H new ATOM 0 HZ2 LYS A 45 7.915 33.407 4.374 1.00 62.35 H new ATOM 0 HZ3 LYS A 45 9.262 32.388 4.551 1.00 62.35 H new ATOM 661 N GLU A 46 7.204 30.691 -3.109 1.00 24.12 N ATOM 662 CA GLU A 46 6.776 29.823 -4.200 1.00 1.23 C ATOM 663 C GLU A 46 7.946 29.491 -5.122 1.00 33.12 C ATOM 664 O GLU A 46 8.150 28.335 -5.492 1.00 20.42 O ATOM 665 CB GLU A 46 5.655 30.489 -5.000 1.00 74.20 C ATOM 666 CG GLU A 46 4.273 30.277 -4.404 1.00 60.41 C ATOM 667 CD GLU A 46 3.790 28.846 -4.545 1.00 42.14 C ATOM 668 OE1 GLU A 46 4.303 28.132 -5.433 1.00 1.42 O ATOM 669 OE2 GLU A 46 2.900 28.440 -3.769 1.00 40.44 O ATOM 0 H GLU A 46 6.798 31.626 -3.129 1.00 24.12 H new ATOM 0 HA GLU A 46 6.402 28.895 -3.767 1.00 1.23 H new ATOM 0 HB2 GLU A 46 5.853 31.559 -5.065 1.00 74.20 H new ATOM 0 HB3 GLU A 46 5.666 30.100 -6.018 1.00 74.20 H new ATOM 0 HG2 GLU A 46 4.291 30.548 -3.348 1.00 60.41 H new ATOM 0 HG3 GLU A 46 3.564 30.946 -4.893 1.00 60.41 H new ATOM 676 N VAL A 47 8.711 30.514 -5.490 1.00 32.23 N ATOM 677 CA VAL A 47 9.860 30.332 -6.368 1.00 23.41 C ATOM 678 C VAL A 47 10.897 29.413 -5.732 1.00 65.11 C ATOM 679 O VAL A 47 11.433 28.518 -6.385 1.00 3.40 O ATOM 680 CB VAL A 47 10.524 31.679 -6.710 1.00 25.42 C ATOM 681 CG1 VAL A 47 11.572 31.497 -7.797 1.00 61.25 C ATOM 682 CG2 VAL A 47 9.476 32.697 -7.132 1.00 63.14 C ATOM 0 H VAL A 47 8.555 31.477 -5.193 1.00 32.23 H new ATOM 0 HA VAL A 47 9.488 29.876 -7.286 1.00 23.41 H new ATOM 0 HB VAL A 47 11.024 32.055 -5.817 1.00 25.42 H new ATOM 0 HG11 VAL A 47 12.030 32.459 -8.025 1.00 61.25 H new ATOM 0 HG12 VAL A 47 12.338 30.803 -7.451 1.00 61.25 H new ATOM 0 HG13 VAL A 47 11.100 31.098 -8.695 1.00 61.25 H new ATOM 0 HG21 VAL A 47 9.963 33.643 -7.370 1.00 63.14 H new ATOM 0 HG22 VAL A 47 8.946 32.330 -8.011 1.00 63.14 H new ATOM 0 HG23 VAL A 47 8.767 32.848 -6.318 1.00 63.14 H new ATOM 692 N GLY A 48 11.176 29.640 -4.452 1.00 0.11 N ATOM 693 CA GLY A 48 12.148 28.824 -3.748 1.00 43.22 C ATOM 694 C GLY A 48 11.832 27.344 -3.832 1.00 2.12 C ATOM 695 O GLY A 48 12.728 26.520 -4.017 1.00 65.31 O ATOM 0 H GLY A 48 10.746 30.375 -3.890 1.00 0.11 H new ATOM 0 HA2 GLY A 48 13.139 29.005 -4.164 1.00 43.22 H new ATOM 0 HA3 GLY A 48 12.182 29.126 -2.701 1.00 43.22 H new ATOM 699 N LEU A 49 10.555 27.005 -3.693 1.00 64.25 N ATOM 700 CA LEU A 49 10.123 25.613 -3.753 1.00 32.22 C ATOM 701 C LEU A 49 10.388 25.019 -5.132 1.00 74.35 C ATOM 702 O LEU A 49 10.763 23.853 -5.256 1.00 2.34 O ATOM 703 CB LEU A 49 8.635 25.506 -3.416 1.00 34.11 C ATOM 704 CG LEU A 49 8.299 25.117 -1.976 1.00 33.42 C ATOM 705 CD1 LEU A 49 8.678 26.235 -1.018 1.00 51.42 C ATOM 706 CD2 LEU A 49 6.821 24.779 -1.846 1.00 34.34 C ATOM 0 H LEU A 49 9.801 27.674 -3.538 1.00 64.25 H new ATOM 0 HA LEU A 49 10.697 25.048 -3.019 1.00 32.22 H new ATOM 0 HB2 LEU A 49 8.164 26.465 -3.631 1.00 34.11 H new ATOM 0 HB3 LEU A 49 8.184 24.773 -4.084 1.00 34.11 H new ATOM 0 HG LEU A 49 8.878 24.231 -1.715 1.00 33.42 H new ATOM 0 HD11 LEU A 49 8.431 25.940 0.002 1.00 51.42 H new ATOM 0 HD12 LEU A 49 9.748 26.429 -1.091 1.00 51.42 H new ATOM 0 HD13 LEU A 49 8.127 27.139 -1.277 1.00 51.42 H new ATOM 0 HD21 LEU A 49 6.600 24.504 -0.815 1.00 34.34 H new ATOM 0 HD22 LEU A 49 6.223 25.646 -2.127 1.00 34.34 H new ATOM 0 HD23 LEU A 49 6.580 23.944 -2.503 1.00 34.34 H new ATOM 718 N ALA A 50 10.191 25.829 -6.168 1.00 31.24 N ATOM 719 CA ALA A 50 10.412 25.385 -7.538 1.00 65.41 C ATOM 720 C ALA A 50 11.863 24.964 -7.751 1.00 74.21 C ATOM 721 O ALA A 50 12.137 23.849 -8.198 1.00 2.05 O ATOM 722 CB ALA A 50 10.031 26.485 -8.518 1.00 32.45 C ATOM 0 H ALA A 50 9.879 26.796 -6.084 1.00 31.24 H new ATOM 0 HA ALA A 50 9.778 24.517 -7.719 1.00 65.41 H new ATOM 0 HB1 ALA A 50 10.201 26.139 -9.538 1.00 32.45 H new ATOM 0 HB2 ALA A 50 8.978 26.736 -8.391 1.00 32.45 H new ATOM 0 HB3 ALA A 50 10.640 27.369 -8.328 1.00 32.45 H new ATOM 728 N LEU A 51 12.787 25.862 -7.430 1.00 65.32 N ATOM 729 CA LEU A 51 14.211 25.584 -7.587 1.00 71.51 C ATOM 730 C LEU A 51 14.651 24.457 -6.658 1.00 62.31 C ATOM 731 O LEU A 51 15.294 23.499 -7.089 1.00 1.21 O ATOM 732 CB LEU A 51 15.031 26.843 -7.304 1.00 1.31 C ATOM 733 CG LEU A 51 14.506 28.139 -7.922 1.00 52.33 C ATOM 734 CD1 LEU A 51 14.208 29.165 -6.840 1.00 4.13 C ATOM 735 CD2 LEU A 51 15.506 28.695 -8.926 1.00 33.01 C ATOM 0 H LEU A 51 12.577 26.789 -7.060 1.00 65.32 H new ATOM 0 HA LEU A 51 14.383 25.270 -8.616 1.00 71.51 H new ATOM 0 HB2 LEU A 51 15.092 26.978 -6.224 1.00 1.31 H new ATOM 0 HB3 LEU A 51 16.047 26.679 -7.662 1.00 1.31 H new ATOM 0 HG LEU A 51 13.578 27.917 -8.449 1.00 52.33 H new ATOM 0 HD11 LEU A 51 13.835 30.081 -7.299 1.00 4.13 H new ATOM 0 HD12 LEU A 51 13.455 28.768 -6.160 1.00 4.13 H new ATOM 0 HD13 LEU A 51 15.120 29.383 -6.284 1.00 4.13 H new ATOM 0 HD21 LEU A 51 15.115 29.617 -9.356 1.00 33.01 H new ATOM 0 HD22 LEU A 51 16.451 28.901 -8.423 1.00 33.01 H new ATOM 0 HD23 LEU A 51 15.669 27.966 -9.719 1.00 33.01 H new ATOM 747 N ARG A 52 14.299 24.577 -5.382 1.00 70.13 N ATOM 748 CA ARG A 52 14.657 23.568 -4.393 1.00 11.04 C ATOM 749 C ARG A 52 14.161 22.189 -4.818 1.00 11.11 C ATOM 750 O ARG A 52 14.934 21.234 -4.890 1.00 64.53 O ATOM 751 CB ARG A 52 14.073 23.933 -3.027 1.00 14.03 C ATOM 752 CG ARG A 52 14.418 22.938 -1.931 1.00 3.12 C ATOM 753 CD ARG A 52 13.975 23.438 -0.565 1.00 22.13 C ATOM 754 NE ARG A 52 12.668 22.908 -0.185 1.00 64.43 N ATOM 755 CZ ARG A 52 12.483 21.681 0.290 1.00 12.22 C ATOM 756 NH1 ARG A 52 13.515 20.863 0.444 1.00 12.12 N ATOM 757 NH2 ARG A 52 11.263 21.271 0.613 1.00 11.13 N ATOM 0 H ARG A 52 13.766 25.363 -5.009 1.00 70.13 H new ATOM 0 HA ARG A 52 15.744 23.537 -4.320 1.00 11.04 H new ATOM 0 HB2 ARG A 52 14.436 24.919 -2.738 1.00 14.03 H new ATOM 0 HB3 ARG A 52 12.989 24.005 -3.112 1.00 14.03 H new ATOM 0 HG2 ARG A 52 13.939 21.982 -2.142 1.00 3.12 H new ATOM 0 HG3 ARG A 52 15.494 22.761 -1.924 1.00 3.12 H new ATOM 0 HD2 ARG A 52 14.714 23.151 0.183 1.00 22.13 H new ATOM 0 HD3 ARG A 52 13.936 24.527 -0.573 1.00 22.13 H new ATOM 0 HE ARG A 52 11.853 23.513 -0.290 1.00 64.43 H new ATOM 0 HH11 ARG A 52 14.454 21.175 0.198 1.00 12.12 H new ATOM 0 HH12 ARG A 52 13.370 19.922 0.809 1.00 12.12 H new ATOM 0 HH21 ARG A 52 10.467 21.898 0.497 1.00 11.13 H new ATOM 0 HH22 ARG A 52 11.121 20.329 0.978 1.00 11.13 H new ATOM 771 N THR A 53 12.865 22.092 -5.098 1.00 52.41 N ATOM 772 CA THR A 53 12.265 20.831 -5.514 1.00 51.24 C ATOM 773 C THR A 53 12.821 20.375 -6.858 1.00 63.31 C ATOM 774 O THR A 53 12.981 19.178 -7.101 1.00 73.34 O ATOM 775 CB THR A 53 10.732 20.945 -5.618 1.00 43.42 C ATOM 776 OG1 THR A 53 10.190 21.405 -4.375 1.00 51.02 O ATOM 777 CG2 THR A 53 10.113 19.604 -5.982 1.00 42.45 C ATOM 0 H THR A 53 12.211 22.873 -5.044 1.00 52.41 H new ATOM 0 HA THR A 53 12.516 20.095 -4.751 1.00 51.24 H new ATOM 0 HB THR A 53 10.495 21.662 -6.405 1.00 43.42 H new ATOM 0 HG1 THR A 53 10.256 22.382 -4.331 1.00 51.02 H new ATOM 0 HG21 THR A 53 9.030 19.709 -6.050 1.00 42.45 H new ATOM 0 HG22 THR A 53 10.506 19.271 -6.943 1.00 42.45 H new ATOM 0 HG23 THR A 53 10.359 18.870 -5.215 1.00 42.45 H new ATOM 785 N LEU A 54 13.116 21.334 -7.728 1.00 10.51 N ATOM 786 CA LEU A 54 13.656 21.031 -9.049 1.00 22.25 C ATOM 787 C LEU A 54 14.868 20.110 -8.943 1.00 11.43 C ATOM 788 O LEU A 54 15.033 19.189 -9.744 1.00 1.24 O ATOM 789 CB LEU A 54 14.044 22.322 -9.772 1.00 34.30 C ATOM 790 CG LEU A 54 13.065 22.813 -10.839 1.00 33.10 C ATOM 791 CD1 LEU A 54 13.418 24.225 -11.278 1.00 45.23 C ATOM 792 CD2 LEU A 54 13.057 21.868 -12.031 1.00 70.44 C ATOM 0 H LEU A 54 12.990 22.329 -7.543 1.00 10.51 H new ATOM 0 HA LEU A 54 12.883 20.520 -9.622 1.00 22.25 H new ATOM 0 HB2 LEU A 54 14.165 23.109 -9.028 1.00 34.30 H new ATOM 0 HB3 LEU A 54 15.017 22.174 -10.240 1.00 34.30 H new ATOM 0 HG LEU A 54 12.064 22.829 -10.407 1.00 33.10 H new ATOM 0 HD11 LEU A 54 12.710 24.557 -12.038 1.00 45.23 H new ATOM 0 HD12 LEU A 54 13.371 24.895 -10.420 1.00 45.23 H new ATOM 0 HD13 LEU A 54 14.426 24.236 -11.692 1.00 45.23 H new ATOM 0 HD21 LEU A 54 12.355 22.233 -12.780 1.00 70.44 H new ATOM 0 HD22 LEU A 54 14.056 21.819 -12.464 1.00 70.44 H new ATOM 0 HD23 LEU A 54 12.754 20.873 -11.705 1.00 70.44 H new ATOM 804 N LEU A 55 15.712 20.364 -7.949 1.00 11.12 N ATOM 805 CA LEU A 55 16.908 19.557 -7.736 1.00 22.20 C ATOM 806 C LEU A 55 16.546 18.088 -7.537 1.00 40.44 C ATOM 807 O LEU A 55 17.176 17.200 -8.111 1.00 1.51 O ATOM 808 CB LEU A 55 17.685 20.071 -6.523 1.00 21.13 C ATOM 809 CG LEU A 55 19.167 20.370 -6.752 1.00 60.01 C ATOM 810 CD1 LEU A 55 19.334 21.512 -7.742 1.00 51.04 C ATOM 811 CD2 LEU A 55 19.855 20.699 -5.435 1.00 71.31 C ATOM 0 H LEU A 55 15.590 21.122 -7.278 1.00 11.12 H new ATOM 0 HA LEU A 55 17.535 19.641 -8.624 1.00 22.20 H new ATOM 0 HB2 LEU A 55 17.202 20.981 -6.167 1.00 21.13 H new ATOM 0 HB3 LEU A 55 17.603 19.333 -5.725 1.00 21.13 H new ATOM 0 HG LEU A 55 19.637 19.480 -7.172 1.00 60.01 H new ATOM 0 HD11 LEU A 55 20.395 21.711 -7.893 1.00 51.04 H new ATOM 0 HD12 LEU A 55 18.877 21.239 -8.693 1.00 51.04 H new ATOM 0 HD13 LEU A 55 18.849 22.406 -7.351 1.00 51.04 H new ATOM 0 HD21 LEU A 55 20.909 20.909 -5.618 1.00 71.31 H new ATOM 0 HD22 LEU A 55 19.383 21.573 -4.986 1.00 71.31 H new ATOM 0 HD23 LEU A 55 19.766 19.851 -4.756 1.00 71.31 H new ATOM 823 N ALA A 56 15.526 17.841 -6.723 1.00 34.03 N ATOM 824 CA ALA A 56 15.077 16.481 -6.452 1.00 74.10 C ATOM 825 C ALA A 56 14.328 15.902 -7.648 1.00 20.34 C ATOM 826 O ALA A 56 14.502 14.734 -7.997 1.00 25.43 O ATOM 827 CB ALA A 56 14.196 16.453 -5.211 1.00 61.25 C ATOM 0 H ALA A 56 14.995 18.565 -6.239 1.00 34.03 H new ATOM 0 HA ALA A 56 15.957 15.863 -6.273 1.00 74.10 H new ATOM 0 HB1 ALA A 56 13.868 15.431 -5.021 1.00 61.25 H new ATOM 0 HB2 ALA A 56 14.763 16.818 -4.354 1.00 61.25 H new ATOM 0 HB3 ALA A 56 13.326 17.090 -5.368 1.00 61.25 H new ATOM 833 N THR A 57 13.492 16.725 -8.273 1.00 4.54 N ATOM 834 CA THR A 57 12.716 16.294 -9.428 1.00 14.51 C ATOM 835 C THR A 57 13.623 15.777 -10.538 1.00 73.42 C ATOM 836 O THR A 57 13.420 14.679 -11.058 1.00 2.02 O ATOM 837 CB THR A 57 11.849 17.441 -9.982 1.00 11.24 C ATOM 838 OG1 THR A 57 12.684 18.452 -10.558 1.00 34.20 O ATOM 839 CG2 THR A 57 10.991 18.050 -8.883 1.00 3.52 C ATOM 0 H THR A 57 13.335 17.695 -7.998 1.00 4.54 H new ATOM 0 HA THR A 57 12.066 15.488 -9.089 1.00 14.51 H new ATOM 0 HB THR A 57 11.192 17.032 -10.750 1.00 11.24 H new ATOM 0 HG1 THR A 57 13.495 18.554 -10.017 1.00 34.20 H new ATOM 0 HG21 THR A 57 10.388 18.858 -9.298 1.00 3.52 H new ATOM 0 HG22 THR A 57 10.336 17.285 -8.467 1.00 3.52 H new ATOM 0 HG23 THR A 57 11.634 18.445 -8.096 1.00 3.52 H new ATOM 847 N VAL A 58 14.624 16.573 -10.898 1.00 4.14 N ATOM 848 CA VAL A 58 15.564 16.194 -11.946 1.00 24.14 C ATOM 849 C VAL A 58 16.388 14.979 -11.532 1.00 0.50 C ATOM 850 O VAL A 58 16.784 14.170 -12.371 1.00 1.20 O ATOM 851 CB VAL A 58 16.518 17.353 -12.291 1.00 55.41 C ATOM 852 CG1 VAL A 58 17.452 17.642 -11.126 1.00 14.31 C ATOM 853 CG2 VAL A 58 17.307 17.036 -13.552 1.00 60.10 C ATOM 0 H VAL A 58 14.805 17.485 -10.479 1.00 4.14 H new ATOM 0 HA VAL A 58 14.972 15.946 -12.827 1.00 24.14 H new ATOM 0 HB VAL A 58 15.923 18.247 -12.478 1.00 55.41 H new ATOM 0 HG11 VAL A 58 18.118 18.464 -11.389 1.00 14.31 H new ATOM 0 HG12 VAL A 58 16.866 17.917 -10.249 1.00 14.31 H new ATOM 0 HG13 VAL A 58 18.042 16.753 -10.904 1.00 14.31 H new ATOM 0 HG21 VAL A 58 17.976 17.866 -13.781 1.00 60.10 H new ATOM 0 HG22 VAL A 58 17.893 16.130 -13.397 1.00 60.10 H new ATOM 0 HG23 VAL A 58 16.619 16.885 -14.384 1.00 60.10 H new ATOM 863 N ASP A 59 16.642 14.858 -10.234 1.00 10.33 N ATOM 864 CA ASP A 59 17.418 13.741 -9.707 1.00 54.24 C ATOM 865 C ASP A 59 16.783 12.409 -10.095 1.00 23.13 C ATOM 866 O ASP A 59 17.481 11.456 -10.440 1.00 42.20 O ATOM 867 CB ASP A 59 17.531 13.843 -8.185 1.00 55.15 C ATOM 868 CG ASP A 59 18.797 13.201 -7.655 1.00 1.14 C ATOM 869 OD1 ASP A 59 19.819 13.222 -8.372 1.00 42.12 O ATOM 870 OD2 ASP A 59 18.767 12.678 -6.521 1.00 54.31 O ATOM 0 H ASP A 59 16.322 15.520 -9.527 1.00 10.33 H new ATOM 0 HA ASP A 59 18.417 13.787 -10.141 1.00 54.24 H new ATOM 0 HB2 ASP A 59 17.509 14.892 -7.891 1.00 55.15 H new ATOM 0 HB3 ASP A 59 16.665 13.365 -7.726 1.00 55.15 H new ATOM 875 N GLU A 60 15.457 12.351 -10.033 1.00 74.23 N ATOM 876 CA GLU A 60 14.729 11.134 -10.376 1.00 4.21 C ATOM 877 C GLU A 60 14.552 11.014 -11.887 1.00 35.02 C ATOM 878 O GLU A 60 14.283 9.931 -12.407 1.00 21.03 O ATOM 879 CB GLU A 60 13.363 11.120 -9.688 1.00 32.53 C ATOM 880 CG GLU A 60 13.420 11.484 -8.214 1.00 13.42 C ATOM 881 CD GLU A 60 12.651 10.510 -7.342 1.00 5.43 C ATOM 882 OE1 GLU A 60 12.771 9.288 -7.568 1.00 41.44 O ATOM 883 OE2 GLU A 60 11.931 10.971 -6.432 1.00 15.11 O ATOM 0 H GLU A 60 14.865 13.131 -9.749 1.00 74.23 H new ATOM 0 HA GLU A 60 15.312 10.281 -10.027 1.00 4.21 H new ATOM 0 HB2 GLU A 60 12.700 11.817 -10.200 1.00 32.53 H new ATOM 0 HB3 GLU A 60 12.923 10.128 -9.792 1.00 32.53 H new ATOM 0 HG2 GLU A 60 14.461 11.512 -7.891 1.00 13.42 H new ATOM 0 HG3 GLU A 60 13.016 12.487 -8.075 1.00 13.42 H new ATOM 890 N SER A 61 14.703 12.135 -12.586 1.00 34.55 N ATOM 891 CA SER A 61 14.555 12.157 -14.036 1.00 75.30 C ATOM 892 C SER A 61 15.754 11.503 -14.715 1.00 23.34 C ATOM 893 O SER A 61 15.657 11.021 -15.844 1.00 44.02 O ATOM 894 CB SER A 61 14.395 13.595 -14.532 1.00 4.33 C ATOM 895 OG SER A 61 15.637 14.127 -14.961 1.00 72.13 O ATOM 0 H SER A 61 14.928 13.039 -12.171 1.00 34.55 H new ATOM 0 HA SER A 61 13.660 11.590 -14.293 1.00 75.30 H new ATOM 0 HB2 SER A 61 13.680 13.622 -15.355 1.00 4.33 H new ATOM 0 HB3 SER A 61 13.986 14.215 -13.734 1.00 4.33 H new ATOM 0 HG SER A 61 16.236 14.221 -14.191 1.00 72.13 H new ATOM 901 N LEU A 62 16.885 11.489 -14.018 1.00 2.42 N ATOM 902 CA LEU A 62 18.106 10.895 -14.552 1.00 33.35 C ATOM 903 C LEU A 62 17.846 9.478 -15.055 1.00 44.40 C ATOM 904 O LEU A 62 18.027 9.169 -16.233 1.00 2.11 O ATOM 905 CB LEU A 62 19.198 10.875 -13.480 1.00 53.55 C ATOM 906 CG LEU A 62 20.262 11.968 -13.587 1.00 51.32 C ATOM 907 CD1 LEU A 62 21.268 11.846 -12.453 1.00 40.14 C ATOM 908 CD2 LEU A 62 20.964 11.899 -14.936 1.00 10.15 C ATOM 0 H LEU A 62 16.982 11.882 -13.082 1.00 2.42 H new ATOM 0 HA LEU A 62 18.441 11.504 -15.392 1.00 33.35 H new ATOM 0 HB2 LEU A 62 18.722 10.954 -12.503 1.00 53.55 H new ATOM 0 HB3 LEU A 62 19.696 9.906 -13.515 1.00 53.55 H new ATOM 0 HG LEU A 62 19.770 12.937 -13.506 1.00 51.32 H new ATOM 0 HD11 LEU A 62 22.018 12.632 -12.545 1.00 40.14 H new ATOM 0 HD12 LEU A 62 20.753 11.946 -11.498 1.00 40.14 H new ATOM 0 HD13 LEU A 62 21.755 10.872 -12.502 1.00 40.14 H new ATOM 0 HD21 LEU A 62 21.718 12.684 -14.994 1.00 10.15 H new ATOM 0 HD22 LEU A 62 21.444 10.927 -15.047 1.00 10.15 H new ATOM 0 HD23 LEU A 62 20.234 12.037 -15.734 1.00 10.15 H new ATOM 920 N PRO A 63 17.410 8.597 -14.143 1.00 62.43 N ATOM 921 CA PRO A 63 17.114 7.199 -14.472 1.00 53.22 C ATOM 922 C PRO A 63 15.871 7.060 -15.345 1.00 11.12 C ATOM 923 O PRO A 63 15.862 6.300 -16.313 1.00 51.22 O ATOM 924 CB PRO A 63 16.881 6.554 -13.104 1.00 10.35 C ATOM 925 CG PRO A 63 16.446 7.676 -12.225 1.00 41.32 C ATOM 926 CD PRO A 63 17.172 8.896 -12.721 1.00 64.02 C ATOM 0 HA PRO A 63 17.917 6.736 -15.045 1.00 53.22 H new ATOM 0 HB2 PRO A 63 16.120 5.775 -13.158 1.00 10.35 H new ATOM 0 HB3 PRO A 63 17.790 6.086 -12.727 1.00 10.35 H new ATOM 0 HG2 PRO A 63 15.366 7.816 -12.277 1.00 41.32 H new ATOM 0 HG3 PRO A 63 16.691 7.473 -11.183 1.00 41.32 H new ATOM 0 HD2 PRO A 63 16.574 9.798 -12.595 1.00 64.02 H new ATOM 0 HD3 PRO A 63 18.106 9.055 -12.182 1.00 64.02 H new ATOM 934 N VAL A 64 14.823 7.799 -14.996 1.00 13.32 N ATOM 935 CA VAL A 64 13.575 7.759 -15.748 1.00 54.55 C ATOM 936 C VAL A 64 13.824 7.974 -17.237 1.00 74.12 C ATOM 937 O VAL A 64 13.122 7.416 -18.082 1.00 21.20 O ATOM 938 CB VAL A 64 12.582 8.825 -15.246 1.00 42.04 C ATOM 939 CG1 VAL A 64 11.354 8.875 -16.142 1.00 51.23 C ATOM 940 CG2 VAL A 64 12.189 8.548 -13.803 1.00 53.23 C ATOM 0 H VAL A 64 14.814 8.433 -14.197 1.00 13.32 H new ATOM 0 HA VAL A 64 13.144 6.770 -15.593 1.00 54.55 H new ATOM 0 HB VAL A 64 13.070 9.799 -15.285 1.00 42.04 H new ATOM 0 HG11 VAL A 64 10.664 9.633 -15.772 1.00 51.23 H new ATOM 0 HG12 VAL A 64 11.656 9.124 -17.159 1.00 51.23 H new ATOM 0 HG13 VAL A 64 10.861 7.903 -16.138 1.00 51.23 H new ATOM 0 HG21 VAL A 64 11.487 9.310 -13.464 1.00 53.23 H new ATOM 0 HG22 VAL A 64 11.719 7.567 -13.736 1.00 53.23 H new ATOM 0 HG23 VAL A 64 13.079 8.568 -13.173 1.00 53.23 H new ATOM 950 N LEU A 65 14.827 8.785 -17.553 1.00 12.44 N ATOM 951 CA LEU A 65 15.170 9.074 -18.941 1.00 0.02 C ATOM 952 C LEU A 65 16.423 8.313 -19.362 1.00 31.45 C ATOM 953 O LEU A 65 17.227 7.885 -18.533 1.00 1.31 O ATOM 954 CB LEU A 65 15.384 10.577 -19.132 1.00 62.50 C ATOM 955 CG LEU A 65 14.122 11.413 -19.346 1.00 31.42 C ATOM 956 CD1 LEU A 65 13.485 11.084 -20.687 1.00 12.00 C ATOM 957 CD2 LEU A 65 13.132 11.183 -18.213 1.00 3.53 C ATOM 0 H LEU A 65 15.418 9.255 -16.867 1.00 12.44 H new ATOM 0 HA LEU A 65 14.341 8.748 -19.570 1.00 0.02 H new ATOM 0 HB2 LEU A 65 15.907 10.963 -18.257 1.00 62.50 H new ATOM 0 HB3 LEU A 65 16.042 10.724 -19.988 1.00 62.50 H new ATOM 0 HG LEU A 65 14.403 12.466 -19.349 1.00 31.42 H new ATOM 0 HD11 LEU A 65 12.588 11.689 -20.822 1.00 12.00 H new ATOM 0 HD12 LEU A 65 14.192 11.300 -21.488 1.00 12.00 H new ATOM 0 HD13 LEU A 65 13.218 10.028 -20.713 1.00 12.00 H new ATOM 0 HD21 LEU A 65 12.240 11.786 -18.382 1.00 3.53 H new ATOM 0 HD22 LEU A 65 12.857 10.129 -18.179 1.00 3.53 H new ATOM 0 HD23 LEU A 65 13.590 11.469 -17.266 1.00 3.53 H new ATOM 969 N PRO A 66 16.596 8.140 -20.680 1.00 73.34 N ATOM 970 CA PRO A 66 17.750 7.432 -21.241 1.00 63.15 C ATOM 971 C PRO A 66 19.048 8.216 -21.075 1.00 74.31 C ATOM 972 O PRO A 66 19.100 9.413 -21.353 1.00 42.32 O ATOM 973 CB PRO A 66 17.395 7.294 -22.724 1.00 64.31 C ATOM 974 CG PRO A 66 16.456 8.418 -22.995 1.00 44.02 C ATOM 975 CD PRO A 66 15.677 8.622 -21.725 1.00 43.35 C ATOM 0 HA PRO A 66 17.927 6.480 -20.740 1.00 63.15 H new ATOM 0 HB2 PRO A 66 18.284 7.361 -23.352 1.00 64.31 H new ATOM 0 HB3 PRO A 66 16.930 6.330 -22.932 1.00 64.31 H new ATOM 0 HG2 PRO A 66 16.999 9.322 -23.269 1.00 44.02 H new ATOM 0 HG3 PRO A 66 15.792 8.180 -23.826 1.00 44.02 H new ATOM 0 HD2 PRO A 66 15.415 9.670 -21.578 1.00 43.35 H new ATOM 0 HD3 PRO A 66 14.744 8.058 -21.731 1.00 43.35 H new ATOM 983 N ALA A 67 20.092 7.532 -20.620 1.00 65.02 N ATOM 984 CA ALA A 67 21.390 8.164 -20.419 1.00 44.24 C ATOM 985 C ALA A 67 21.924 8.749 -21.723 1.00 32.11 C ATOM 986 O ALA A 67 22.234 8.016 -22.662 1.00 30.01 O ATOM 987 CB ALA A 67 22.381 7.164 -19.843 1.00 23.21 C ATOM 0 H ALA A 67 20.064 6.540 -20.384 1.00 65.02 H new ATOM 0 HA ALA A 67 21.262 8.982 -19.710 1.00 44.24 H new ATOM 0 HB1 ALA A 67 23.346 7.650 -19.698 1.00 23.21 H new ATOM 0 HB2 ALA A 67 22.012 6.797 -18.885 1.00 23.21 H new ATOM 0 HB3 ALA A 67 22.496 6.327 -20.532 1.00 23.21 H new ATOM 993 N SER A 68 22.027 10.073 -21.774 1.00 3.15 N ATOM 994 CA SER A 68 22.519 10.756 -22.964 1.00 40.42 C ATOM 995 C SER A 68 22.453 12.270 -22.788 1.00 11.41 C ATOM 996 O SER A 68 23.295 13.006 -23.305 1.00 75.45 O ATOM 997 CB SER A 68 21.706 10.338 -24.191 1.00 15.35 C ATOM 998 OG SER A 68 20.337 10.171 -23.862 1.00 41.51 O ATOM 0 H SER A 68 21.776 10.694 -21.005 1.00 3.15 H new ATOM 0 HA SER A 68 23.560 10.470 -23.112 1.00 40.42 H new ATOM 0 HB2 SER A 68 21.806 11.092 -24.972 1.00 15.35 H new ATOM 0 HB3 SER A 68 22.103 9.406 -24.594 1.00 15.35 H new ATOM 0 HG SER A 68 19.838 9.905 -24.663 1.00 41.51 H new ATOM 1004 N THR A 69 21.445 12.731 -22.053 1.00 24.11 N ATOM 1005 CA THR A 69 21.267 14.156 -21.808 1.00 51.53 C ATOM 1006 C THR A 69 21.473 14.492 -20.336 1.00 33.45 C ATOM 1007 O THR A 69 20.717 15.272 -19.754 1.00 64.35 O ATOM 1008 CB THR A 69 19.866 14.629 -22.240 1.00 11.52 C ATOM 1009 OG1 THR A 69 19.735 16.038 -22.019 1.00 13.15 O ATOM 1010 CG2 THR A 69 18.783 13.887 -21.471 1.00 5.23 C ATOM 0 H THR A 69 20.740 12.137 -21.617 1.00 24.11 H new ATOM 0 HA THR A 69 22.018 14.675 -22.404 1.00 51.53 H new ATOM 0 HB THR A 69 19.746 14.415 -23.302 1.00 11.52 H new ATOM 0 HG1 THR A 69 19.954 16.245 -21.086 1.00 13.15 H new ATOM 0 HG21 THR A 69 17.803 14.238 -21.793 1.00 5.23 H new ATOM 0 HG22 THR A 69 18.867 12.818 -21.664 1.00 5.23 H new ATOM 0 HG23 THR A 69 18.902 14.073 -20.404 1.00 5.23 H new ATOM 1018 N HIS A 70 22.500 13.898 -19.736 1.00 41.12 N ATOM 1019 CA HIS A 70 22.806 14.135 -18.330 1.00 10.31 C ATOM 1020 C HIS A 70 23.860 15.228 -18.180 1.00 64.11 C ATOM 1021 O HIS A 70 23.943 15.886 -17.143 1.00 11.10 O ATOM 1022 CB HIS A 70 23.293 12.846 -17.668 1.00 11.25 C ATOM 1023 CG HIS A 70 24.605 12.358 -18.200 1.00 74.53 C ATOM 1024 ND1 HIS A 70 25.820 12.856 -17.780 1.00 70.44 N ATOM 1025 CD2 HIS A 70 24.887 11.408 -19.123 1.00 41.51 C ATOM 1026 CE1 HIS A 70 26.793 12.235 -18.423 1.00 42.33 C ATOM 1027 NE2 HIS A 70 26.254 11.352 -19.244 1.00 32.12 N ATOM 0 H HIS A 70 23.134 13.249 -20.202 1.00 41.12 H new ATOM 0 HA HIS A 70 21.893 14.466 -17.836 1.00 10.31 H new ATOM 0 HB2 HIS A 70 23.384 13.011 -16.594 1.00 11.25 H new ATOM 0 HB3 HIS A 70 22.542 12.069 -17.808 1.00 11.25 H new ATOM 0 HD2 HIS A 70 24.171 10.807 -19.663 1.00 41.51 H new ATOM 0 HE1 HIS A 70 27.850 12.418 -18.298 1.00 42.33 H new ATOM 0 HE2 HIS A 70 26.769 10.730 -19.867 1.00 32.12 H new ATOM 1035 N ARG A 71 24.665 15.414 -19.222 1.00 15.34 N ATOM 1036 CA ARG A 71 25.715 16.425 -19.205 1.00 13.43 C ATOM 1037 C ARG A 71 25.155 17.784 -18.792 1.00 21.41 C ATOM 1038 O ARG A 71 25.431 18.272 -17.697 1.00 32.35 O ATOM 1039 CB ARG A 71 26.373 16.530 -20.581 1.00 44.24 C ATOM 1040 CG ARG A 71 27.469 17.581 -20.654 1.00 24.22 C ATOM 1041 CD ARG A 71 28.677 17.185 -19.819 1.00 31.45 C ATOM 1042 NE ARG A 71 29.924 17.297 -20.571 1.00 35.10 N ATOM 1043 CZ ARG A 71 31.110 16.951 -20.083 1.00 51.53 C ATOM 1044 NH1 ARG A 71 31.210 16.474 -18.850 1.00 41.05 N ATOM 1045 NH2 ARG A 71 32.199 17.083 -20.830 1.00 21.14 N ATOM 0 H ARG A 71 24.610 14.878 -20.088 1.00 15.34 H new ATOM 0 HA ARG A 71 26.464 16.122 -18.473 1.00 13.43 H new ATOM 0 HB2 ARG A 71 26.793 15.560 -20.848 1.00 44.24 H new ATOM 0 HB3 ARG A 71 25.609 16.762 -21.323 1.00 44.24 H new ATOM 0 HG2 ARG A 71 27.772 17.720 -21.692 1.00 24.22 H new ATOM 0 HG3 ARG A 71 27.081 18.538 -20.304 1.00 24.22 H new ATOM 0 HD2 ARG A 71 28.729 17.819 -18.934 1.00 31.45 H new ATOM 0 HD3 ARG A 71 28.555 16.160 -19.470 1.00 31.45 H new ATOM 0 HE ARG A 71 29.882 17.661 -21.523 1.00 35.10 H new ATOM 0 HH11 ARG A 71 30.375 16.372 -18.273 1.00 41.05 H new ATOM 0 HH12 ARG A 71 32.122 16.209 -18.478 1.00 41.05 H new ATOM 0 HH21 ARG A 71 32.125 17.450 -21.779 1.00 21.14 H new ATOM 0 HH22 ARG A 71 33.110 16.817 -20.455 1.00 21.14 H new ATOM 1059 N GLU A 72 24.369 18.388 -19.677 1.00 72.13 N ATOM 1060 CA GLU A 72 23.772 19.690 -19.405 1.00 2.24 C ATOM 1061 C GLU A 72 23.045 19.685 -18.063 1.00 1.31 C ATOM 1062 O GLU A 72 23.189 20.611 -17.264 1.00 0.11 O ATOM 1063 CB GLU A 72 22.801 20.075 -20.522 1.00 74.02 C ATOM 1064 CG GLU A 72 23.490 20.522 -21.801 1.00 33.33 C ATOM 1065 CD GLU A 72 22.522 20.692 -22.956 1.00 64.40 C ATOM 1066 OE1 GLU A 72 21.885 19.692 -23.349 1.00 11.43 O ATOM 1067 OE2 GLU A 72 22.403 21.825 -23.467 1.00 70.11 O ATOM 0 H GLU A 72 24.131 17.997 -20.588 1.00 72.13 H new ATOM 0 HA GLU A 72 24.574 20.427 -19.362 1.00 2.24 H new ATOM 0 HB2 GLU A 72 22.159 19.222 -20.744 1.00 74.02 H new ATOM 0 HB3 GLU A 72 22.154 20.878 -20.169 1.00 74.02 H new ATOM 0 HG2 GLU A 72 24.005 21.466 -21.621 1.00 33.33 H new ATOM 0 HG3 GLU A 72 24.251 19.791 -22.074 1.00 33.33 H new ATOM 1074 N ILE A 73 22.264 18.637 -17.824 1.00 2.32 N ATOM 1075 CA ILE A 73 21.515 18.511 -16.580 1.00 2.53 C ATOM 1076 C ILE A 73 22.433 18.649 -15.369 1.00 74.34 C ATOM 1077 O ILE A 73 22.097 19.325 -14.398 1.00 34.33 O ATOM 1078 CB ILE A 73 20.778 17.162 -16.501 1.00 31.45 C ATOM 1079 CG1 ILE A 73 19.779 17.033 -17.653 1.00 24.34 C ATOM 1080 CG2 ILE A 73 20.070 17.022 -15.161 1.00 3.41 C ATOM 1081 CD1 ILE A 73 18.635 18.019 -17.574 1.00 45.40 C ATOM 0 H ILE A 73 22.133 17.863 -18.475 1.00 2.32 H new ATOM 0 HA ILE A 73 20.781 19.317 -16.570 1.00 2.53 H new ATOM 0 HB ILE A 73 21.511 16.360 -16.588 1.00 31.45 H new ATOM 0 HG12 ILE A 73 20.305 17.174 -18.597 1.00 24.34 H new ATOM 0 HG13 ILE A 73 19.375 16.021 -17.662 1.00 24.34 H new ATOM 0 HG21 ILE A 73 19.554 16.063 -15.121 1.00 3.41 H new ATOM 0 HG22 ILE A 73 20.802 17.074 -14.355 1.00 3.41 H new ATOM 0 HG23 ILE A 73 19.346 17.829 -15.046 1.00 3.41 H new ATOM 0 HD11 ILE A 73 17.967 17.870 -18.422 1.00 45.40 H new ATOM 0 HD12 ILE A 73 18.084 17.864 -16.646 1.00 45.40 H new ATOM 0 HD13 ILE A 73 19.028 19.035 -17.596 1.00 45.40 H new ATOM 1093 N GLU A 74 23.593 18.004 -15.437 1.00 61.11 N ATOM 1094 CA GLU A 74 24.560 18.055 -14.346 1.00 54.45 C ATOM 1095 C GLU A 74 24.918 19.499 -14.005 1.00 30.22 C ATOM 1096 O GLU A 74 24.870 19.903 -12.843 1.00 62.24 O ATOM 1097 CB GLU A 74 25.824 17.279 -14.719 1.00 63.11 C ATOM 1098 CG GLU A 74 25.976 15.967 -13.968 1.00 61.45 C ATOM 1099 CD GLU A 74 26.178 16.166 -12.479 1.00 11.40 C ATOM 1100 OE1 GLU A 74 26.827 17.162 -12.096 1.00 31.11 O ATOM 1101 OE2 GLU A 74 25.686 15.326 -11.696 1.00 40.54 O ATOM 0 H GLU A 74 23.886 17.440 -16.235 1.00 61.11 H new ATOM 0 HA GLU A 74 24.106 17.594 -13.469 1.00 54.45 H new ATOM 0 HB2 GLU A 74 25.813 17.076 -15.790 1.00 63.11 H new ATOM 0 HB3 GLU A 74 26.695 17.904 -14.522 1.00 63.11 H new ATOM 0 HG2 GLU A 74 25.089 15.354 -14.132 1.00 61.45 H new ATOM 0 HG3 GLU A 74 26.824 15.416 -14.375 1.00 61.45 H new ATOM 1108 N MET A 75 25.277 20.271 -15.025 1.00 64.53 N ATOM 1109 CA MET A 75 25.643 21.669 -14.834 1.00 4.14 C ATOM 1110 C MET A 75 24.417 22.510 -14.492 1.00 24.11 C ATOM 1111 O MET A 75 24.529 23.558 -13.856 1.00 64.41 O ATOM 1112 CB MET A 75 26.319 22.219 -16.091 1.00 71.24 C ATOM 1113 CG MET A 75 27.417 21.319 -16.634 1.00 25.03 C ATOM 1114 SD MET A 75 28.807 22.249 -17.309 1.00 31.01 S ATOM 1115 CE MET A 75 29.918 22.265 -15.904 1.00 63.44 C ATOM 0 H MET A 75 25.322 19.952 -15.993 1.00 64.53 H new ATOM 0 HA MET A 75 26.344 21.724 -14.001 1.00 4.14 H new ATOM 0 HB2 MET A 75 25.565 22.366 -16.864 1.00 71.24 H new ATOM 0 HB3 MET A 75 26.741 23.199 -15.867 1.00 71.24 H new ATOM 0 HG2 MET A 75 27.774 20.667 -15.837 1.00 25.03 H new ATOM 0 HG3 MET A 75 27.003 20.676 -17.411 1.00 25.03 H new ATOM 0 HE1 MET A 75 30.827 22.806 -16.165 1.00 63.44 H new ATOM 0 HE2 MET A 75 29.432 22.757 -15.062 1.00 63.44 H new ATOM 0 HE3 MET A 75 30.171 21.241 -15.629 1.00 63.44 H new ATOM 1125 N ALA A 76 23.248 22.044 -14.919 1.00 2.04 N ATOM 1126 CA ALA A 76 22.002 22.753 -14.656 1.00 73.41 C ATOM 1127 C ALA A 76 21.692 22.784 -13.163 1.00 72.43 C ATOM 1128 O ALA A 76 21.162 23.769 -12.651 1.00 52.23 O ATOM 1129 CB ALA A 76 20.856 22.107 -15.422 1.00 23.14 C ATOM 0 H ALA A 76 23.138 21.179 -15.448 1.00 2.04 H new ATOM 0 HA ALA A 76 22.119 23.782 -14.997 1.00 73.41 H new ATOM 0 HB1 ALA A 76 19.931 22.646 -15.217 1.00 23.14 H new ATOM 0 HB2 ALA A 76 21.067 22.143 -16.491 1.00 23.14 H new ATOM 0 HB3 ALA A 76 20.748 21.069 -15.108 1.00 23.14 H new ATOM 1135 N GLN A 77 22.025 21.699 -12.472 1.00 21.32 N ATOM 1136 CA GLN A 77 21.780 21.602 -11.038 1.00 4.54 C ATOM 1137 C GLN A 77 22.365 22.805 -10.304 1.00 15.12 C ATOM 1138 O GLN A 77 21.631 23.631 -9.760 1.00 52.14 O ATOM 1139 CB GLN A 77 22.381 20.310 -10.482 1.00 31.01 C ATOM 1140 CG GLN A 77 21.457 19.109 -10.603 1.00 21.23 C ATOM 1141 CD GLN A 77 21.969 17.900 -9.844 1.00 12.43 C ATOM 1142 OE1 GLN A 77 22.697 18.034 -8.860 1.00 31.53 O ATOM 1143 NE2 GLN A 77 21.590 16.712 -10.298 1.00 33.41 N ATOM 0 H GLN A 77 22.465 20.875 -12.882 1.00 21.32 H new ATOM 0 HA GLN A 77 20.702 21.590 -10.879 1.00 4.54 H new ATOM 0 HB2 GLN A 77 23.312 20.096 -11.007 1.00 31.01 H new ATOM 0 HB3 GLN A 77 22.634 20.459 -9.432 1.00 31.01 H new ATOM 0 HG2 GLN A 77 20.469 19.376 -10.229 1.00 21.23 H new ATOM 0 HG3 GLN A 77 21.340 18.850 -11.655 1.00 21.23 H new ATOM 0 HE21 GLN A 77 20.986 16.648 -11.117 1.00 33.41 H new ATOM 0 HE22 GLN A 77 21.903 15.863 -9.828 1.00 33.41 H new ATOM 1152 N LYS A 78 23.690 22.898 -10.291 1.00 70.33 N ATOM 1153 CA LYS A 78 24.374 24.000 -9.625 1.00 62.52 C ATOM 1154 C LYS A 78 23.820 25.343 -10.087 1.00 52.24 C ATOM 1155 O LYS A 78 23.718 26.287 -9.303 1.00 2.50 O ATOM 1156 CB LYS A 78 25.878 23.934 -9.901 1.00 1.21 C ATOM 1157 CG LYS A 78 26.733 24.144 -8.663 1.00 61.30 C ATOM 1158 CD LYS A 78 27.975 24.962 -8.975 1.00 13.21 C ATOM 1159 CE LYS A 78 29.146 24.555 -8.094 1.00 43.15 C ATOM 1160 NZ LYS A 78 30.283 25.510 -8.208 1.00 24.10 N ATOM 0 H LYS A 78 24.312 22.223 -10.735 1.00 70.33 H new ATOM 0 HA LYS A 78 24.203 23.906 -8.553 1.00 62.52 H new ATOM 0 HB2 LYS A 78 26.117 22.964 -10.337 1.00 1.21 H new ATOM 0 HB3 LYS A 78 26.136 24.689 -10.643 1.00 1.21 H new ATOM 0 HG2 LYS A 78 26.146 24.650 -7.896 1.00 61.30 H new ATOM 0 HG3 LYS A 78 27.026 23.177 -8.254 1.00 61.30 H new ATOM 0 HD2 LYS A 78 28.244 24.831 -10.023 1.00 13.21 H new ATOM 0 HD3 LYS A 78 27.760 26.021 -8.831 1.00 13.21 H new ATOM 0 HE2 LYS A 78 28.818 24.502 -7.056 1.00 43.15 H new ATOM 0 HE3 LYS A 78 29.481 23.556 -8.374 1.00 43.15 H new ATOM 0 HZ1 LYS A 78 31.061 25.198 -7.593 1.00 24.10 H new ATOM 0 HZ2 LYS A 78 30.612 25.542 -9.194 1.00 24.10 H new ATOM 0 HZ3 LYS A 78 29.970 26.458 -7.917 1.00 24.10 H new ATOM 1174 N LEU A 79 23.461 25.422 -11.364 1.00 42.41 N ATOM 1175 CA LEU A 79 22.915 26.651 -11.931 1.00 20.24 C ATOM 1176 C LEU A 79 21.727 27.146 -11.113 1.00 14.22 C ATOM 1177 O LEU A 79 21.728 28.273 -10.616 1.00 54.42 O ATOM 1178 CB LEU A 79 22.490 26.421 -13.382 1.00 12.30 C ATOM 1179 CG LEU A 79 22.773 27.567 -14.354 1.00 4.43 C ATOM 1180 CD1 LEU A 79 24.272 27.776 -14.510 1.00 54.21 C ATOM 1181 CD2 LEU A 79 22.127 27.294 -15.704 1.00 63.10 C ATOM 0 H LEU A 79 23.538 24.650 -12.026 1.00 42.41 H new ATOM 0 HA LEU A 79 23.694 27.413 -11.904 1.00 20.24 H new ATOM 0 HB2 LEU A 79 22.993 25.527 -13.750 1.00 12.30 H new ATOM 0 HB3 LEU A 79 21.420 26.214 -13.398 1.00 12.30 H new ATOM 0 HG LEU A 79 22.340 28.480 -13.945 1.00 4.43 H new ATOM 0 HD11 LEU A 79 24.455 28.595 -15.205 1.00 54.21 H new ATOM 0 HD12 LEU A 79 24.708 28.018 -13.541 1.00 54.21 H new ATOM 0 HD13 LEU A 79 24.728 26.864 -14.896 1.00 54.21 H new ATOM 0 HD21 LEU A 79 22.339 28.120 -16.383 1.00 63.10 H new ATOM 0 HD22 LEU A 79 22.530 26.370 -16.120 1.00 63.10 H new ATOM 0 HD23 LEU A 79 21.049 27.196 -15.578 1.00 63.10 H new ATOM 1193 N LEU A 80 20.715 26.297 -10.975 1.00 32.42 N ATOM 1194 CA LEU A 80 19.520 26.647 -10.215 1.00 31.33 C ATOM 1195 C LEU A 80 19.888 27.155 -8.825 1.00 4.24 C ATOM 1196 O LEU A 80 19.315 28.128 -8.337 1.00 34.24 O ATOM 1197 CB LEU A 80 18.593 25.436 -10.098 1.00 73.31 C ATOM 1198 CG LEU A 80 17.427 25.385 -11.087 1.00 24.21 C ATOM 1199 CD1 LEU A 80 17.931 25.534 -12.514 1.00 25.11 C ATOM 1200 CD2 LEU A 80 16.649 24.087 -10.927 1.00 53.22 C ATOM 0 H LEU A 80 20.698 25.361 -11.380 1.00 32.42 H new ATOM 0 HA LEU A 80 19.001 27.444 -10.748 1.00 31.33 H new ATOM 0 HB2 LEU A 80 19.190 24.533 -10.224 1.00 73.31 H new ATOM 0 HB3 LEU A 80 18.187 25.411 -9.087 1.00 73.31 H new ATOM 0 HG LEU A 80 16.756 26.217 -10.872 1.00 24.21 H new ATOM 0 HD11 LEU A 80 17.088 25.495 -13.204 1.00 25.11 H new ATOM 0 HD12 LEU A 80 18.444 26.490 -12.621 1.00 25.11 H new ATOM 0 HD13 LEU A 80 18.623 24.724 -12.742 1.00 25.11 H new ATOM 0 HD21 LEU A 80 15.823 24.068 -11.638 1.00 53.22 H new ATOM 0 HD22 LEU A 80 17.310 23.241 -11.115 1.00 53.22 H new ATOM 0 HD23 LEU A 80 16.256 24.021 -9.913 1.00 53.22 H new ATOM 1212 N ASN A 81 20.851 26.491 -8.193 1.00 42.23 N ATOM 1213 CA ASN A 81 21.298 26.877 -6.860 1.00 12.04 C ATOM 1214 C ASN A 81 21.648 28.361 -6.811 1.00 52.24 C ATOM 1215 O ASN A 81 20.998 29.140 -6.115 1.00 13.53 O ATOM 1216 CB ASN A 81 22.510 26.042 -6.444 1.00 24.23 C ATOM 1217 CG ASN A 81 22.311 25.361 -5.104 1.00 21.44 C ATOM 1218 OD1 ASN A 81 23.104 25.541 -4.179 1.00 14.10 O ATOM 1219 ND2 ASN A 81 21.248 24.572 -4.993 1.00 42.31 N ATOM 0 H ASN A 81 21.336 25.683 -8.583 1.00 42.23 H new ATOM 0 HA ASN A 81 20.481 26.692 -6.163 1.00 12.04 H new ATOM 0 HB2 ASN A 81 22.707 25.288 -7.206 1.00 24.23 H new ATOM 0 HB3 ASN A 81 23.390 26.683 -6.395 1.00 24.23 H new ATOM 0 HD21 ASN A 81 21.063 24.086 -4.115 1.00 42.31 H new ATOM 0 HD22 ASN A 81 20.617 24.452 -5.785 1.00 42.31 H new ATOM 1226 N SER A 82 22.679 28.745 -7.557 1.00 40.01 N ATOM 1227 CA SER A 82 23.118 30.135 -7.597 1.00 51.03 C ATOM 1228 C SER A 82 21.953 31.063 -7.928 1.00 10.24 C ATOM 1229 O SER A 82 21.778 32.106 -7.297 1.00 73.00 O ATOM 1230 CB SER A 82 24.233 30.310 -8.630 1.00 10.20 C ATOM 1231 OG SER A 82 25.112 31.358 -8.259 1.00 22.45 O ATOM 0 H SER A 82 23.226 28.113 -8.142 1.00 40.01 H new ATOM 0 HA SER A 82 23.501 30.398 -6.611 1.00 51.03 H new ATOM 0 HB2 SER A 82 24.792 29.379 -8.727 1.00 10.20 H new ATOM 0 HB3 SER A 82 23.798 30.524 -9.606 1.00 10.20 H new ATOM 0 HG SER A 82 25.816 31.449 -8.934 1.00 22.45 H new ATOM 1237 N ASP A 83 21.160 30.676 -8.920 1.00 53.13 N ATOM 1238 CA ASP A 83 20.010 31.472 -9.335 1.00 61.21 C ATOM 1239 C ASP A 83 19.125 31.811 -8.140 1.00 53.52 C ATOM 1240 O ASP A 83 18.712 32.959 -7.966 1.00 75.23 O ATOM 1241 CB ASP A 83 19.197 30.721 -10.391 1.00 23.21 C ATOM 1242 CG ASP A 83 19.837 30.780 -11.764 1.00 61.40 C ATOM 1243 OD1 ASP A 83 20.353 31.856 -12.132 1.00 73.42 O ATOM 1244 OD2 ASP A 83 19.822 29.750 -12.471 1.00 35.01 O ATOM 0 H ASP A 83 21.292 29.816 -9.452 1.00 53.13 H new ATOM 0 HA ASP A 83 20.380 32.402 -9.766 1.00 61.21 H new ATOM 0 HB2 ASP A 83 19.088 29.679 -10.089 1.00 23.21 H new ATOM 0 HB3 ASP A 83 18.194 31.145 -10.442 1.00 23.21 H new ATOM 1249 N LEU A 84 18.836 30.807 -7.320 1.00 50.20 N ATOM 1250 CA LEU A 84 17.998 30.999 -6.141 1.00 62.32 C ATOM 1251 C LEU A 84 18.536 32.129 -5.269 1.00 74.20 C ATOM 1252 O LEU A 84 17.836 33.105 -5.000 1.00 42.03 O ATOM 1253 CB LEU A 84 17.922 29.704 -5.329 1.00 44.54 C ATOM 1254 CG LEU A 84 17.195 29.795 -3.988 1.00 13.44 C ATOM 1255 CD1 LEU A 84 15.732 30.154 -4.197 1.00 74.32 C ATOM 1256 CD2 LEU A 84 17.321 28.486 -3.223 1.00 32.03 C ATOM 0 H LEU A 84 19.169 29.852 -7.449 1.00 50.20 H new ATOM 0 HA LEU A 84 16.997 31.269 -6.477 1.00 62.32 H new ATOM 0 HB2 LEU A 84 17.428 28.946 -5.937 1.00 44.54 H new ATOM 0 HB3 LEU A 84 18.938 29.353 -5.146 1.00 44.54 H new ATOM 0 HG LEU A 84 17.660 30.584 -3.397 1.00 13.44 H new ATOM 0 HD11 LEU A 84 15.231 30.214 -3.231 1.00 74.32 H new ATOM 0 HD12 LEU A 84 15.662 31.117 -4.703 1.00 74.32 H new ATOM 0 HD13 LEU A 84 15.253 29.388 -4.807 1.00 74.32 H new ATOM 0 HD21 LEU A 84 16.797 28.569 -2.271 1.00 32.03 H new ATOM 0 HD22 LEU A 84 16.882 27.678 -3.809 1.00 32.03 H new ATOM 0 HD23 LEU A 84 18.374 28.271 -3.040 1.00 32.03 H new ATOM 1268 N ALA A 85 19.783 31.990 -4.832 1.00 31.12 N ATOM 1269 CA ALA A 85 20.416 33.001 -3.994 1.00 33.12 C ATOM 1270 C ALA A 85 20.293 34.387 -4.618 1.00 72.30 C ATOM 1271 O ALA A 85 20.116 35.380 -3.914 1.00 44.52 O ATOM 1272 CB ALA A 85 21.878 32.653 -3.760 1.00 64.15 C ATOM 0 H ALA A 85 20.375 31.187 -5.044 1.00 31.12 H new ATOM 0 HA ALA A 85 19.900 33.017 -3.034 1.00 33.12 H new ATOM 0 HB1 ALA A 85 22.338 33.417 -3.133 1.00 64.15 H new ATOM 0 HB2 ALA A 85 21.947 31.685 -3.263 1.00 64.15 H new ATOM 0 HB3 ALA A 85 22.399 32.607 -4.716 1.00 64.15 H new ATOM 1278 N GLU A 86 20.388 34.445 -5.943 1.00 32.32 N ATOM 1279 CA GLU A 86 20.289 35.710 -6.660 1.00 54.24 C ATOM 1280 C GLU A 86 18.898 36.319 -6.501 1.00 22.42 C ATOM 1281 O GLU A 86 18.756 37.525 -6.297 1.00 54.05 O ATOM 1282 CB GLU A 86 20.601 35.506 -8.144 1.00 52.24 C ATOM 1283 CG GLU A 86 21.806 36.296 -8.627 1.00 55.31 C ATOM 1284 CD GLU A 86 21.446 37.708 -9.050 1.00 25.34 C ATOM 1285 OE1 GLU A 86 20.380 37.888 -9.673 1.00 72.32 O ATOM 1286 OE2 GLU A 86 22.233 38.632 -8.756 1.00 11.42 O ATOM 0 H GLU A 86 20.533 33.631 -6.541 1.00 32.32 H new ATOM 0 HA GLU A 86 21.019 36.398 -6.233 1.00 54.24 H new ATOM 0 HB2 GLU A 86 20.775 34.446 -8.328 1.00 52.24 H new ATOM 0 HB3 GLU A 86 19.730 35.793 -8.733 1.00 52.24 H new ATOM 0 HG2 GLU A 86 22.551 36.337 -7.832 1.00 55.31 H new ATOM 0 HG3 GLU A 86 22.265 35.775 -9.467 1.00 55.31 H new ATOM 1293 N LEU A 87 17.876 35.476 -6.595 1.00 71.41 N ATOM 1294 CA LEU A 87 16.496 35.929 -6.462 1.00 33.12 C ATOM 1295 C LEU A 87 16.227 36.448 -5.053 1.00 54.11 C ATOM 1296 O LEU A 87 15.842 37.603 -4.870 1.00 12.42 O ATOM 1297 CB LEU A 87 15.530 34.789 -6.791 1.00 12.32 C ATOM 1298 CG LEU A 87 15.752 34.087 -8.131 1.00 20.23 C ATOM 1299 CD1 LEU A 87 15.395 32.612 -8.026 1.00 50.30 C ATOM 1300 CD2 LEU A 87 14.937 34.758 -9.226 1.00 42.35 C ATOM 0 H LEU A 87 17.977 34.475 -6.763 1.00 71.41 H new ATOM 0 HA LEU A 87 16.338 36.745 -7.167 1.00 33.12 H new ATOM 0 HB2 LEU A 87 15.595 34.044 -5.998 1.00 12.32 H new ATOM 0 HB3 LEU A 87 14.514 35.184 -6.774 1.00 12.32 H new ATOM 0 HG LEU A 87 16.808 34.167 -8.391 1.00 20.23 H new ATOM 0 HD11 LEU A 87 15.559 32.128 -8.989 1.00 50.30 H new ATOM 0 HD12 LEU A 87 16.022 32.139 -7.271 1.00 50.30 H new ATOM 0 HD13 LEU A 87 14.347 32.510 -7.743 1.00 50.30 H new ATOM 0 HD21 LEU A 87 15.107 34.245 -10.173 1.00 42.35 H new ATOM 0 HD22 LEU A 87 13.878 34.710 -8.973 1.00 42.35 H new ATOM 0 HD23 LEU A 87 15.241 35.801 -9.319 1.00 42.35 H new ATOM 1312 N ILE A 88 16.434 35.588 -4.062 1.00 14.14 N ATOM 1313 CA ILE A 88 16.217 35.961 -2.669 1.00 55.34 C ATOM 1314 C ILE A 88 16.969 37.240 -2.319 1.00 43.44 C ATOM 1315 O ILE A 88 16.548 38.003 -1.451 1.00 33.21 O ATOM 1316 CB ILE A 88 16.658 34.840 -1.711 1.00 5.15 C ATOM 1317 CG1 ILE A 88 15.935 33.535 -2.049 1.00 11.11 C ATOM 1318 CG2 ILE A 88 16.391 35.241 -0.268 1.00 3.45 C ATOM 1319 CD1 ILE A 88 16.327 32.378 -1.157 1.00 62.12 C ATOM 0 H ILE A 88 16.752 34.628 -4.197 1.00 14.14 H new ATOM 0 HA ILE A 88 15.146 36.128 -2.550 1.00 55.34 H new ATOM 0 HB ILE A 88 17.730 34.681 -1.832 1.00 5.15 H new ATOM 0 HG12 ILE A 88 14.860 33.695 -1.972 1.00 11.11 H new ATOM 0 HG13 ILE A 88 16.144 33.271 -3.086 1.00 11.11 H new ATOM 0 HG21 ILE A 88 16.708 34.438 0.397 1.00 3.45 H new ATOM 0 HG22 ILE A 88 16.948 36.148 -0.033 1.00 3.45 H new ATOM 0 HG23 ILE A 88 15.325 35.425 -0.133 1.00 3.45 H new ATOM 0 HD11 ILE A 88 15.775 31.486 -1.454 1.00 62.12 H new ATOM 0 HD12 ILE A 88 17.397 32.192 -1.252 1.00 62.12 H new ATOM 0 HD13 ILE A 88 16.092 32.621 -0.121 1.00 62.12 H new ATOM 1331 N ASN A 89 18.086 37.469 -3.003 1.00 53.43 N ATOM 1332 CA ASN A 89 18.897 38.658 -2.766 1.00 25.53 C ATOM 1333 C ASN A 89 18.114 39.926 -3.090 1.00 34.33 C ATOM 1334 O ASN A 89 17.921 40.787 -2.231 1.00 20.41 O ATOM 1335 CB ASN A 89 20.174 38.605 -3.607 1.00 24.21 C ATOM 1336 CG ASN A 89 21.136 39.728 -3.269 1.00 22.51 C ATOM 1337 OD1 ASN A 89 21.208 40.175 -2.124 1.00 63.51 O ATOM 1338 ND2 ASN A 89 21.881 40.189 -4.267 1.00 31.01 N ATOM 0 H ASN A 89 18.450 36.847 -3.725 1.00 53.43 H new ATOM 0 HA ASN A 89 19.165 38.679 -1.710 1.00 25.53 H new ATOM 0 HB2 ASN A 89 20.669 37.647 -3.451 1.00 24.21 H new ATOM 0 HB3 ASN A 89 19.912 38.660 -4.664 1.00 24.21 H new ATOM 0 HD21 ASN A 89 22.546 40.944 -4.100 1.00 31.01 H new ATOM 0 HD22 ASN A 89 21.788 39.788 -5.200 1.00 31.01 H new ATOM 1345 N LYS A 90 17.663 40.034 -4.335 1.00 32.11 N ATOM 1346 CA LYS A 90 16.898 41.195 -4.774 1.00 11.00 C ATOM 1347 C LYS A 90 15.728 41.464 -3.832 1.00 65.03 C ATOM 1348 O LYS A 90 15.456 42.611 -3.479 1.00 35.44 O ATOM 1349 CB LYS A 90 16.381 40.982 -6.198 1.00 72.15 C ATOM 1350 CG LYS A 90 17.482 40.735 -7.215 1.00 22.12 C ATOM 1351 CD LYS A 90 18.019 42.038 -7.783 1.00 23.13 C ATOM 1352 CE LYS A 90 19.062 41.788 -8.861 1.00 63.22 C ATOM 1353 NZ LYS A 90 20.355 41.325 -8.286 1.00 5.25 N ATOM 0 H LYS A 90 17.814 39.331 -5.058 1.00 32.11 H new ATOM 0 HA LYS A 90 17.560 42.061 -4.760 1.00 11.00 H new ATOM 0 HB2 LYS A 90 15.696 40.134 -6.204 1.00 72.15 H new ATOM 0 HB3 LYS A 90 15.807 41.857 -6.502 1.00 72.15 H new ATOM 0 HG2 LYS A 90 18.294 40.180 -6.746 1.00 22.12 H new ATOM 0 HG3 LYS A 90 17.098 40.115 -8.025 1.00 22.12 H new ATOM 0 HD2 LYS A 90 17.197 42.621 -8.199 1.00 23.13 H new ATOM 0 HD3 LYS A 90 18.458 42.632 -6.981 1.00 23.13 H new ATOM 0 HE2 LYS A 90 18.688 41.041 -9.562 1.00 63.22 H new ATOM 0 HE3 LYS A 90 19.224 42.704 -9.428 1.00 63.22 H new ATOM 0 HZ1 LYS A 90 21.039 41.166 -9.053 1.00 5.25 H new ATOM 0 HZ2 LYS A 90 20.725 42.048 -7.637 1.00 5.25 H new ATOM 0 HZ3 LYS A 90 20.205 40.437 -7.766 1.00 5.25 H new ATOM 1367 N MET A 91 15.042 40.400 -3.429 1.00 64.50 N ATOM 1368 CA MET A 91 13.904 40.522 -2.526 1.00 20.32 C ATOM 1369 C MET A 91 14.300 41.254 -1.247 1.00 64.45 C ATOM 1370 O MET A 91 13.595 42.154 -0.791 1.00 65.02 O ATOM 1371 CB MET A 91 13.346 39.139 -2.184 1.00 25.24 C ATOM 1372 CG MET A 91 11.984 39.182 -1.511 1.00 2.34 C ATOM 1373 SD MET A 91 11.894 38.121 -0.055 1.00 43.53 S ATOM 1374 CE MET A 91 13.002 38.981 1.059 1.00 14.34 C ATOM 0 H MET A 91 15.254 39.444 -3.713 1.00 64.50 H new ATOM 0 HA MET A 91 13.132 41.102 -3.031 1.00 20.32 H new ATOM 0 HB2 MET A 91 13.272 38.550 -3.098 1.00 25.24 H new ATOM 0 HB3 MET A 91 14.049 38.624 -1.529 1.00 25.24 H new ATOM 0 HG2 MET A 91 11.758 40.208 -1.222 1.00 2.34 H new ATOM 0 HG3 MET A 91 11.220 38.877 -2.226 1.00 2.34 H new ATOM 0 HE1 MET A 91 13.916 38.400 1.184 1.00 14.34 H new ATOM 0 HE2 MET A 91 13.248 39.959 0.645 1.00 14.34 H new ATOM 0 HE3 MET A 91 12.518 39.108 2.027 1.00 14.34 H new ATOM 1384 N LYS A 92 15.433 40.861 -0.673 1.00 54.33 N ATOM 1385 CA LYS A 92 15.924 41.480 0.552 1.00 0.11 C ATOM 1386 C LYS A 92 16.102 42.984 0.369 1.00 63.14 C ATOM 1387 O LYS A 92 15.877 43.764 1.295 1.00 23.32 O ATOM 1388 CB LYS A 92 17.252 40.846 0.971 1.00 22.31 C ATOM 1389 CG LYS A 92 17.108 39.434 1.512 1.00 71.32 C ATOM 1390 CD LYS A 92 17.141 39.412 3.031 1.00 43.12 C ATOM 1391 CE LYS A 92 17.176 37.989 3.567 1.00 11.44 C ATOM 1392 NZ LYS A 92 15.840 37.549 4.057 1.00 64.41 N ATOM 0 H LYS A 92 16.028 40.117 -1.037 1.00 54.33 H new ATOM 0 HA LYS A 92 15.185 41.312 1.335 1.00 0.11 H new ATOM 0 HB2 LYS A 92 17.924 40.831 0.113 1.00 22.31 H new ATOM 0 HB3 LYS A 92 17.720 41.471 1.731 1.00 22.31 H new ATOM 0 HG2 LYS A 92 16.170 39.003 1.161 1.00 71.32 H new ATOM 0 HG3 LYS A 92 17.911 38.810 1.121 1.00 71.32 H new ATOM 0 HD2 LYS A 92 18.016 39.957 3.385 1.00 43.12 H new ATOM 0 HD3 LYS A 92 16.264 39.928 3.423 1.00 43.12 H new ATOM 0 HE2 LYS A 92 17.516 37.313 2.782 1.00 11.44 H new ATOM 0 HE3 LYS A 92 17.900 37.924 4.379 1.00 11.44 H new ATOM 0 HZ1 LYS A 92 15.956 36.744 4.705 1.00 64.41 H new ATOM 0 HZ2 LYS A 92 15.379 38.334 4.559 1.00 64.41 H new ATOM 0 HZ3 LYS A 92 15.252 37.261 3.249 1.00 64.41 H new ATOM 1406 N LEU A 93 16.506 43.385 -0.832 1.00 23.13 N ATOM 1407 CA LEU A 93 16.713 44.796 -1.137 1.00 42.32 C ATOM 1408 C LEU A 93 15.381 45.507 -1.357 1.00 64.33 C ATOM 1409 O LEU A 93 15.041 46.445 -0.638 1.00 31.05 O ATOM 1410 CB LEU A 93 17.595 44.946 -2.378 1.00 61.21 C ATOM 1411 CG LEU A 93 18.895 44.140 -2.379 1.00 12.32 C ATOM 1412 CD1 LEU A 93 19.279 43.748 -3.797 1.00 33.30 C ATOM 1413 CD2 LEU A 93 20.014 44.934 -1.722 1.00 5.14 C ATOM 0 H LEU A 93 16.696 42.753 -1.610 1.00 23.13 H new ATOM 0 HA LEU A 93 17.213 45.257 -0.285 1.00 42.32 H new ATOM 0 HB2 LEU A 93 17.011 44.657 -3.252 1.00 61.21 H new ATOM 0 HB3 LEU A 93 17.845 46.000 -2.497 1.00 61.21 H new ATOM 0 HG LEU A 93 18.736 43.229 -1.803 1.00 12.32 H new ATOM 0 HD11 LEU A 93 20.206 43.175 -3.778 1.00 33.30 H new ATOM 0 HD12 LEU A 93 18.486 43.141 -4.234 1.00 33.30 H new ATOM 0 HD13 LEU A 93 19.420 44.647 -4.397 1.00 33.30 H new ATOM 0 HD21 LEU A 93 20.932 44.346 -1.731 1.00 5.14 H new ATOM 0 HD22 LEU A 93 20.172 45.862 -2.271 1.00 5.14 H new ATOM 0 HD23 LEU A 93 19.741 45.164 -0.692 1.00 5.14 H new ATOM 1425 N ALA A 94 14.631 45.051 -2.355 1.00 45.24 N ATOM 1426 CA ALA A 94 13.335 45.640 -2.667 1.00 42.24 C ATOM 1427 C ALA A 94 12.427 45.649 -1.442 1.00 42.33 C ATOM 1428 O ALA A 94 11.517 46.471 -1.340 1.00 52.01 O ATOM 1429 CB ALA A 94 12.674 44.885 -3.811 1.00 40.41 C ATOM 0 H ALA A 94 14.899 44.276 -2.961 1.00 45.24 H new ATOM 0 HA ALA A 94 13.497 46.673 -2.974 1.00 42.24 H new ATOM 0 HB1 ALA A 94 11.707 45.336 -4.034 1.00 40.41 H new ATOM 0 HB2 ALA A 94 13.310 44.935 -4.695 1.00 40.41 H new ATOM 0 HB3 ALA A 94 12.532 43.843 -3.525 1.00 40.41 H new ATOM 1435 N GLN A 95 12.681 44.730 -0.516 1.00 42.24 N ATOM 1436 CA GLN A 95 11.885 44.633 0.701 1.00 33.31 C ATOM 1437 C GLN A 95 12.092 45.857 1.587 1.00 64.40 C ATOM 1438 O GLN A 95 11.149 46.358 2.198 1.00 5.51 O ATOM 1439 CB GLN A 95 12.247 43.363 1.473 1.00 63.55 C ATOM 1440 CG GLN A 95 11.392 42.161 1.104 1.00 54.55 C ATOM 1441 CD GLN A 95 10.592 41.632 2.278 1.00 62.44 C ATOM 1442 OE1 GLN A 95 9.362 41.684 2.280 1.00 10.01 O ATOM 1443 NE2 GLN A 95 11.289 41.117 3.284 1.00 33.13 N ATOM 0 H GLN A 95 13.431 44.043 -0.586 1.00 42.24 H new ATOM 0 HA GLN A 95 10.834 44.589 0.414 1.00 33.31 H new ATOM 0 HB2 GLN A 95 13.294 43.123 1.290 1.00 63.55 H new ATOM 0 HB3 GLN A 95 12.146 43.556 2.541 1.00 63.55 H new ATOM 0 HG2 GLN A 95 10.710 42.438 0.300 1.00 54.55 H new ATOM 0 HG3 GLN A 95 12.033 41.368 0.719 1.00 54.55 H new ATOM 0 HE21 GLN A 95 12.308 41.094 3.240 1.00 33.13 H new ATOM 0 HE22 GLN A 95 10.806 40.744 4.101 1.00 33.13 H new ATOM 1452 N GLN A 96 13.332 46.331 1.651 1.00 23.13 N ATOM 1453 CA GLN A 96 13.663 47.496 2.464 1.00 70.42 C ATOM 1454 C GLN A 96 13.597 48.774 1.635 1.00 52.10 C ATOM 1455 O GLN A 96 13.478 49.873 2.178 1.00 32.43 O ATOM 1456 CB GLN A 96 15.058 47.340 3.072 1.00 33.14 C ATOM 1457 CG GLN A 96 16.183 47.690 2.112 1.00 0.23 C ATOM 1458 CD GLN A 96 16.806 49.040 2.411 1.00 60.41 C ATOM 1459 OE1 GLN A 96 16.179 50.082 2.220 1.00 33.20 O ATOM 1460 NE2 GLN A 96 18.047 49.027 2.882 1.00 3.55 N ATOM 0 H GLN A 96 14.123 45.927 1.150 1.00 23.13 H new ATOM 0 HA GLN A 96 12.930 47.567 3.268 1.00 70.42 H new ATOM 0 HB2 GLN A 96 15.134 47.975 3.954 1.00 33.14 H new ATOM 0 HB3 GLN A 96 15.186 46.311 3.408 1.00 33.14 H new ATOM 0 HG2 GLN A 96 16.952 46.920 2.163 1.00 0.23 H new ATOM 0 HG3 GLN A 96 15.799 47.689 1.092 1.00 0.23 H new ATOM 0 HE21 GLN A 96 18.529 48.139 3.025 1.00 3.55 H new ATOM 0 HE22 GLN A 96 18.519 49.905 3.101 1.00 3.55 H new ATOM 1469 N TYR A 97 13.675 48.624 0.318 1.00 60.35 N ATOM 1470 CA TYR A 97 13.627 49.767 -0.586 1.00 71.34 C ATOM 1471 C TYR A 97 12.235 49.926 -1.190 1.00 33.40 C ATOM 1472 O TYR A 97 12.088 50.314 -2.349 1.00 62.10 O ATOM 1473 CB TYR A 97 14.663 49.606 -1.701 1.00 14.45 C ATOM 1474 CG TYR A 97 16.076 49.915 -1.262 1.00 43.30 C ATOM 1475 CD1 TYR A 97 16.477 51.221 -1.009 1.00 53.40 C ATOM 1476 CD2 TYR A 97 17.011 48.900 -1.100 1.00 5.52 C ATOM 1477 CE1 TYR A 97 17.767 51.508 -0.609 1.00 44.10 C ATOM 1478 CE2 TYR A 97 18.304 49.178 -0.699 1.00 21.33 C ATOM 1479 CZ TYR A 97 18.677 50.483 -0.455 1.00 63.00 C ATOM 1480 OH TYR A 97 19.964 50.764 -0.055 1.00 53.33 O ATOM 0 H TYR A 97 13.772 47.722 -0.148 1.00 60.35 H new ATOM 0 HA TYR A 97 13.858 50.663 -0.010 1.00 71.34 H new ATOM 0 HB2 TYR A 97 14.624 48.584 -2.078 1.00 14.45 H new ATOM 0 HB3 TYR A 97 14.397 50.262 -2.530 1.00 14.45 H new ATOM 0 HD1 TYR A 97 15.767 52.026 -1.127 1.00 53.40 H new ATOM 0 HD2 TYR A 97 16.723 47.877 -1.291 1.00 5.52 H new ATOM 0 HE1 TYR A 97 18.062 52.529 -0.418 1.00 44.10 H new ATOM 0 HE2 TYR A 97 19.019 48.377 -0.577 1.00 21.33 H new ATOM 0 HH TYR A 97 20.477 49.931 0.006 1.00 53.33 H new ATOM 1490 N VAL A 98 11.214 49.623 -0.394 1.00 72.13 N ATOM 1491 CA VAL A 98 9.832 49.733 -0.847 1.00 44.35 C ATOM 1492 C VAL A 98 9.122 50.898 -0.166 1.00 70.54 C ATOM 1493 O VAL A 98 8.251 51.537 -0.756 1.00 21.32 O ATOM 1494 CB VAL A 98 9.047 48.437 -0.575 1.00 21.41 C ATOM 1495 CG1 VAL A 98 9.019 48.133 0.915 1.00 34.42 C ATOM 1496 CG2 VAL A 98 7.636 48.542 -1.133 1.00 72.31 C ATOM 0 H VAL A 98 11.318 49.299 0.568 1.00 72.13 H new ATOM 0 HA VAL A 98 9.864 49.909 -1.922 1.00 44.35 H new ATOM 0 HB VAL A 98 9.552 47.614 -1.080 1.00 21.41 H new ATOM 0 HG11 VAL A 98 8.460 47.214 1.088 1.00 34.42 H new ATOM 0 HG12 VAL A 98 10.039 48.012 1.281 1.00 34.42 H new ATOM 0 HG13 VAL A 98 8.538 48.955 1.445 1.00 34.42 H new ATOM 0 HG21 VAL A 98 7.095 47.617 -0.932 1.00 72.31 H new ATOM 0 HG22 VAL A 98 7.118 49.376 -0.659 1.00 72.31 H new ATOM 0 HG23 VAL A 98 7.682 48.709 -2.209 1.00 72.31 H new ATOM 1506 N MET A 99 9.500 51.168 1.079 1.00 63.43 N ATOM 1507 CA MET A 99 8.900 52.257 1.840 1.00 1.00 C ATOM 1508 C MET A 99 9.421 53.608 1.359 1.00 31.33 C ATOM 1509 O MET A 99 8.869 54.655 1.699 1.00 21.14 O ATOM 1510 CB MET A 99 9.192 52.086 3.332 1.00 0.41 C ATOM 1511 CG MET A 99 8.384 53.019 4.220 1.00 61.11 C ATOM 1512 SD MET A 99 9.418 53.977 5.344 1.00 44.33 S ATOM 1513 CE MET A 99 10.420 54.899 4.179 1.00 32.02 C ATOM 0 H MET A 99 10.219 50.648 1.582 1.00 63.43 H new ATOM 0 HA MET A 99 7.822 52.227 1.682 1.00 1.00 H new ATOM 0 HB2 MET A 99 8.985 51.055 3.619 1.00 0.41 H new ATOM 0 HB3 MET A 99 10.254 52.259 3.508 1.00 0.41 H new ATOM 0 HG2 MET A 99 7.806 53.700 3.595 1.00 61.11 H new ATOM 0 HG3 MET A 99 7.669 52.434 4.799 1.00 61.11 H new ATOM 0 HE1 MET A 99 11.172 55.473 4.720 1.00 32.02 H new ATOM 0 HE2 MET A 99 10.913 54.207 3.496 1.00 32.02 H new ATOM 0 HE3 MET A 99 9.785 55.578 3.611 1.00 32.02 H new ATOM 1523 N THR A 100 10.488 53.578 0.566 1.00 35.31 N ATOM 1524 CA THR A 100 11.084 54.799 0.040 1.00 15.21 C ATOM 1525 C THR A 100 10.388 55.243 -1.242 1.00 32.33 C ATOM 1526 O THR A 100 9.587 56.178 -1.233 1.00 64.12 O ATOM 1527 CB THR A 100 12.586 54.614 -0.242 1.00 44.55 C ATOM 1528 OG1 THR A 100 12.849 53.261 -0.630 1.00 4.22 O ATOM 1529 CG2 THR A 100 13.415 54.966 0.984 1.00 51.41 C ATOM 0 H THR A 100 10.957 52.720 0.274 1.00 35.31 H new ATOM 0 HA THR A 100 10.957 55.567 0.803 1.00 15.21 H new ATOM 0 HB THR A 100 12.865 55.285 -1.054 1.00 44.55 H new ATOM 0 HG1 THR A 100 13.806 53.152 -0.809 1.00 4.22 H new ATOM 0 HG21 THR A 100 14.473 54.827 0.760 1.00 51.41 H new ATOM 0 HG22 THR A 100 13.235 56.005 1.258 1.00 51.41 H new ATOM 0 HG23 THR A 100 13.132 54.318 1.813 1.00 51.41 H new ATOM 1537 N SER A 101 10.697 54.565 -2.342 1.00 45.25 N ATOM 1538 CA SER A 101 10.104 54.892 -3.634 1.00 33.14 C ATOM 1539 C SER A 101 10.678 54.007 -4.735 1.00 61.54 C ATOM 1540 O SER A 101 9.988 53.664 -5.696 1.00 53.44 O ATOM 1541 CB SER A 101 10.343 56.365 -3.971 1.00 30.13 C ATOM 1542 OG SER A 101 9.118 57.046 -4.179 1.00 12.04 O ATOM 0 H SER A 101 11.355 53.786 -2.365 1.00 45.25 H new ATOM 0 HA SER A 101 9.031 54.711 -3.569 1.00 33.14 H new ATOM 0 HB2 SER A 101 10.895 56.842 -3.161 1.00 30.13 H new ATOM 0 HB3 SER A 101 10.961 56.441 -4.865 1.00 30.13 H new ATOM 0 HG SER A 101 9.298 57.986 -4.391 1.00 12.04 H new ATOM 1548 N LEU A 102 11.946 53.639 -4.589 1.00 62.11 N ATOM 1549 CA LEU A 102 12.616 52.793 -5.571 1.00 73.10 C ATOM 1550 C LEU A 102 12.198 51.335 -5.409 1.00 20.24 C ATOM 1551 O LEU A 102 13.037 50.460 -5.197 1.00 72.40 O ATOM 1552 CB LEU A 102 14.134 52.919 -5.431 1.00 73.05 C ATOM 1553 CG LEU A 102 14.669 54.327 -5.167 1.00 32.35 C ATOM 1554 CD1 LEU A 102 16.182 54.303 -5.018 1.00 1.44 C ATOM 1555 CD2 LEU A 102 14.255 55.273 -6.284 1.00 5.40 C ATOM 0 H LEU A 102 12.531 53.913 -3.800 1.00 62.11 H new ATOM 0 HA LEU A 102 12.320 53.128 -6.565 1.00 73.10 H new ATOM 0 HB2 LEU A 102 14.459 52.270 -4.618 1.00 73.05 H new ATOM 0 HB3 LEU A 102 14.596 52.542 -6.344 1.00 73.05 H new ATOM 0 HG LEU A 102 14.239 54.690 -4.234 1.00 32.35 H new ATOM 0 HD11 LEU A 102 16.545 55.313 -4.831 1.00 1.44 H new ATOM 0 HD12 LEU A 102 16.455 53.658 -4.182 1.00 1.44 H new ATOM 0 HD13 LEU A 102 16.632 53.920 -5.934 1.00 1.44 H new ATOM 0 HD21 LEU A 102 14.644 56.270 -6.079 1.00 5.40 H new ATOM 0 HD22 LEU A 102 14.656 54.914 -7.232 1.00 5.40 H new ATOM 0 HD23 LEU A 102 13.167 55.313 -6.342 1.00 5.40 H new ATOM 1567 N GLN A 103 10.897 51.082 -5.511 1.00 42.31 N ATOM 1568 CA GLN A 103 10.369 49.730 -5.377 1.00 22.21 C ATOM 1569 C GLN A 103 10.303 49.034 -6.733 1.00 2.24 C ATOM 1570 O GLN A 103 10.799 47.919 -6.893 1.00 12.24 O ATOM 1571 CB GLN A 103 8.979 49.763 -4.739 1.00 41.34 C ATOM 1572 CG GLN A 103 7.988 50.639 -5.488 1.00 15.53 C ATOM 1573 CD GLN A 103 6.959 51.272 -4.570 1.00 64.24 C ATOM 1574 OE1 GLN A 103 7.257 52.224 -3.849 1.00 13.14 O ATOM 1575 NE2 GLN A 103 5.741 50.745 -4.594 1.00 31.41 N ATOM 0 H GLN A 103 10.190 51.796 -5.686 1.00 42.31 H new ATOM 0 HA GLN A 103 11.043 49.166 -4.732 1.00 22.21 H new ATOM 0 HB2 GLN A 103 8.587 48.747 -4.688 1.00 41.34 H new ATOM 0 HB3 GLN A 103 9.067 50.123 -3.714 1.00 41.34 H new ATOM 0 HG2 GLN A 103 8.529 51.424 -6.017 1.00 15.53 H new ATOM 0 HG3 GLN A 103 7.477 50.040 -6.242 1.00 15.53 H new ATOM 0 HE21 GLN A 103 5.539 49.956 -5.208 1.00 31.41 H new ATOM 0 HE22 GLN A 103 5.007 51.129 -3.999 1.00 31.41 H new ATOM 1584 N GLN A 104 9.688 49.700 -7.704 1.00 51.15 N ATOM 1585 CA GLN A 104 9.557 49.144 -9.046 1.00 53.31 C ATOM 1586 C GLN A 104 10.925 48.825 -9.639 1.00 51.24 C ATOM 1587 O GLN A 104 11.097 47.813 -10.317 1.00 74.32 O ATOM 1588 CB GLN A 104 8.809 50.121 -9.955 1.00 12.42 C ATOM 1589 CG GLN A 104 7.518 50.649 -9.349 1.00 43.32 C ATOM 1590 CD GLN A 104 6.576 49.540 -8.926 1.00 55.12 C ATOM 1591 OE1 GLN A 104 5.954 49.609 -7.865 1.00 61.43 O ATOM 1592 NE2 GLN A 104 6.464 48.509 -9.756 1.00 13.31 N ATOM 0 H GLN A 104 9.273 50.624 -7.587 1.00 51.15 H new ATOM 0 HA GLN A 104 8.988 48.217 -8.974 1.00 53.31 H new ATOM 0 HB2 GLN A 104 9.463 50.962 -10.186 1.00 12.42 H new ATOM 0 HB3 GLN A 104 8.582 49.625 -10.899 1.00 12.42 H new ATOM 0 HG2 GLN A 104 7.754 51.270 -8.485 1.00 43.32 H new ATOM 0 HG3 GLN A 104 7.016 51.290 -10.074 1.00 43.32 H new ATOM 0 HE21 GLN A 104 6.998 48.493 -10.625 1.00 13.31 H new ATOM 0 HE22 GLN A 104 5.844 47.733 -9.525 1.00 13.31 H new ATOM 1601 N GLU A 105 11.895 49.696 -9.380 1.00 11.42 N ATOM 1602 CA GLU A 105 13.248 49.507 -9.890 1.00 33.11 C ATOM 1603 C GLU A 105 13.776 48.122 -9.529 1.00 23.33 C ATOM 1604 O GLU A 105 14.048 47.301 -10.405 1.00 42.04 O ATOM 1605 CB GLU A 105 14.182 50.583 -9.333 1.00 22.34 C ATOM 1606 CG GLU A 105 14.316 51.799 -10.233 1.00 54.13 C ATOM 1607 CD GLU A 105 15.750 52.272 -10.367 1.00 23.41 C ATOM 1608 OE1 GLU A 105 16.406 52.481 -9.325 1.00 62.42 O ATOM 1609 OE2 GLU A 105 16.217 52.432 -11.514 1.00 71.13 O ATOM 0 H GLU A 105 11.769 50.539 -8.820 1.00 11.42 H new ATOM 0 HA GLU A 105 13.215 49.593 -10.976 1.00 33.11 H new ATOM 0 HB2 GLU A 105 13.814 50.902 -8.358 1.00 22.34 H new ATOM 0 HB3 GLU A 105 15.169 50.149 -9.174 1.00 22.34 H new ATOM 0 HG2 GLU A 105 13.923 51.560 -11.221 1.00 54.13 H new ATOM 0 HG3 GLU A 105 13.706 52.610 -9.835 1.00 54.13 H new ATOM 1616 N TYR A 106 13.920 47.869 -8.232 1.00 53.45 N ATOM 1617 CA TYR A 106 14.418 46.585 -7.754 1.00 45.53 C ATOM 1618 C TYR A 106 13.617 45.433 -8.351 1.00 74.03 C ATOM 1619 O TYR A 106 14.143 44.342 -8.570 1.00 20.44 O ATOM 1620 CB TYR A 106 14.357 46.527 -6.227 1.00 55.21 C ATOM 1621 CG TYR A 106 15.597 47.065 -5.550 1.00 14.42 C ATOM 1622 CD1 TYR A 106 16.785 46.345 -5.558 1.00 13.30 C ATOM 1623 CD2 TYR A 106 15.580 48.295 -4.902 1.00 62.24 C ATOM 1624 CE1 TYR A 106 17.920 46.833 -4.940 1.00 33.13 C ATOM 1625 CE2 TYR A 106 16.711 48.791 -4.283 1.00 31.02 C ATOM 1626 CZ TYR A 106 17.878 48.056 -4.304 1.00 11.22 C ATOM 1627 OH TYR A 106 19.007 48.546 -3.688 1.00 11.00 O ATOM 0 H TYR A 106 13.699 48.537 -7.493 1.00 53.45 H new ATOM 0 HA TYR A 106 15.455 46.485 -8.073 1.00 45.53 H new ATOM 0 HB2 TYR A 106 13.491 47.094 -5.885 1.00 55.21 H new ATOM 0 HB3 TYR A 106 14.204 45.493 -5.917 1.00 55.21 H new ATOM 0 HD1 TYR A 106 16.822 45.387 -6.056 1.00 13.30 H new ATOM 0 HD2 TYR A 106 14.667 48.872 -4.882 1.00 62.24 H new ATOM 0 HE1 TYR A 106 18.835 46.260 -4.955 1.00 33.13 H new ATOM 0 HE2 TYR A 106 16.682 49.749 -3.785 1.00 31.02 H new ATOM 0 HH TYR A 106 18.802 48.765 -2.755 1.00 11.00 H new ATOM 1637 N LYS A 107 12.339 45.684 -8.614 1.00 74.02 N ATOM 1638 CA LYS A 107 11.462 44.670 -9.188 1.00 14.31 C ATOM 1639 C LYS A 107 11.788 44.439 -10.660 1.00 35.21 C ATOM 1640 O LYS A 107 11.704 43.315 -11.156 1.00 24.12 O ATOM 1641 CB LYS A 107 9.997 45.090 -9.039 1.00 23.53 C ATOM 1642 CG LYS A 107 9.330 44.537 -7.791 1.00 64.51 C ATOM 1643 CD LYS A 107 8.044 45.279 -7.470 1.00 43.44 C ATOM 1644 CE LYS A 107 8.297 46.456 -6.540 1.00 44.25 C ATOM 1645 NZ LYS A 107 7.297 46.518 -5.439 1.00 50.02 N ATOM 0 H LYS A 107 11.887 46.582 -8.439 1.00 74.02 H new ATOM 0 HA LYS A 107 11.623 43.737 -8.647 1.00 14.31 H new ATOM 0 HB2 LYS A 107 9.940 46.178 -9.020 1.00 23.53 H new ATOM 0 HB3 LYS A 107 9.441 44.757 -9.916 1.00 23.53 H new ATOM 0 HG2 LYS A 107 9.114 43.478 -7.932 1.00 64.51 H new ATOM 0 HG3 LYS A 107 10.015 44.613 -6.947 1.00 64.51 H new ATOM 0 HD2 LYS A 107 7.588 45.635 -8.394 1.00 43.44 H new ATOM 0 HD3 LYS A 107 7.333 44.594 -7.007 1.00 43.44 H new ATOM 0 HE2 LYS A 107 9.298 46.376 -6.117 1.00 44.25 H new ATOM 0 HE3 LYS A 107 8.266 47.384 -7.112 1.00 44.25 H new ATOM 0 HZ1 LYS A 107 6.954 47.494 -5.336 1.00 50.02 H new ATOM 0 HZ2 LYS A 107 6.497 45.892 -5.661 1.00 50.02 H new ATOM 0 HZ3 LYS A 107 7.740 46.211 -4.550 1.00 50.02 H new ATOM 1659 N LYS A 108 12.160 45.509 -11.354 1.00 22.20 N ATOM 1660 CA LYS A 108 12.502 45.423 -12.769 1.00 32.31 C ATOM 1661 C LYS A 108 13.665 44.461 -12.990 1.00 41.12 C ATOM 1662 O LYS A 108 13.584 43.557 -13.821 1.00 22.21 O ATOM 1663 CB LYS A 108 12.860 46.807 -13.313 1.00 42.33 C ATOM 1664 CG LYS A 108 11.700 47.787 -13.295 1.00 12.22 C ATOM 1665 CD LYS A 108 11.244 48.139 -14.701 1.00 65.11 C ATOM 1666 CE LYS A 108 9.733 48.292 -14.776 1.00 1.34 C ATOM 1667 NZ LYS A 108 9.039 46.975 -14.738 1.00 43.12 N ATOM 0 H LYS A 108 12.232 46.447 -10.959 1.00 22.20 H new ATOM 0 HA LYS A 108 11.632 45.043 -13.305 1.00 32.31 H new ATOM 0 HB2 LYS A 108 13.681 47.218 -12.725 1.00 42.33 H new ATOM 0 HB3 LYS A 108 13.221 46.704 -14.336 1.00 42.33 H new ATOM 0 HG2 LYS A 108 10.867 47.356 -12.739 1.00 12.22 H new ATOM 0 HG3 LYS A 108 11.998 48.695 -12.770 1.00 12.22 H new ATOM 0 HD2 LYS A 108 11.721 49.067 -15.017 1.00 65.11 H new ATOM 0 HD3 LYS A 108 11.567 47.362 -15.394 1.00 65.11 H new ATOM 0 HE2 LYS A 108 9.389 48.908 -13.945 1.00 1.34 H new ATOM 0 HE3 LYS A 108 9.466 48.817 -15.693 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 8.023 47.113 -14.910 1.00 43.12 H new ATOM 0 HZ2 LYS A 108 9.433 46.353 -15.473 1.00 43.12 H new ATOM 0 HZ3 LYS A 108 9.176 46.537 -13.805 1.00 43.12 H new ATOM 1681 N GLN A 109 14.744 44.663 -12.241 1.00 22.51 N ATOM 1682 CA GLN A 109 15.923 43.812 -12.356 1.00 10.01 C ATOM 1683 C GLN A 109 15.579 42.359 -12.044 1.00 13.41 C ATOM 1684 O GLN A 109 16.032 41.443 -12.729 1.00 4.22 O ATOM 1685 CB GLN A 109 17.025 44.301 -11.414 1.00 15.10 C ATOM 1686 CG GLN A 109 17.264 45.801 -11.484 1.00 74.31 C ATOM 1687 CD GLN A 109 17.267 46.325 -12.906 1.00 55.34 C ATOM 1688 OE1 GLN A 109 17.808 45.692 -13.813 1.00 22.12 O ATOM 1689 NE2 GLN A 109 16.660 47.489 -13.110 1.00 34.22 N ATOM 0 H GLN A 109 14.827 45.408 -11.549 1.00 22.51 H new ATOM 0 HA GLN A 109 16.281 43.869 -13.384 1.00 10.01 H new ATOM 0 HB2 GLN A 109 16.763 44.031 -10.391 1.00 15.10 H new ATOM 0 HB3 GLN A 109 17.953 43.782 -11.654 1.00 15.10 H new ATOM 0 HG2 GLN A 109 16.491 46.315 -10.913 1.00 74.31 H new ATOM 0 HG3 GLN A 109 18.218 46.036 -11.012 1.00 74.31 H new ATOM 0 HE21 GLN A 109 16.224 47.981 -12.330 1.00 34.22 H new ATOM 0 HE22 GLN A 109 16.630 47.891 -14.047 1.00 34.22 H new ATOM 1698 N MET A 110 14.774 42.157 -11.006 1.00 22.04 N ATOM 1699 CA MET A 110 14.369 40.815 -10.604 1.00 13.13 C ATOM 1700 C MET A 110 13.586 40.127 -11.718 1.00 4.01 C ATOM 1701 O MET A 110 13.750 38.930 -11.957 1.00 73.21 O ATOM 1702 CB MET A 110 13.521 40.875 -9.331 1.00 62.24 C ATOM 1703 CG MET A 110 13.663 39.645 -8.449 1.00 14.32 C ATOM 1704 SD MET A 110 12.203 39.348 -7.432 1.00 42.44 S ATOM 1705 CE MET A 110 11.282 38.227 -8.482 1.00 53.43 C ATOM 0 H MET A 110 14.390 42.905 -10.429 1.00 22.04 H new ATOM 0 HA MET A 110 15.270 40.235 -10.405 1.00 13.13 H new ATOM 0 HB2 MET A 110 13.803 41.758 -8.757 1.00 62.24 H new ATOM 0 HB3 MET A 110 12.473 40.995 -9.607 1.00 62.24 H new ATOM 0 HG2 MET A 110 13.848 38.773 -9.076 1.00 14.32 H new ATOM 0 HG3 MET A 110 14.533 39.764 -7.803 1.00 14.32 H new ATOM 0 HE1 MET A 110 10.350 37.951 -7.990 1.00 53.43 H new ATOM 0 HE2 MET A 110 11.060 38.716 -9.430 1.00 53.43 H new ATOM 0 HE3 MET A 110 11.875 37.331 -8.666 1.00 53.43 H new ATOM 1715 N LEU A 111 12.737 40.890 -12.396 1.00 54.22 N ATOM 1716 CA LEU A 111 11.928 40.354 -13.486 1.00 23.43 C ATOM 1717 C LEU A 111 12.808 39.690 -14.540 1.00 72.53 C ATOM 1718 O LEU A 111 12.590 38.535 -14.909 1.00 71.04 O ATOM 1719 CB LEU A 111 11.097 41.466 -14.126 1.00 14.41 C ATOM 1720 CG LEU A 111 9.582 41.365 -13.938 1.00 44.42 C ATOM 1721 CD1 LEU A 111 8.903 42.654 -14.376 1.00 62.31 C ATOM 1722 CD2 LEU A 111 9.027 40.178 -14.711 1.00 42.13 C ATOM 0 H LEU A 111 12.590 41.882 -12.211 1.00 54.22 H new ATOM 0 HA LEU A 111 11.257 39.601 -13.072 1.00 23.43 H new ATOM 0 HB2 LEU A 111 11.431 42.421 -13.720 1.00 14.41 H new ATOM 0 HB3 LEU A 111 11.310 41.482 -15.195 1.00 14.41 H new ATOM 0 HG LEU A 111 9.376 41.212 -12.879 1.00 44.42 H new ATOM 0 HD11 LEU A 111 7.826 42.564 -14.235 1.00 62.31 H new ATOM 0 HD12 LEU A 111 9.279 43.484 -13.778 1.00 62.31 H new ATOM 0 HD13 LEU A 111 9.117 42.838 -15.429 1.00 62.31 H new ATOM 0 HD21 LEU A 111 7.948 40.122 -14.566 1.00 42.13 H new ATOM 0 HD22 LEU A 111 9.244 40.301 -15.772 1.00 42.13 H new ATOM 0 HD23 LEU A 111 9.490 39.260 -14.350 1.00 42.13 H new ATOM 1734 N THR A 112 13.805 40.426 -15.021 1.00 72.12 N ATOM 1735 CA THR A 112 14.718 39.909 -16.032 1.00 62.22 C ATOM 1736 C THR A 112 15.298 38.563 -15.613 1.00 31.24 C ATOM 1737 O THR A 112 15.154 37.567 -16.320 1.00 71.54 O ATOM 1738 CB THR A 112 15.874 40.891 -16.301 1.00 13.34 C ATOM 1739 OG1 THR A 112 15.398 42.240 -16.224 1.00 20.21 O ATOM 1740 CG2 THR A 112 16.489 40.642 -17.669 1.00 51.35 C ATOM 0 H THR A 112 14.000 41.383 -14.726 1.00 72.12 H new ATOM 0 HA THR A 112 14.138 39.783 -16.946 1.00 62.22 H new ATOM 0 HB THR A 112 16.640 40.732 -15.542 1.00 13.34 H new ATOM 0 HG1 THR A 112 16.139 42.859 -16.394 1.00 20.21 H new ATOM 0 HG21 THR A 112 17.303 41.348 -17.836 1.00 51.35 H new ATOM 0 HG22 THR A 112 16.876 39.624 -17.714 1.00 51.35 H new ATOM 0 HG23 THR A 112 15.729 40.776 -18.439 1.00 51.35 H new ATOM 1748 N ALA A 113 15.953 38.541 -14.457 1.00 22.54 N ATOM 1749 CA ALA A 113 16.552 37.316 -13.942 1.00 23.44 C ATOM 1750 C ALA A 113 15.516 36.203 -13.828 1.00 54.02 C ATOM 1751 O ALA A 113 15.776 35.059 -14.198 1.00 63.24 O ATOM 1752 CB ALA A 113 17.202 37.574 -12.590 1.00 64.44 C ATOM 0 H ALA A 113 16.082 39.357 -13.859 1.00 22.54 H new ATOM 0 HA ALA A 113 17.318 36.993 -14.646 1.00 23.44 H new ATOM 0 HB1 ALA A 113 17.645 36.651 -12.217 1.00 64.44 H new ATOM 0 HB2 ALA A 113 17.978 38.331 -12.698 1.00 64.44 H new ATOM 0 HB3 ALA A 113 16.448 37.925 -11.885 1.00 64.44 H new ATOM 1758 N ALA A 114 14.339 36.547 -13.314 1.00 25.35 N ATOM 1759 CA ALA A 114 13.263 35.577 -13.153 1.00 22.12 C ATOM 1760 C ALA A 114 12.855 34.983 -14.496 1.00 74.43 C ATOM 1761 O ALA A 114 12.486 33.811 -14.582 1.00 32.32 O ATOM 1762 CB ALA A 114 12.066 36.225 -12.474 1.00 13.10 C ATOM 0 H ALA A 114 14.107 37.490 -13.002 1.00 25.35 H new ATOM 0 HA ALA A 114 13.629 34.766 -12.523 1.00 22.12 H new ATOM 0 HB1 ALA A 114 11.270 35.489 -12.360 1.00 13.10 H new ATOM 0 HB2 ALA A 114 12.361 36.595 -11.492 1.00 13.10 H new ATOM 0 HB3 ALA A 114 11.708 37.056 -13.082 1.00 13.10 H new ATOM 1768 N HIS A 115 12.922 35.798 -15.544 1.00 13.11 N ATOM 1769 CA HIS A 115 12.558 35.352 -16.884 1.00 42.23 C ATOM 1770 C HIS A 115 13.439 34.188 -17.327 1.00 44.13 C ATOM 1771 O HIS A 115 12.951 33.085 -17.572 1.00 11.50 O ATOM 1772 CB HIS A 115 12.680 36.507 -17.879 1.00 60.33 C ATOM 1773 CG HIS A 115 11.665 36.459 -18.980 1.00 23.42 C ATOM 1774 ND1 HIS A 115 11.589 35.424 -19.888 1.00 41.35 N ATOM 1775 CD2 HIS A 115 10.680 37.325 -19.314 1.00 62.52 C ATOM 1776 CE1 HIS A 115 10.602 35.657 -20.735 1.00 61.22 C ATOM 1777 NE2 HIS A 115 10.034 36.804 -20.408 1.00 61.42 N ATOM 0 H HIS A 115 13.225 36.771 -15.491 1.00 13.11 H new ATOM 0 HA HIS A 115 11.523 35.012 -16.859 1.00 42.23 H new ATOM 0 HB2 HIS A 115 12.578 37.450 -17.342 1.00 60.33 H new ATOM 0 HB3 HIS A 115 13.679 36.496 -18.316 1.00 60.33 H new ATOM 0 HD2 HIS A 115 10.446 38.253 -18.813 1.00 62.52 H new ATOM 0 HE1 HIS A 115 10.309 35.018 -21.555 1.00 61.22 H new ATOM 0 HE2 HIS A 115 9.244 37.233 -20.890 1.00 61.42 H new ATOM 1785 N ALA A 116 14.740 34.442 -17.429 1.00 11.02 N ATOM 1786 CA ALA A 116 15.689 33.415 -17.841 1.00 12.20 C ATOM 1787 C ALA A 116 15.680 32.239 -16.871 1.00 61.51 C ATOM 1788 O ALA A 116 16.003 31.110 -17.245 1.00 4.22 O ATOM 1789 CB ALA A 116 17.088 34.003 -17.949 1.00 23.53 C ATOM 0 H ALA A 116 15.160 35.350 -17.232 1.00 11.02 H new ATOM 0 HA ALA A 116 15.386 33.046 -18.821 1.00 12.20 H new ATOM 0 HB1 ALA A 116 17.787 33.225 -18.257 1.00 23.53 H new ATOM 0 HB2 ALA A 116 17.089 34.805 -18.687 1.00 23.53 H new ATOM 0 HB3 ALA A 116 17.392 34.400 -16.980 1.00 23.53 H new ATOM 1795 N LEU A 117 15.309 32.508 -15.624 1.00 41.34 N ATOM 1796 CA LEU A 117 15.259 31.471 -14.600 1.00 11.34 C ATOM 1797 C LEU A 117 14.260 30.382 -14.976 1.00 33.12 C ATOM 1798 O LEU A 117 14.623 29.215 -15.118 1.00 20.23 O ATOM 1799 CB LEU A 117 14.882 32.080 -13.248 1.00 1.21 C ATOM 1800 CG LEU A 117 15.896 31.889 -12.119 1.00 71.54 C ATOM 1801 CD1 LEU A 117 15.950 30.430 -11.693 1.00 21.14 C ATOM 1802 CD2 LEU A 117 17.273 32.371 -12.552 1.00 12.23 C ATOM 0 H LEU A 117 15.038 33.436 -15.298 1.00 41.34 H new ATOM 0 HA LEU A 117 16.249 31.020 -14.526 1.00 11.34 H new ATOM 0 HB2 LEU A 117 14.720 33.149 -13.386 1.00 1.21 H new ATOM 0 HB3 LEU A 117 13.931 31.651 -12.932 1.00 1.21 H new ATOM 0 HG LEU A 117 15.577 32.485 -11.264 1.00 71.54 H new ATOM 0 HD11 LEU A 117 16.677 30.312 -10.889 1.00 21.14 H new ATOM 0 HD12 LEU A 117 14.967 30.117 -11.342 1.00 21.14 H new ATOM 0 HD13 LEU A 117 16.246 29.814 -12.542 1.00 21.14 H new ATOM 0 HD21 LEU A 117 17.982 32.228 -11.736 1.00 12.23 H new ATOM 0 HD22 LEU A 117 17.601 31.802 -13.422 1.00 12.23 H new ATOM 0 HD23 LEU A 117 17.224 33.429 -12.808 1.00 12.23 H new ATOM 1814 N ALA A 118 13.000 30.772 -15.138 1.00 13.31 N ATOM 1815 CA ALA A 118 11.949 29.830 -15.502 1.00 51.10 C ATOM 1816 C ALA A 118 12.329 29.039 -16.749 1.00 54.34 C ATOM 1817 O ALA A 118 12.088 27.835 -16.830 1.00 75.25 O ATOM 1818 CB ALA A 118 10.634 30.564 -15.720 1.00 41.20 C ATOM 0 H ALA A 118 12.682 31.734 -15.023 1.00 13.31 H new ATOM 0 HA ALA A 118 11.826 29.125 -14.680 1.00 51.10 H new ATOM 0 HB1 ALA A 118 9.858 29.848 -15.991 1.00 41.20 H new ATOM 0 HB2 ALA A 118 10.348 31.079 -14.803 1.00 41.20 H new ATOM 0 HB3 ALA A 118 10.752 31.292 -16.523 1.00 41.20 H new ATOM 1824 N VAL A 119 12.923 29.725 -17.721 1.00 24.23 N ATOM 1825 CA VAL A 119 13.337 29.086 -18.964 1.00 52.15 C ATOM 1826 C VAL A 119 14.212 27.868 -18.692 1.00 71.22 C ATOM 1827 O VAL A 119 14.068 26.830 -19.338 1.00 75.15 O ATOM 1828 CB VAL A 119 14.107 30.066 -19.869 1.00 61.25 C ATOM 1829 CG1 VAL A 119 14.612 29.357 -21.117 1.00 34.41 C ATOM 1830 CG2 VAL A 119 13.229 31.252 -20.239 1.00 21.12 C ATOM 0 H VAL A 119 13.128 30.723 -17.671 1.00 24.23 H new ATOM 0 HA VAL A 119 12.428 28.769 -19.475 1.00 52.15 H new ATOM 0 HB VAL A 119 14.970 30.440 -19.318 1.00 61.25 H new ATOM 0 HG11 VAL A 119 15.153 30.065 -21.744 1.00 34.41 H new ATOM 0 HG12 VAL A 119 15.279 28.544 -20.829 1.00 34.41 H new ATOM 0 HG13 VAL A 119 13.766 28.953 -21.673 1.00 34.41 H new ATOM 0 HG21 VAL A 119 13.789 31.934 -20.879 1.00 21.12 H new ATOM 0 HG22 VAL A 119 12.346 30.899 -20.771 1.00 21.12 H new ATOM 0 HG23 VAL A 119 12.922 31.774 -19.333 1.00 21.12 H new ATOM 1840 N ASP A 120 15.119 28.001 -17.731 1.00 43.12 N ATOM 1841 CA ASP A 120 16.018 26.910 -17.371 1.00 51.43 C ATOM 1842 C ASP A 120 15.234 25.710 -16.850 1.00 11.25 C ATOM 1843 O ASP A 120 15.352 24.603 -17.374 1.00 40.54 O ATOM 1844 CB ASP A 120 17.023 27.376 -16.317 1.00 2.11 C ATOM 1845 CG ASP A 120 17.987 28.415 -16.855 1.00 64.22 C ATOM 1846 OD1 ASP A 120 18.168 28.473 -18.089 1.00 54.24 O ATOM 1847 OD2 ASP A 120 18.563 29.169 -16.042 1.00 74.33 O ATOM 0 H ASP A 120 15.252 28.853 -17.187 1.00 43.12 H new ATOM 0 HA ASP A 120 16.559 26.606 -18.267 1.00 51.43 H new ATOM 0 HB2 ASP A 120 16.485 27.791 -15.465 1.00 2.11 H new ATOM 0 HB3 ASP A 120 17.586 26.517 -15.951 1.00 2.11 H new ATOM 1852 N ALA A 121 14.434 25.938 -15.813 1.00 24.45 N ATOM 1853 CA ALA A 121 13.631 24.876 -15.220 1.00 74.44 C ATOM 1854 C ALA A 121 12.820 24.142 -16.284 1.00 3.40 C ATOM 1855 O ALA A 121 12.642 22.926 -16.215 1.00 44.12 O ATOM 1856 CB ALA A 121 12.709 25.445 -14.151 1.00 65.43 C ATOM 0 H ALA A 121 14.325 26.849 -15.367 1.00 24.45 H new ATOM 0 HA ALA A 121 14.308 24.159 -14.756 1.00 74.44 H new ATOM 0 HB1 ALA A 121 12.115 24.641 -13.717 1.00 65.43 H new ATOM 0 HB2 ALA A 121 13.305 25.918 -13.371 1.00 65.43 H new ATOM 0 HB3 ALA A 121 12.045 26.185 -14.599 1.00 65.43 H new ATOM 1862 N LYS A 122 12.330 24.890 -17.267 1.00 70.31 N ATOM 1863 CA LYS A 122 11.538 24.311 -18.347 1.00 4.55 C ATOM 1864 C LYS A 122 12.427 23.548 -19.324 1.00 14.21 C ATOM 1865 O LYS A 122 12.097 22.439 -19.740 1.00 74.42 O ATOM 1866 CB LYS A 122 10.771 25.408 -19.088 1.00 41.51 C ATOM 1867 CG LYS A 122 10.118 24.931 -20.373 1.00 54.04 C ATOM 1868 CD LYS A 122 9.199 23.746 -20.125 1.00 42.23 C ATOM 1869 CE LYS A 122 8.122 23.642 -21.194 1.00 44.24 C ATOM 1870 NZ LYS A 122 8.698 23.680 -22.567 1.00 42.32 N ATOM 0 H LYS A 122 12.467 25.898 -17.338 1.00 70.31 H new ATOM 0 HA LYS A 122 10.826 23.611 -17.909 1.00 4.55 H new ATOM 0 HB2 LYS A 122 10.003 25.812 -18.428 1.00 41.51 H new ATOM 0 HB3 LYS A 122 11.455 26.225 -19.319 1.00 41.51 H new ATOM 0 HG2 LYS A 122 9.549 25.747 -20.818 1.00 54.04 H new ATOM 0 HG3 LYS A 122 10.888 24.651 -21.092 1.00 54.04 H new ATOM 0 HD2 LYS A 122 9.785 22.827 -20.107 1.00 42.23 H new ATOM 0 HD3 LYS A 122 8.732 23.845 -19.145 1.00 42.23 H new ATOM 0 HE2 LYS A 122 7.565 22.715 -21.059 1.00 44.24 H new ATOM 0 HE3 LYS A 122 7.412 24.461 -21.075 1.00 44.24 H new ATOM 0 HZ1 LYS A 122 8.334 24.513 -23.073 1.00 42.32 H new ATOM 0 HZ2 LYS A 122 9.735 23.737 -22.507 1.00 42.32 H new ATOM 0 HZ3 LYS A 122 8.428 22.817 -23.081 1.00 42.32 H new ATOM 1884 N ASN A 123 13.555 24.150 -19.685 1.00 3.12 N ATOM 1885 CA ASN A 123 14.491 23.526 -20.613 1.00 24.13 C ATOM 1886 C ASN A 123 14.936 22.159 -20.100 1.00 52.41 C ATOM 1887 O ASN A 123 15.369 21.304 -20.874 1.00 54.40 O ATOM 1888 CB ASN A 123 15.711 24.426 -20.822 1.00 20.11 C ATOM 1889 CG ASN A 123 16.235 24.368 -22.244 1.00 23.13 C ATOM 1890 OD1 ASN A 123 15.462 24.327 -23.201 1.00 22.41 O ATOM 1891 ND2 ASN A 123 17.555 24.364 -22.388 1.00 4.54 N ATOM 0 H ASN A 123 13.843 25.069 -19.349 1.00 3.12 H new ATOM 0 HA ASN A 123 13.981 23.389 -21.567 1.00 24.13 H new ATOM 0 HB2 ASN A 123 15.447 25.455 -20.577 1.00 20.11 H new ATOM 0 HB3 ASN A 123 16.502 24.127 -20.134 1.00 20.11 H new ATOM 0 HD21 ASN A 123 17.966 24.326 -23.321 1.00 4.54 H new ATOM 0 HD22 ASN A 123 18.158 24.399 -21.566 1.00 4.54 H new ATOM 1898 N LEU A 124 14.825 21.960 -18.791 1.00 44.24 N ATOM 1899 CA LEU A 124 15.215 20.697 -18.174 1.00 51.02 C ATOM 1900 C LEU A 124 14.543 19.519 -18.873 1.00 12.51 C ATOM 1901 O LEU A 124 15.178 18.793 -19.638 1.00 21.30 O ATOM 1902 CB LEU A 124 14.851 20.699 -16.689 1.00 35.15 C ATOM 1903 CG LEU A 124 15.628 21.678 -15.808 1.00 53.21 C ATOM 1904 CD1 LEU A 124 15.236 21.510 -14.348 1.00 54.33 C ATOM 1905 CD2 LEU A 124 17.126 21.482 -15.986 1.00 21.52 C ATOM 0 H LEU A 124 14.468 22.657 -18.137 1.00 44.24 H new ATOM 0 HA LEU A 124 16.295 20.589 -18.277 1.00 51.02 H new ATOM 0 HB2 LEU A 124 13.788 20.923 -16.596 1.00 35.15 H new ATOM 0 HB3 LEU A 124 15.000 19.693 -16.298 1.00 35.15 H new ATOM 0 HG LEU A 124 15.375 22.693 -16.116 1.00 53.21 H new ATOM 0 HD11 LEU A 124 15.799 22.215 -13.737 1.00 54.33 H new ATOM 0 HD12 LEU A 124 14.169 21.702 -14.233 1.00 54.33 H new ATOM 0 HD13 LEU A 124 15.458 20.493 -14.026 1.00 54.33 H new ATOM 0 HD21 LEU A 124 17.663 22.187 -15.352 1.00 21.52 H new ATOM 0 HD22 LEU A 124 17.396 20.464 -15.706 1.00 21.52 H new ATOM 0 HD23 LEU A 124 17.394 21.655 -17.028 1.00 21.52 H new ATOM 1917 N LEU A 125 13.254 19.338 -18.607 1.00 21.33 N ATOM 1918 CA LEU A 125 12.494 18.249 -19.212 1.00 10.43 C ATOM 1919 C LEU A 125 12.235 18.522 -20.690 1.00 64.11 C ATOM 1920 O LEU A 125 12.165 17.596 -21.499 1.00 14.50 O ATOM 1921 CB LEU A 125 11.166 18.058 -18.477 1.00 1.33 C ATOM 1922 CG LEU A 125 10.804 16.619 -18.108 1.00 52.15 C ATOM 1923 CD1 LEU A 125 10.540 16.501 -16.616 1.00 34.45 C ATOM 1924 CD2 LEU A 125 9.594 16.153 -18.905 1.00 14.42 C ATOM 0 H LEU A 125 12.713 19.931 -17.977 1.00 21.33 H new ATOM 0 HA LEU A 125 13.084 17.336 -19.128 1.00 10.43 H new ATOM 0 HB2 LEU A 125 11.191 18.651 -17.563 1.00 1.33 H new ATOM 0 HB3 LEU A 125 10.368 18.464 -19.099 1.00 1.33 H new ATOM 0 HG LEU A 125 11.648 15.976 -18.358 1.00 52.15 H new ATOM 0 HD11 LEU A 125 10.284 15.470 -16.372 1.00 34.45 H new ATOM 0 HD12 LEU A 125 11.433 16.793 -16.064 1.00 34.45 H new ATOM 0 HD13 LEU A 125 9.713 17.155 -16.340 1.00 34.45 H new ATOM 0 HD21 LEU A 125 9.350 15.127 -18.630 1.00 14.42 H new ATOM 0 HD22 LEU A 125 8.744 16.799 -18.687 1.00 14.42 H new ATOM 0 HD23 LEU A 125 9.820 16.199 -19.970 1.00 14.42 H new ATOM 1936 N ASP A 126 12.097 19.797 -21.036 1.00 3.12 N ATOM 1937 CA ASP A 126 11.850 20.192 -22.418 1.00 1.14 C ATOM 1938 C ASP A 126 12.960 19.687 -23.334 1.00 72.32 C ATOM 1939 O ASP A 126 12.695 19.144 -24.407 1.00 35.11 O ATOM 1940 CB ASP A 126 11.738 21.714 -22.523 1.00 71.22 C ATOM 1941 CG ASP A 126 11.815 22.202 -23.956 1.00 44.04 C ATOM 1942 OD1 ASP A 126 11.111 21.633 -24.816 1.00 74.03 O ATOM 1943 OD2 ASP A 126 12.580 23.154 -24.218 1.00 21.30 O ATOM 0 H ASP A 126 12.152 20.575 -20.379 1.00 3.12 H new ATOM 0 HA ASP A 126 10.909 19.743 -22.736 1.00 1.14 H new ATOM 0 HB2 ASP A 126 10.795 22.037 -22.082 1.00 71.22 H new ATOM 0 HB3 ASP A 126 12.536 22.175 -21.942 1.00 71.22 H new ATOM 1948 N VAL A 127 14.204 19.870 -22.905 1.00 25.32 N ATOM 1949 CA VAL A 127 15.355 19.432 -23.686 1.00 50.44 C ATOM 1950 C VAL A 127 15.393 17.913 -23.805 1.00 24.12 C ATOM 1951 O VAL A 127 15.350 17.365 -24.907 1.00 24.03 O ATOM 1952 CB VAL A 127 16.676 19.921 -23.063 1.00 13.32 C ATOM 1953 CG1 VAL A 127 17.853 19.138 -23.623 1.00 42.34 C ATOM 1954 CG2 VAL A 127 16.856 21.413 -23.299 1.00 51.23 C ATOM 0 H VAL A 127 14.441 20.319 -22.020 1.00 25.32 H new ATOM 0 HA VAL A 127 15.247 19.868 -24.679 1.00 50.44 H new ATOM 0 HB VAL A 127 16.636 19.749 -21.987 1.00 13.32 H new ATOM 0 HG11 VAL A 127 18.777 19.498 -23.171 1.00 42.34 H new ATOM 0 HG12 VAL A 127 17.726 18.079 -23.397 1.00 42.34 H new ATOM 0 HG13 VAL A 127 17.900 19.275 -24.703 1.00 42.34 H new ATOM 0 HG21 VAL A 127 17.794 21.741 -22.852 1.00 51.23 H new ATOM 0 HG22 VAL A 127 16.875 21.612 -24.370 1.00 51.23 H new ATOM 0 HG23 VAL A 127 16.028 21.956 -22.844 1.00 51.23 H new ATOM 1964 N ILE A 128 15.474 17.238 -22.663 1.00 62.02 N ATOM 1965 CA ILE A 128 15.517 15.781 -22.639 1.00 52.20 C ATOM 1966 C ILE A 128 14.310 15.184 -23.355 1.00 43.03 C ATOM 1967 O ILE A 128 14.340 14.031 -23.787 1.00 54.52 O ATOM 1968 CB ILE A 128 15.561 15.243 -21.197 1.00 4.14 C ATOM 1969 CG1 ILE A 128 14.193 15.396 -20.530 1.00 32.33 C ATOM 1970 CG2 ILE A 128 16.632 15.968 -20.394 1.00 34.41 C ATOM 1971 CD1 ILE A 128 14.189 15.016 -19.065 1.00 54.34 C ATOM 0 H ILE A 128 15.511 17.677 -21.743 1.00 62.02 H new ATOM 0 HA ILE A 128 16.429 15.484 -23.157 1.00 52.20 H new ATOM 0 HB ILE A 128 15.812 14.183 -21.228 1.00 4.14 H new ATOM 0 HG12 ILE A 128 13.863 16.430 -20.630 1.00 32.33 H new ATOM 0 HG13 ILE A 128 13.468 14.777 -21.059 1.00 32.33 H new ATOM 0 HG21 ILE A 128 16.651 15.577 -19.377 1.00 34.41 H new ATOM 0 HG22 ILE A 128 17.605 15.813 -20.861 1.00 34.41 H new ATOM 0 HG23 ILE A 128 16.408 17.034 -20.369 1.00 34.41 H new ATOM 0 HD11 ILE A 128 13.187 15.149 -18.657 1.00 54.34 H new ATOM 0 HD12 ILE A 128 14.488 13.973 -18.959 1.00 54.34 H new ATOM 0 HD13 ILE A 128 14.889 15.652 -18.522 1.00 54.34 H new ATOM 1983 N ASP A 129 13.251 15.976 -23.479 1.00 42.34 N ATOM 1984 CA ASP A 129 12.035 15.527 -24.146 1.00 54.45 C ATOM 1985 C ASP A 129 12.352 14.939 -25.518 1.00 10.51 C ATOM 1986 O ASP A 129 11.669 14.029 -25.986 1.00 21.12 O ATOM 1987 CB ASP A 129 11.049 16.688 -24.291 1.00 71.10 C ATOM 1988 CG ASP A 129 9.624 16.280 -23.973 1.00 12.23 C ATOM 1989 OD1 ASP A 129 9.324 15.070 -24.039 1.00 73.41 O ATOM 1990 OD2 ASP A 129 8.809 17.172 -23.656 1.00 72.34 O ATOM 0 H ASP A 129 13.210 16.932 -23.126 1.00 42.34 H new ATOM 0 HA ASP A 129 11.581 14.748 -23.533 1.00 54.45 H new ATOM 0 HB2 ASP A 129 11.348 17.500 -23.628 1.00 71.10 H new ATOM 0 HB3 ASP A 129 11.095 17.075 -25.309 1.00 71.10 H new ATOM 1995 N GLN A 130 13.391 15.467 -26.156 1.00 43.52 N ATOM 1996 CA GLN A 130 13.797 14.996 -27.475 1.00 24.42 C ATOM 1997 C GLN A 130 14.114 13.504 -27.446 1.00 35.14 C ATOM 1998 O GLN A 130 13.874 12.790 -28.419 1.00 23.22 O ATOM 1999 CB GLN A 130 15.016 15.778 -27.967 1.00 24.14 C ATOM 2000 CG GLN A 130 16.274 15.518 -27.154 1.00 4.34 C ATOM 2001 CD GLN A 130 17.044 14.306 -27.640 1.00 41.33 C ATOM 2002 OE1 GLN A 130 16.824 13.821 -28.750 1.00 54.24 O ATOM 2003 NE2 GLN A 130 17.954 13.810 -26.810 1.00 71.12 N ATOM 0 H GLN A 130 13.967 16.221 -25.781 1.00 43.52 H new ATOM 0 HA GLN A 130 12.967 15.160 -28.163 1.00 24.42 H new ATOM 0 HB2 GLN A 130 15.207 15.520 -29.009 1.00 24.14 H new ATOM 0 HB3 GLN A 130 14.789 16.844 -27.939 1.00 24.14 H new ATOM 0 HG2 GLN A 130 16.919 16.395 -27.200 1.00 4.34 H new ATOM 0 HG3 GLN A 130 16.003 15.376 -26.108 1.00 4.34 H new ATOM 0 HE21 GLN A 130 18.104 14.244 -25.899 1.00 71.12 H new ATOM 0 HE22 GLN A 130 18.503 12.995 -27.083 1.00 71.12 H new ATOM 2012 N ALA A 131 14.653 13.040 -26.323 1.00 11.30 N ATOM 2013 CA ALA A 131 15.000 11.633 -26.167 1.00 3.33 C ATOM 2014 C ALA A 131 13.757 10.785 -25.921 1.00 61.14 C ATOM 2015 O ALA A 131 13.623 9.691 -26.470 1.00 33.13 O ATOM 2016 CB ALA A 131 15.994 11.458 -25.028 1.00 1.41 C ATOM 0 H ALA A 131 14.859 13.618 -25.508 1.00 11.30 H new ATOM 0 HA ALA A 131 15.462 11.293 -27.094 1.00 3.33 H new ATOM 0 HB1 ALA A 131 16.244 10.402 -24.923 1.00 1.41 H new ATOM 0 HB2 ALA A 131 16.899 12.026 -25.244 1.00 1.41 H new ATOM 0 HB3 ALA A 131 15.552 11.820 -24.100 1.00 1.41 H new ATOM 2022 N ARG A 132 12.851 11.296 -25.094 1.00 24.01 N ATOM 2023 CA ARG A 132 11.620 10.584 -24.775 1.00 20.33 C ATOM 2024 C ARG A 132 10.902 10.143 -26.047 1.00 34.13 C ATOM 2025 O ARG A 132 10.628 8.957 -26.239 1.00 40.41 O ATOM 2026 CB ARG A 132 10.697 11.469 -23.935 1.00 72.33 C ATOM 2027 CG ARG A 132 10.356 10.878 -22.577 1.00 25.12 C ATOM 2028 CD ARG A 132 9.313 11.713 -21.852 1.00 1.34 C ATOM 2029 NE ARG A 132 8.161 10.915 -21.441 1.00 24.31 N ATOM 2030 CZ ARG A 132 7.160 10.597 -22.254 1.00 12.33 C ATOM 2031 NH1 ARG A 132 7.169 11.008 -23.514 1.00 52.22 N ATOM 2032 NH2 ARG A 132 6.147 9.867 -21.806 1.00 35.20 N ATOM 0 H ARG A 132 12.947 12.201 -24.633 1.00 24.01 H new ATOM 0 HA ARG A 132 11.882 9.696 -24.200 1.00 20.33 H new ATOM 0 HB2 ARG A 132 11.171 12.440 -23.791 1.00 72.33 H new ATOM 0 HB3 ARG A 132 9.774 11.644 -24.488 1.00 72.33 H new ATOM 0 HG2 ARG A 132 9.985 9.861 -22.704 1.00 25.12 H new ATOM 0 HG3 ARG A 132 11.259 10.814 -21.970 1.00 25.12 H new ATOM 0 HD2 ARG A 132 9.765 12.175 -20.975 1.00 1.34 H new ATOM 0 HD3 ARG A 132 8.980 12.522 -22.503 1.00 1.34 H new ATOM 0 HE ARG A 132 8.123 10.584 -20.477 1.00 24.31 H new ATOM 0 HH11 ARG A 132 7.946 11.570 -23.862 1.00 52.22 H new ATOM 0 HH12 ARG A 132 6.399 10.762 -24.136 1.00 52.22 H new ATOM 0 HH21 ARG A 132 6.137 9.550 -20.837 1.00 35.20 H new ATOM 0 HH22 ARG A 132 5.379 9.623 -22.431 1.00 35.20 H new ATOM 2046 N LEU A 133 10.598 11.104 -26.912 1.00 2.32 N ATOM 2047 CA LEU A 133 9.911 10.816 -28.166 1.00 12.12 C ATOM 2048 C LEU A 133 10.767 9.931 -29.065 1.00 64.33 C ATOM 2049 O LEU A 133 10.278 8.966 -29.654 1.00 11.34 O ATOM 2050 CB LEU A 133 9.565 12.118 -28.892 1.00 25.43 C ATOM 2051 CG LEU A 133 8.163 12.673 -28.643 1.00 13.01 C ATOM 2052 CD1 LEU A 133 8.163 13.606 -27.442 1.00 23.23 C ATOM 2053 CD2 LEU A 133 7.647 13.394 -29.880 1.00 23.20 C ATOM 0 H LEU A 133 10.816 12.090 -26.768 1.00 2.32 H new ATOM 0 HA LEU A 133 8.990 10.282 -27.933 1.00 12.12 H new ATOM 0 HB2 LEU A 133 10.291 12.877 -28.601 1.00 25.43 H new ATOM 0 HB3 LEU A 133 9.685 11.956 -29.963 1.00 25.43 H new ATOM 0 HG LEU A 133 7.496 11.838 -28.428 1.00 13.01 H new ATOM 0 HD11 LEU A 133 7.156 13.991 -27.280 1.00 23.23 H new ATOM 0 HD12 LEU A 133 8.489 13.060 -26.557 1.00 23.23 H new ATOM 0 HD13 LEU A 133 8.844 14.437 -27.627 1.00 23.23 H new ATOM 0 HD21 LEU A 133 6.648 13.783 -29.684 1.00 23.20 H new ATOM 0 HD22 LEU A 133 8.315 14.219 -30.126 1.00 23.20 H new ATOM 0 HD23 LEU A 133 7.608 12.697 -30.717 1.00 23.20 H new ATOM 2065 N LYS A 134 12.050 10.263 -29.166 1.00 52.41 N ATOM 2066 CA LYS A 134 12.977 9.497 -29.991 1.00 11.55 C ATOM 2067 C LYS A 134 13.009 8.035 -29.558 1.00 50.11 C ATOM 2068 O LYS A 134 13.355 7.153 -30.344 1.00 3.53 O ATOM 2069 CB LYS A 134 14.383 10.097 -29.905 1.00 35.44 C ATOM 2070 CG LYS A 134 15.420 9.331 -30.708 1.00 10.41 C ATOM 2071 CD LYS A 134 16.754 10.059 -30.733 1.00 13.01 C ATOM 2072 CE LYS A 134 16.928 10.860 -32.014 1.00 54.21 C ATOM 2073 NZ LYS A 134 17.942 10.249 -32.917 1.00 1.11 N ATOM 0 H LYS A 134 12.472 11.058 -28.686 1.00 52.41 H new ATOM 0 HA LYS A 134 12.631 9.544 -31.024 1.00 11.55 H new ATOM 0 HB2 LYS A 134 14.351 11.128 -30.257 1.00 35.44 H new ATOM 0 HB3 LYS A 134 14.693 10.127 -28.861 1.00 35.44 H new ATOM 0 HG2 LYS A 134 15.554 8.338 -30.278 1.00 10.41 H new ATOM 0 HG3 LYS A 134 15.061 9.191 -31.728 1.00 10.41 H new ATOM 0 HD2 LYS A 134 16.822 10.726 -29.874 1.00 13.01 H new ATOM 0 HD3 LYS A 134 17.565 9.337 -30.641 1.00 13.01 H new ATOM 0 HE2 LYS A 134 15.972 10.926 -32.534 1.00 54.21 H new ATOM 0 HE3 LYS A 134 17.228 11.878 -31.767 1.00 54.21 H new ATOM 0 HZ1 LYS A 134 18.031 10.825 -33.779 1.00 1.11 H new ATOM 0 HZ2 LYS A 134 18.860 10.209 -32.431 1.00 1.11 H new ATOM 0 HZ3 LYS A 134 17.644 9.286 -33.173 1.00 1.11 H new ATOM 2087 N MET A 135 12.644 7.785 -28.305 1.00 3.23 N ATOM 2088 CA MET A 135 12.629 6.429 -27.770 1.00 21.33 C ATOM 2089 C MET A 135 11.339 5.709 -28.149 1.00 15.21 C ATOM 2090 O MET A 135 11.359 4.732 -28.898 1.00 41.32 O ATOM 2091 CB MET A 135 12.783 6.456 -26.248 1.00 23.01 C ATOM 2092 CG MET A 135 13.303 5.151 -25.666 1.00 45.52 C ATOM 2093 SD MET A 135 15.008 5.278 -25.092 1.00 11.05 S ATOM 2094 CE MET A 135 14.950 4.245 -23.629 1.00 53.24 C ATOM 0 H MET A 135 12.355 8.504 -27.641 1.00 3.23 H new ATOM 0 HA MET A 135 13.469 5.885 -28.203 1.00 21.33 H new ATOM 0 HB2 MET A 135 13.463 7.263 -25.974 1.00 23.01 H new ATOM 0 HB3 MET A 135 11.818 6.686 -25.797 1.00 23.01 H new ATOM 0 HG2 MET A 135 12.665 4.848 -24.835 1.00 45.52 H new ATOM 0 HG3 MET A 135 13.235 4.368 -26.421 1.00 45.52 H new ATOM 0 HE1 MET A 135 15.934 4.223 -23.160 1.00 53.24 H new ATOM 0 HE2 MET A 135 14.222 4.650 -22.926 1.00 53.24 H new ATOM 0 HE3 MET A 135 14.659 3.233 -23.910 1.00 53.24 H new ATOM 2104 N ILE A 136 10.219 6.198 -27.627 1.00 33.11 N ATOM 2105 CA ILE A 136 8.920 5.601 -27.912 1.00 13.41 C ATOM 2106 C ILE A 136 8.705 5.444 -29.413 1.00 72.44 C ATOM 2107 O ILE A 136 8.386 4.356 -29.894 1.00 53.43 O ATOM 2108 CB ILE A 136 7.772 6.445 -27.326 1.00 50.03 C ATOM 2109 CG1 ILE A 136 7.995 7.928 -27.627 1.00 43.44 C ATOM 2110 CG2 ILE A 136 7.657 6.215 -25.827 1.00 21.22 C ATOM 2111 CD1 ILE A 136 7.064 8.477 -28.686 1.00 11.04 C ATOM 0 H ILE A 136 10.185 7.006 -27.005 1.00 33.11 H new ATOM 0 HA ILE A 136 8.914 4.618 -27.442 1.00 13.41 H new ATOM 0 HB ILE A 136 6.838 6.135 -27.794 1.00 50.03 H new ATOM 0 HG12 ILE A 136 7.865 8.500 -26.708 1.00 43.44 H new ATOM 0 HG13 ILE A 136 9.026 8.074 -27.950 1.00 43.44 H new ATOM 0 HG21 ILE A 136 6.842 6.818 -25.428 1.00 21.22 H new ATOM 0 HG22 ILE A 136 7.456 5.161 -25.635 1.00 21.22 H new ATOM 0 HG23 ILE A 136 8.591 6.501 -25.342 1.00 21.22 H new ATOM 0 HD11 ILE A 136 7.279 9.533 -28.848 1.00 11.04 H new ATOM 0 HD12 ILE A 136 7.210 7.930 -29.618 1.00 11.04 H new ATOM 0 HD13 ILE A 136 6.031 8.363 -28.357 1.00 11.04 H new ATOM 2123 N SER A 137 8.884 6.536 -30.149 1.00 54.02 N ATOM 2124 CA SER A 137 8.707 6.520 -31.597 1.00 25.03 C ATOM 2125 C SER A 137 9.938 5.941 -32.287 1.00 63.53 C ATOM 2126 O SER A 137 10.620 6.631 -33.045 1.00 32.42 O ATOM 2127 CB SER A 137 8.436 7.934 -32.114 1.00 64.14 C ATOM 2128 OG SER A 137 7.157 8.389 -31.710 1.00 32.45 O ATOM 0 H SER A 137 9.151 7.443 -29.767 1.00 54.02 H new ATOM 0 HA SER A 137 7.851 5.886 -31.828 1.00 25.03 H new ATOM 0 HB2 SER A 137 9.202 8.614 -31.741 1.00 64.14 H new ATOM 0 HB3 SER A 137 8.502 7.946 -33.202 1.00 64.14 H new ATOM 0 HG SER A 137 7.009 9.296 -32.052 1.00 32.45 H new ATOM 2228 N ALA A 170 25.203 22.443 -1.438 1.00 50.34 N ATOM 2229 CA ALA A 170 24.001 22.849 -2.156 1.00 11.42 C ATOM 2230 C ALA A 170 22.779 22.816 -1.244 1.00 24.54 C ATOM 2231 O ALA A 170 22.116 23.832 -1.038 1.00 52.53 O ATOM 2232 CB ALA A 170 23.782 21.956 -3.368 1.00 22.45 C ATOM 0 HA ALA A 170 24.141 23.875 -2.496 1.00 11.42 H new ATOM 0 HB1 ALA A 170 22.881 22.271 -3.894 1.00 22.45 H new ATOM 0 HB2 ALA A 170 24.639 22.034 -4.037 1.00 22.45 H new ATOM 0 HB3 ALA A 170 23.669 20.922 -3.042 1.00 22.45 H new ATOM 2238 N THR A 171 22.486 21.639 -0.698 1.00 42.02 N ATOM 2239 CA THR A 171 21.343 21.472 0.191 1.00 43.24 C ATOM 2240 C THR A 171 21.413 22.442 1.364 1.00 2.43 C ATOM 2241 O THR A 171 20.389 22.935 1.836 1.00 14.33 O ATOM 2242 CB THR A 171 21.259 20.033 0.733 1.00 11.12 C ATOM 2243 OG1 THR A 171 21.587 19.099 -0.301 1.00 45.35 O ATOM 2244 CG2 THR A 171 19.865 19.737 1.267 1.00 65.21 C ATOM 0 H THR A 171 23.025 20.788 -0.856 1.00 42.02 H new ATOM 0 HA THR A 171 20.450 21.683 -0.398 1.00 43.24 H new ATOM 0 HB THR A 171 21.973 19.934 1.550 1.00 11.12 H new ATOM 0 HG1 THR A 171 21.533 18.187 0.053 1.00 45.35 H new ATOM 0 HG21 THR A 171 19.829 18.715 1.644 1.00 65.21 H new ATOM 0 HG22 THR A 171 19.630 20.430 2.074 1.00 65.21 H new ATOM 0 HG23 THR A 171 19.136 19.853 0.465 1.00 65.21 H new ATOM 2252 N ARG A 172 22.628 22.713 1.831 1.00 51.03 N ATOM 2253 CA ARG A 172 22.831 23.625 2.950 1.00 31.42 C ATOM 2254 C ARG A 172 22.289 25.014 2.625 1.00 24.33 C ATOM 2255 O ARG A 172 21.559 25.606 3.419 1.00 53.15 O ATOM 2256 CB ARG A 172 24.317 23.714 3.300 1.00 65.12 C ATOM 2257 CG ARG A 172 24.599 23.622 4.791 1.00 62.24 C ATOM 2258 CD ARG A 172 24.744 22.177 5.242 1.00 75.21 C ATOM 2259 NE ARG A 172 23.973 21.902 6.452 1.00 71.34 N ATOM 2260 CZ ARG A 172 24.095 20.787 7.163 1.00 24.14 C ATOM 2261 NH1 ARG A 172 24.954 19.848 6.789 1.00 54.22 N ATOM 2262 NH2 ARG A 172 23.359 20.609 8.253 1.00 50.52 N ATOM 0 H ARG A 172 23.486 22.314 1.451 1.00 51.03 H new ATOM 0 HA ARG A 172 22.286 23.233 3.809 1.00 31.42 H new ATOM 0 HB2 ARG A 172 24.851 22.913 2.788 1.00 65.12 H new ATOM 0 HB3 ARG A 172 24.715 24.655 2.921 1.00 65.12 H new ATOM 0 HG2 ARG A 172 25.512 24.171 5.024 1.00 62.24 H new ATOM 0 HG3 ARG A 172 23.790 24.098 5.345 1.00 62.24 H new ATOM 0 HD2 ARG A 172 24.414 21.513 4.443 1.00 75.21 H new ATOM 0 HD3 ARG A 172 25.796 21.958 5.425 1.00 75.21 H new ATOM 0 HE ARG A 172 23.305 22.605 6.768 1.00 71.34 H new ATOM 0 HH11 ARG A 172 25.523 19.981 5.953 1.00 54.22 H new ATOM 0 HH12 ARG A 172 25.045 18.993 7.337 1.00 54.22 H new ATOM 0 HH21 ARG A 172 22.699 21.329 8.546 1.00 50.52 H new ATOM 0 HH22 ARG A 172 23.454 19.752 8.798 1.00 50.52 H new ATOM 2276 N GLU A 173 22.654 25.526 1.454 1.00 1.42 N ATOM 2277 CA GLU A 173 22.206 26.846 1.026 1.00 14.20 C ATOM 2278 C GLU A 173 20.682 26.924 1.008 1.00 73.42 C ATOM 2279 O GLU A 173 20.088 27.840 1.579 1.00 62.41 O ATOM 2280 CB GLU A 173 22.760 27.172 -0.362 1.00 43.22 C ATOM 2281 CG GLU A 173 24.059 27.960 -0.329 1.00 41.21 C ATOM 2282 CD GLU A 173 24.866 27.809 -1.604 1.00 53.32 C ATOM 2283 OE1 GLU A 173 25.642 26.836 -1.705 1.00 14.25 O ATOM 2284 OE2 GLU A 173 24.720 28.665 -2.502 1.00 41.12 O ATOM 0 H GLU A 173 23.258 25.048 0.786 1.00 1.42 H new ATOM 0 HA GLU A 173 22.582 27.578 1.741 1.00 14.20 H new ATOM 0 HB2 GLU A 173 22.923 26.242 -0.907 1.00 43.22 H new ATOM 0 HB3 GLU A 173 22.014 27.740 -0.917 1.00 43.22 H new ATOM 0 HG2 GLU A 173 23.836 29.015 -0.168 1.00 41.21 H new ATOM 0 HG3 GLU A 173 24.659 27.628 0.518 1.00 41.21 H new ATOM 2291 N LEU A 174 20.054 25.957 0.348 1.00 61.42 N ATOM 2292 CA LEU A 174 18.599 25.914 0.254 1.00 51.12 C ATOM 2293 C LEU A 174 17.962 25.953 1.639 1.00 24.14 C ATOM 2294 O LEU A 174 16.910 26.562 1.833 1.00 2.03 O ATOM 2295 CB LEU A 174 18.153 24.654 -0.490 1.00 32.13 C ATOM 2296 CG LEU A 174 18.692 24.487 -1.911 1.00 35.00 C ATOM 2297 CD1 LEU A 174 19.123 23.049 -2.153 1.00 31.11 C ATOM 2298 CD2 LEU A 174 17.645 24.911 -2.931 1.00 71.42 C ATOM 0 H LEU A 174 20.530 25.192 -0.130 1.00 61.42 H new ATOM 0 HA LEU A 174 18.270 26.792 -0.302 1.00 51.12 H new ATOM 0 HB2 LEU A 174 18.454 23.785 0.095 1.00 32.13 H new ATOM 0 HB3 LEU A 174 17.064 24.648 -0.533 1.00 32.13 H new ATOM 0 HG LEU A 174 19.565 25.130 -2.026 1.00 35.00 H new ATOM 0 HD11 LEU A 174 19.504 22.949 -3.169 1.00 31.11 H new ATOM 0 HD12 LEU A 174 19.906 22.780 -1.444 1.00 31.11 H new ATOM 0 HD13 LEU A 174 18.269 22.386 -2.019 1.00 31.11 H new ATOM 0 HD21 LEU A 174 18.045 24.786 -3.937 1.00 71.42 H new ATOM 0 HD22 LEU A 174 16.754 24.294 -2.816 1.00 71.42 H new ATOM 0 HD23 LEU A 174 17.385 25.957 -2.772 1.00 71.42 H new ATOM 2310 N ASP A 175 18.608 25.301 2.600 1.00 43.01 N ATOM 2311 CA ASP A 175 18.107 25.264 3.969 1.00 64.41 C ATOM 2312 C ASP A 175 18.269 26.622 4.644 1.00 23.12 C ATOM 2313 O ASP A 175 17.299 27.205 5.125 1.00 12.55 O ATOM 2314 CB ASP A 175 18.841 24.189 4.774 1.00 54.42 C ATOM 2315 CG ASP A 175 18.063 23.752 5.999 1.00 13.55 C ATOM 2316 OD1 ASP A 175 17.253 24.557 6.507 1.00 4.21 O ATOM 2317 OD2 ASP A 175 18.262 22.605 6.451 1.00 44.54 O ATOM 0 H ASP A 175 19.480 24.791 2.456 1.00 43.01 H new ATOM 0 HA ASP A 175 17.045 25.020 3.935 1.00 64.41 H new ATOM 0 HB2 ASP A 175 19.025 23.324 4.137 1.00 54.42 H new ATOM 0 HB3 ASP A 175 19.814 24.571 5.082 1.00 54.42 H new ATOM 2322 N GLU A 176 19.502 27.118 4.676 1.00 3.12 N ATOM 2323 CA GLU A 176 19.791 28.407 5.295 1.00 75.25 C ATOM 2324 C GLU A 176 18.929 29.508 4.683 1.00 5.41 C ATOM 2325 O GLU A 176 18.238 30.239 5.394 1.00 22.34 O ATOM 2326 CB GLU A 176 21.272 28.754 5.134 1.00 0.34 C ATOM 2327 CG GLU A 176 22.103 28.460 6.372 1.00 65.34 C ATOM 2328 CD GLU A 176 23.357 29.309 6.448 1.00 44.03 C ATOM 2329 OE1 GLU A 176 23.564 30.143 5.541 1.00 21.02 O ATOM 2330 OE2 GLU A 176 24.132 29.140 7.413 1.00 74.14 O ATOM 0 H GLU A 176 20.316 26.647 4.281 1.00 3.12 H new ATOM 0 HA GLU A 176 19.557 28.333 6.357 1.00 75.25 H new ATOM 0 HB2 GLU A 176 21.679 28.194 4.292 1.00 0.34 H new ATOM 0 HB3 GLU A 176 21.364 29.812 4.887 1.00 0.34 H new ATOM 0 HG2 GLU A 176 21.497 28.633 7.261 1.00 65.34 H new ATOM 0 HG3 GLU A 176 22.381 27.406 6.376 1.00 65.34 H new ATOM 2337 N LEU A 177 18.977 29.622 3.360 1.00 11.44 N ATOM 2338 CA LEU A 177 18.202 30.635 2.652 1.00 70.15 C ATOM 2339 C LEU A 177 16.731 30.575 3.052 1.00 25.33 C ATOM 2340 O LEU A 177 16.077 31.606 3.206 1.00 24.43 O ATOM 2341 CB LEU A 177 18.339 30.444 1.140 1.00 53.31 C ATOM 2342 CG LEU A 177 19.475 31.214 0.466 1.00 2.24 C ATOM 2343 CD1 LEU A 177 20.795 30.943 1.171 1.00 21.52 C ATOM 2344 CD2 LEU A 177 19.569 30.845 -1.007 1.00 4.40 C ATOM 0 H LEU A 177 19.544 29.026 2.757 1.00 11.44 H new ATOM 0 HA LEU A 177 18.594 31.614 2.926 1.00 70.15 H new ATOM 0 HB2 LEU A 177 18.478 29.382 0.939 1.00 53.31 H new ATOM 0 HB3 LEU A 177 17.400 30.737 0.670 1.00 53.31 H new ATOM 0 HG LEU A 177 19.260 32.280 0.540 1.00 2.24 H new ATOM 0 HD11 LEU A 177 21.592 31.499 0.678 1.00 21.52 H new ATOM 0 HD12 LEU A 177 20.723 31.258 2.212 1.00 21.52 H new ATOM 0 HD13 LEU A 177 21.017 29.877 1.130 1.00 21.52 H new ATOM 0 HD21 LEU A 177 20.383 31.403 -1.471 1.00 4.40 H new ATOM 0 HD22 LEU A 177 19.761 29.776 -1.103 1.00 4.40 H new ATOM 0 HD23 LEU A 177 18.631 31.091 -1.504 1.00 4.40 H new ATOM 2356 N MET A 178 16.219 29.360 3.221 1.00 11.24 N ATOM 2357 CA MET A 178 14.826 29.166 3.608 1.00 42.01 C ATOM 2358 C MET A 178 14.520 29.886 4.917 1.00 20.15 C ATOM 2359 O MET A 178 13.469 30.510 5.062 1.00 4.04 O ATOM 2360 CB MET A 178 14.517 27.674 3.748 1.00 53.30 C ATOM 2361 CG MET A 178 13.562 27.150 2.688 1.00 33.31 C ATOM 2362 SD MET A 178 12.127 26.318 3.396 1.00 22.13 S ATOM 2363 CE MET A 178 12.724 24.632 3.487 1.00 61.30 C ATOM 0 H MET A 178 16.747 28.496 3.096 1.00 11.24 H new ATOM 0 HA MET A 178 14.195 29.589 2.826 1.00 42.01 H new ATOM 0 HB2 MET A 178 15.449 27.112 3.696 1.00 53.30 H new ATOM 0 HB3 MET A 178 14.089 27.491 4.734 1.00 53.30 H new ATOM 0 HG2 MET A 178 13.226 27.979 2.066 1.00 33.31 H new ATOM 0 HG3 MET A 178 14.094 26.457 2.036 1.00 33.31 H new ATOM 0 HE1 MET A 178 11.947 23.993 3.906 1.00 61.30 H new ATOM 0 HE2 MET A 178 12.981 24.283 2.487 1.00 61.30 H new ATOM 0 HE3 MET A 178 13.608 24.593 4.123 1.00 61.30 H new ATOM 2373 N ALA A 179 15.444 29.794 5.868 1.00 2.01 N ATOM 2374 CA ALA A 179 15.273 30.438 7.165 1.00 61.05 C ATOM 2375 C ALA A 179 15.276 31.957 7.028 1.00 64.22 C ATOM 2376 O ALA A 179 14.590 32.658 7.771 1.00 75.14 O ATOM 2377 CB ALA A 179 16.365 29.990 8.125 1.00 43.25 C ATOM 0 H ALA A 179 16.319 29.280 5.765 1.00 2.01 H new ATOM 0 HA ALA A 179 14.306 30.138 7.568 1.00 61.05 H new ATOM 0 HB1 ALA A 179 16.225 30.479 9.089 1.00 43.25 H new ATOM 0 HB2 ALA A 179 16.314 28.909 8.255 1.00 43.25 H new ATOM 0 HB3 ALA A 179 17.340 30.261 7.719 1.00 43.25 H new ATOM 2383 N SER A 180 16.055 32.459 6.074 1.00 35.22 N ATOM 2384 CA SER A 180 16.151 33.895 5.843 1.00 14.44 C ATOM 2385 C SER A 180 14.805 34.466 5.405 1.00 44.32 C ATOM 2386 O SER A 180 14.460 35.600 5.740 1.00 51.12 O ATOM 2387 CB SER A 180 17.214 34.193 4.784 1.00 15.11 C ATOM 2388 OG SER A 180 16.621 34.417 3.516 1.00 24.03 O ATOM 0 H SER A 180 16.628 31.892 5.449 1.00 35.22 H new ATOM 0 HA SER A 180 16.440 34.370 6.780 1.00 14.44 H new ATOM 0 HB2 SER A 180 17.791 35.070 5.079 1.00 15.11 H new ATOM 0 HB3 SER A 180 17.912 33.359 4.720 1.00 15.11 H new ATOM 0 HG SER A 180 16.305 33.566 3.148 1.00 24.03 H new ATOM 2394 N LEU A 181 14.050 33.673 4.653 1.00 21.14 N ATOM 2395 CA LEU A 181 12.742 34.098 4.168 1.00 73.43 C ATOM 2396 C LEU A 181 11.674 33.907 5.241 1.00 64.04 C ATOM 2397 O LEU A 181 10.743 34.704 5.352 1.00 32.21 O ATOM 2398 CB LEU A 181 12.363 33.313 2.910 1.00 21.35 C ATOM 2399 CG LEU A 181 13.138 33.666 1.640 1.00 32.43 C ATOM 2400 CD1 LEU A 181 13.174 32.479 0.690 1.00 73.11 C ATOM 2401 CD2 LEU A 181 12.521 34.878 0.959 1.00 50.41 C ATOM 0 H LEU A 181 14.321 32.733 4.366 1.00 21.14 H new ATOM 0 HA LEU A 181 12.800 35.159 3.924 1.00 73.43 H new ATOM 0 HB2 LEU A 181 12.502 32.251 3.113 1.00 21.35 H new ATOM 0 HB3 LEU A 181 11.301 33.465 2.718 1.00 21.35 H new ATOM 0 HG LEU A 181 14.162 33.913 1.919 1.00 32.43 H new ATOM 0 HD11 LEU A 181 13.730 32.749 -0.208 1.00 73.11 H new ATOM 0 HD12 LEU A 181 13.662 31.636 1.179 1.00 73.11 H new ATOM 0 HD13 LEU A 181 12.156 32.200 0.417 1.00 73.11 H new ATOM 0 HD21 LEU A 181 13.085 35.115 0.057 1.00 50.41 H new ATOM 0 HD22 LEU A 181 11.487 34.659 0.693 1.00 50.41 H new ATOM 0 HD23 LEU A 181 12.548 35.730 1.638 1.00 50.41 H new ATOM 2413 N SER A 182 11.818 32.847 6.029 1.00 21.23 N ATOM 2414 CA SER A 182 10.866 32.550 7.093 1.00 54.51 C ATOM 2415 C SER A 182 10.803 33.694 8.101 1.00 43.34 C ATOM 2416 O SER A 182 9.735 34.247 8.363 1.00 2.25 O ATOM 2417 CB SER A 182 11.249 31.251 7.803 1.00 64.33 C ATOM 2418 OG SER A 182 10.133 30.682 8.464 1.00 12.15 O ATOM 0 H SER A 182 12.585 32.179 5.951 1.00 21.23 H new ATOM 0 HA SER A 182 9.881 32.431 6.641 1.00 54.51 H new ATOM 0 HB2 SER A 182 11.647 30.541 7.078 1.00 64.33 H new ATOM 0 HB3 SER A 182 12.042 31.448 8.525 1.00 64.33 H new ATOM 0 HG SER A 182 10.404 29.852 8.908 1.00 12.15 H new ATOM 2424 N ASP A 183 11.956 34.043 8.661 1.00 12.44 N ATOM 2425 CA ASP A 183 12.034 35.122 9.640 1.00 62.11 C ATOM 2426 C ASP A 183 13.486 35.506 9.911 1.00 73.55 C ATOM 2427 O ASP A 183 13.762 36.421 10.687 1.00 54.54 O ATOM 2428 CB ASP A 183 11.352 34.707 10.944 1.00 32.41 C ATOM 2429 CG ASP A 183 10.570 35.842 11.575 1.00 31.23 C ATOM 2430 OD1 ASP A 183 11.030 36.999 11.488 1.00 40.23 O ATOM 2431 OD2 ASP A 183 9.498 35.573 12.158 1.00 62.32 O ATOM 0 H ASP A 183 12.849 33.595 8.454 1.00 12.44 H new ATOM 0 HA ASP A 183 11.518 35.990 9.229 1.00 62.11 H new ATOM 0 HB2 ASP A 183 10.680 33.871 10.749 1.00 32.41 H new ATOM 0 HB3 ASP A 183 12.105 34.353 11.648 1.00 32.41 H new