USER MOD reduce.3.24.130724 H: found=0, std=0, add=1136, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1136 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 TYR OH : rot 165:sc= -1.3 USER MOD Set 1.2: A 103 GLN : amide:sc= -4.15! C(o=-5.5!,f=-5.8!) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 110 MET CE :methyl -125:sc= -0.674 (180deg=-3.75!) 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= -0.197 X(o=-0.2,f=0) USER MOD Single : A 19 THR OG1 : rot 75:sc= 0.135 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.14) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 MET CE :methyl -164:sc= -1.21 (180deg=-1.28) USER MOD Single : A 45 LYS NZ :NH3+ 132:sc= -0.388 (180deg=-2.91!) USER MOD Single : A 53 THR OG1 : rot 65:sc= 1.17 USER MOD Single : A 57 THR OG1 : rot -37:sc= -1.11 USER MOD Single : A 61 SER OG : rot -70:sc= 0.245 USER MOD Single : A 68 SER OG : rot 126:sc= -2.82! USER MOD Single : A 69 THR OG1 : rot -46:sc= 0.687 USER MOD Single : A 70 HIS : no HD1:sc= -0.809 K(o=-0.81,f=-1.4) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 89 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.72) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 137:sc= -1.45 (180deg=-5.56!) USER MOD Single : A 92 LYS NZ :NH3+ 172:sc= 0.083 (180deg=0.0496) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -111:sc= -0.378 (180deg=-2.39!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0318 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0.0847 K(o=0.085,f=-3!) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0999 USER MOD Single : A 107 LYS NZ :NH3+ 144:sc= 0.304 (180deg=-1.28!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -123:sc= -0.78 (180deg=-2.92!) USER MOD Single : A 123 ASN : amide:sc= -0.683 K(o=-0.68,f=-2.3!) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 MET CE :methyl -172:sc= 0 (180deg=-0.11) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 178 MET CE :methyl -164:sc=-0.00733 (180deg=-0.13) USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N ASP A 12 5.938 12.937 -13.902 1.00 40.13 N ATOM 123 CA ASP A 12 4.910 13.951 -14.107 1.00 31.00 C ATOM 124 C ASP A 12 5.041 15.072 -13.081 1.00 13.31 C ATOM 125 O ASP A 12 4.680 16.219 -13.348 1.00 61.34 O ATOM 126 CB ASP A 12 3.519 13.322 -14.019 1.00 34.00 C ATOM 127 CG ASP A 12 2.464 14.148 -14.729 1.00 70.21 C ATOM 128 OD1 ASP A 12 2.804 14.808 -15.733 1.00 52.14 O ATOM 129 OD2 ASP A 12 1.299 14.133 -14.281 1.00 54.01 O ATOM 0 HA ASP A 12 5.046 14.376 -15.102 1.00 31.00 H new ATOM 0 HB2 ASP A 12 3.547 12.323 -14.454 1.00 34.00 H new ATOM 0 HB3 ASP A 12 3.241 13.206 -12.971 1.00 34.00 H new ATOM 134 N LYS A 13 5.558 14.734 -11.905 1.00 32.42 N ATOM 135 CA LYS A 13 5.737 15.711 -10.837 1.00 71.43 C ATOM 136 C LYS A 13 6.641 16.852 -11.291 1.00 11.51 C ATOM 137 O LYS A 13 6.261 18.022 -11.225 1.00 63.33 O ATOM 138 CB LYS A 13 6.330 15.038 -9.597 1.00 12.51 C ATOM 139 CG LYS A 13 5.992 15.751 -8.299 1.00 33.12 C ATOM 140 CD LYS A 13 7.117 16.673 -7.859 1.00 54.15 C ATOM 141 CE LYS A 13 6.671 17.602 -6.741 1.00 11.32 C ATOM 142 NZ LYS A 13 7.318 17.260 -5.444 1.00 63.32 N ATOM 0 H LYS A 13 5.861 13.790 -11.667 1.00 32.42 H new ATOM 0 HA LYS A 13 4.759 16.123 -10.586 1.00 71.43 H new ATOM 0 HB2 LYS A 13 5.968 14.011 -9.543 1.00 12.51 H new ATOM 0 HB3 LYS A 13 7.414 14.989 -9.704 1.00 12.51 H new ATOM 0 HG2 LYS A 13 5.077 16.329 -8.428 1.00 33.12 H new ATOM 0 HG3 LYS A 13 5.797 15.015 -7.519 1.00 33.12 H new ATOM 0 HD2 LYS A 13 7.966 16.078 -7.522 1.00 54.15 H new ATOM 0 HD3 LYS A 13 7.459 17.263 -8.709 1.00 54.15 H new ATOM 0 HE2 LYS A 13 6.912 18.631 -7.007 1.00 11.32 H new ATOM 0 HE3 LYS A 13 5.588 17.546 -6.632 1.00 11.32 H new ATOM 0 HZ1 LYS A 13 6.988 17.916 -4.708 1.00 63.32 H new ATOM 0 HZ2 LYS A 13 7.068 16.286 -5.177 1.00 63.32 H new ATOM 0 HZ3 LYS A 13 8.351 17.338 -5.540 1.00 63.32 H new ATOM 156 N VAL A 14 7.838 16.506 -11.752 1.00 64.23 N ATOM 157 CA VAL A 14 8.795 17.502 -12.219 1.00 64.43 C ATOM 158 C VAL A 14 8.262 18.248 -13.437 1.00 13.12 C ATOM 159 O VAL A 14 8.521 19.439 -13.611 1.00 23.01 O ATOM 160 CB VAL A 14 10.147 16.856 -12.578 1.00 50.14 C ATOM 161 CG1 VAL A 14 9.972 15.835 -13.692 1.00 30.31 C ATOM 162 CG2 VAL A 14 11.157 17.922 -12.975 1.00 62.13 C ATOM 0 H VAL A 14 8.169 15.543 -11.812 1.00 64.23 H new ATOM 0 HA VAL A 14 8.943 18.207 -11.401 1.00 64.43 H new ATOM 0 HB VAL A 14 10.527 16.337 -11.698 1.00 50.14 H new ATOM 0 HG11 VAL A 14 10.937 15.389 -13.932 1.00 30.31 H new ATOM 0 HG12 VAL A 14 9.283 15.055 -13.366 1.00 30.31 H new ATOM 0 HG13 VAL A 14 9.570 16.328 -14.577 1.00 30.31 H new ATOM 0 HG21 VAL A 14 12.106 17.449 -13.225 1.00 62.13 H new ATOM 0 HG22 VAL A 14 10.786 18.471 -13.841 1.00 62.13 H new ATOM 0 HG23 VAL A 14 11.304 18.612 -12.144 1.00 62.13 H new ATOM 172 N TYR A 15 7.514 17.541 -14.277 1.00 23.44 N ATOM 173 CA TYR A 15 6.945 18.136 -15.480 1.00 31.51 C ATOM 174 C TYR A 15 5.817 19.101 -15.129 1.00 3.51 C ATOM 175 O TYR A 15 5.470 19.980 -15.918 1.00 24.32 O ATOM 176 CB TYR A 15 6.423 17.044 -16.416 1.00 45.01 C ATOM 177 CG TYR A 15 5.836 17.579 -17.702 1.00 51.43 C ATOM 178 CD1 TYR A 15 6.468 18.595 -18.409 1.00 25.24 C ATOM 179 CD2 TYR A 15 4.648 17.069 -18.212 1.00 22.33 C ATOM 180 CE1 TYR A 15 5.935 19.087 -19.584 1.00 14.44 C ATOM 181 CE2 TYR A 15 4.108 17.554 -19.387 1.00 12.12 C ATOM 182 CZ TYR A 15 4.754 18.564 -20.069 1.00 24.32 C ATOM 183 OH TYR A 15 4.220 19.051 -21.240 1.00 22.33 O ATOM 0 H TYR A 15 7.288 16.555 -14.147 1.00 23.44 H new ATOM 0 HA TYR A 15 7.733 18.694 -15.986 1.00 31.51 H new ATOM 0 HB2 TYR A 15 7.239 16.362 -16.655 1.00 45.01 H new ATOM 0 HB3 TYR A 15 5.663 16.462 -15.894 1.00 45.01 H new ATOM 0 HD1 TYR A 15 7.393 19.007 -18.033 1.00 25.24 H new ATOM 0 HD2 TYR A 15 4.138 16.279 -17.680 1.00 22.33 H new ATOM 0 HE1 TYR A 15 6.440 19.877 -20.120 1.00 14.44 H new ATOM 0 HE2 TYR A 15 3.185 17.145 -19.770 1.00 12.12 H new ATOM 0 HH TYR A 15 3.388 18.575 -21.443 1.00 22.33 H new ATOM 193 N GLU A 16 5.250 18.931 -13.939 1.00 3.44 N ATOM 194 CA GLU A 16 4.162 19.788 -13.482 1.00 73.24 C ATOM 195 C GLU A 16 4.698 21.117 -12.958 1.00 61.32 C ATOM 196 O GLU A 16 4.271 22.185 -13.393 1.00 43.34 O ATOM 197 CB GLU A 16 3.354 19.085 -12.390 1.00 33.33 C ATOM 198 CG GLU A 16 2.433 17.998 -12.918 1.00 35.11 C ATOM 199 CD GLU A 16 0.968 18.380 -12.827 1.00 72.43 C ATOM 200 OE1 GLU A 16 0.610 19.478 -13.301 1.00 0.35 O ATOM 201 OE2 GLU A 16 0.179 17.579 -12.283 1.00 23.42 O ATOM 0 H GLU A 16 5.526 18.208 -13.274 1.00 3.44 H new ATOM 0 HA GLU A 16 3.511 19.990 -14.333 1.00 73.24 H new ATOM 0 HB2 GLU A 16 4.041 18.647 -11.666 1.00 33.33 H new ATOM 0 HB3 GLU A 16 2.759 19.826 -11.856 1.00 33.33 H new ATOM 0 HG2 GLU A 16 2.686 17.786 -13.957 1.00 35.11 H new ATOM 0 HG3 GLU A 16 2.601 17.080 -12.355 1.00 35.11 H new ATOM 208 N ASN A 17 5.636 21.041 -12.020 1.00 24.41 N ATOM 209 CA ASN A 17 6.231 22.237 -11.435 1.00 32.13 C ATOM 210 C ASN A 17 6.766 23.166 -12.521 1.00 33.54 C ATOM 211 O ASN A 17 6.611 24.384 -12.442 1.00 51.31 O ATOM 212 CB ASN A 17 7.359 21.854 -10.475 1.00 32.35 C ATOM 213 CG ASN A 17 7.090 22.313 -9.054 1.00 43.25 C ATOM 214 OD1 ASN A 17 7.075 23.511 -8.770 1.00 73.12 O ATOM 215 ND2 ASN A 17 6.878 21.360 -8.155 1.00 34.13 N ATOM 0 H ASN A 17 6.001 20.164 -11.649 1.00 24.41 H new ATOM 0 HA ASN A 17 5.455 22.764 -10.881 1.00 32.13 H new ATOM 0 HB2 ASN A 17 7.490 20.772 -10.486 1.00 32.35 H new ATOM 0 HB3 ASN A 17 8.294 22.292 -10.824 1.00 32.35 H new ATOM 0 HD21 ASN A 17 6.693 21.608 -7.183 1.00 34.13 H new ATOM 0 HD22 ASN A 17 6.900 20.380 -8.436 1.00 34.13 H new ATOM 222 N VAL A 18 7.396 22.580 -13.535 1.00 14.45 N ATOM 223 CA VAL A 18 7.952 23.354 -14.638 1.00 1.43 C ATOM 224 C VAL A 18 6.880 24.208 -15.306 1.00 3.23 C ATOM 225 O VAL A 18 7.183 25.212 -15.952 1.00 71.22 O ATOM 226 CB VAL A 18 8.597 22.440 -15.696 1.00 24.43 C ATOM 227 CG1 VAL A 18 9.106 23.259 -16.872 1.00 2.34 C ATOM 228 CG2 VAL A 18 9.722 21.623 -15.078 1.00 62.42 C ATOM 0 H VAL A 18 7.534 21.572 -13.615 1.00 14.45 H new ATOM 0 HA VAL A 18 8.718 24.003 -14.214 1.00 1.43 H new ATOM 0 HB VAL A 18 7.838 21.751 -16.067 1.00 24.43 H new ATOM 0 HG11 VAL A 18 9.558 22.595 -17.609 1.00 2.34 H new ATOM 0 HG12 VAL A 18 8.274 23.795 -17.329 1.00 2.34 H new ATOM 0 HG13 VAL A 18 9.851 23.974 -16.522 1.00 2.34 H new ATOM 0 HG21 VAL A 18 10.167 20.982 -15.839 1.00 62.42 H new ATOM 0 HG22 VAL A 18 10.482 22.294 -14.679 1.00 62.42 H new ATOM 0 HG23 VAL A 18 9.324 21.006 -14.272 1.00 62.42 H new ATOM 238 N THR A 19 5.624 23.804 -15.145 1.00 70.23 N ATOM 239 CA THR A 19 4.506 24.531 -15.733 1.00 70.10 C ATOM 240 C THR A 19 3.909 25.519 -14.738 1.00 34.03 C ATOM 241 O THR A 19 3.695 26.687 -15.060 1.00 20.12 O ATOM 242 CB THR A 19 3.401 23.571 -16.212 1.00 31.41 C ATOM 243 OG1 THR A 19 3.979 22.333 -16.641 1.00 44.12 O ATOM 244 CG2 THR A 19 2.605 24.187 -17.353 1.00 3.14 C ATOM 0 H THR A 19 5.355 22.977 -14.612 1.00 70.23 H new ATOM 0 HA THR A 19 4.900 25.076 -16.591 1.00 70.10 H new ATOM 0 HB THR A 19 2.725 23.386 -15.377 1.00 31.41 H new ATOM 0 HG1 THR A 19 4.254 21.811 -15.858 1.00 44.12 H new ATOM 0 HG21 THR A 19 1.831 23.490 -17.674 1.00 3.14 H new ATOM 0 HG22 THR A 19 2.142 25.114 -17.015 1.00 3.14 H new ATOM 0 HG23 THR A 19 3.272 24.399 -18.189 1.00 3.14 H new ATOM 252 N GLY A 20 3.641 25.042 -13.525 1.00 43.55 N ATOM 253 CA GLY A 20 3.071 25.898 -12.501 1.00 44.12 C ATOM 254 C GLY A 20 3.823 27.206 -12.355 1.00 13.44 C ATOM 255 O GLY A 20 3.222 28.281 -12.371 1.00 54.50 O ATOM 0 H GLY A 20 3.809 24.079 -13.234 1.00 43.55 H new ATOM 0 HA2 GLY A 20 2.029 26.107 -12.744 1.00 44.12 H new ATOM 0 HA3 GLY A 20 3.076 25.371 -11.547 1.00 44.12 H new ATOM 259 N LEU A 21 5.140 27.117 -12.209 1.00 41.01 N ATOM 260 CA LEU A 21 5.975 28.303 -12.057 1.00 42.40 C ATOM 261 C LEU A 21 5.689 29.316 -13.161 1.00 62.14 C ATOM 262 O LEU A 21 5.765 30.525 -12.944 1.00 45.33 O ATOM 263 CB LEU A 21 7.455 27.916 -12.076 1.00 32.52 C ATOM 264 CG LEU A 21 7.897 27.012 -13.227 1.00 21.51 C ATOM 265 CD1 LEU A 21 8.275 27.842 -14.443 1.00 42.52 C ATOM 266 CD2 LEU A 21 9.062 26.132 -12.797 1.00 32.41 C ATOM 0 H LEU A 21 5.653 26.236 -12.193 1.00 41.01 H new ATOM 0 HA LEU A 21 5.738 28.762 -11.097 1.00 42.40 H new ATOM 0 HB2 LEU A 21 8.049 28.830 -12.109 1.00 32.52 H new ATOM 0 HB3 LEU A 21 7.692 27.416 -11.137 1.00 32.52 H new ATOM 0 HG LEU A 21 7.061 26.367 -13.498 1.00 21.51 H new ATOM 0 HD11 LEU A 21 8.587 27.181 -15.252 1.00 42.52 H new ATOM 0 HD12 LEU A 21 7.415 28.429 -14.765 1.00 42.52 H new ATOM 0 HD13 LEU A 21 9.095 28.512 -14.185 1.00 42.52 H new ATOM 0 HD21 LEU A 21 9.363 25.495 -13.629 1.00 32.41 H new ATOM 0 HD22 LEU A 21 9.901 26.760 -12.498 1.00 32.41 H new ATOM 0 HD23 LEU A 21 8.757 25.510 -11.956 1.00 32.41 H new ATOM 278 N VAL A 22 5.358 28.813 -14.346 1.00 55.45 N ATOM 279 CA VAL A 22 5.056 29.674 -15.484 1.00 64.35 C ATOM 280 C VAL A 22 3.817 30.521 -15.220 1.00 75.43 C ATOM 281 O VAL A 22 3.843 31.743 -15.367 1.00 33.20 O ATOM 282 CB VAL A 22 4.839 28.851 -16.768 1.00 74.31 C ATOM 283 CG1 VAL A 22 4.733 29.766 -17.978 1.00 41.31 C ATOM 284 CG2 VAL A 22 5.961 27.841 -16.950 1.00 24.42 C ATOM 0 H VAL A 22 5.292 27.814 -14.543 1.00 55.45 H new ATOM 0 HA VAL A 22 5.916 30.329 -15.622 1.00 64.35 H new ATOM 0 HB VAL A 22 3.901 28.304 -16.673 1.00 74.31 H new ATOM 0 HG11 VAL A 22 4.580 29.166 -18.875 1.00 41.31 H new ATOM 0 HG12 VAL A 22 3.891 30.446 -17.848 1.00 41.31 H new ATOM 0 HG13 VAL A 22 5.652 30.343 -18.080 1.00 41.31 H new ATOM 0 HG21 VAL A 22 5.791 27.269 -17.862 1.00 24.42 H new ATOM 0 HG22 VAL A 22 6.914 28.365 -17.023 1.00 24.42 H new ATOM 0 HG23 VAL A 22 5.983 27.164 -16.096 1.00 24.42 H new ATOM 294 N LYS A 23 2.730 29.863 -14.829 1.00 42.21 N ATOM 295 CA LYS A 23 1.479 30.554 -14.542 1.00 11.41 C ATOM 296 C LYS A 23 1.707 31.716 -13.580 1.00 23.44 C ATOM 297 O LYS A 23 1.047 32.750 -13.672 1.00 35.40 O ATOM 298 CB LYS A 23 0.459 29.580 -13.949 1.00 55.01 C ATOM 299 CG LYS A 23 0.294 28.305 -14.758 1.00 22.23 C ATOM 300 CD LYS A 23 -0.868 27.468 -14.249 1.00 42.14 C ATOM 301 CE LYS A 23 -0.740 26.016 -14.682 1.00 70.53 C ATOM 302 NZ LYS A 23 -1.608 25.117 -13.872 1.00 21.11 N ATOM 0 H LYS A 23 2.691 28.851 -14.704 1.00 42.21 H new ATOM 0 HA LYS A 23 1.090 30.952 -15.479 1.00 11.41 H new ATOM 0 HB2 LYS A 23 0.764 29.320 -12.935 1.00 55.01 H new ATOM 0 HB3 LYS A 23 -0.507 30.080 -13.873 1.00 55.01 H new ATOM 0 HG2 LYS A 23 0.131 28.557 -15.806 1.00 22.23 H new ATOM 0 HG3 LYS A 23 1.213 27.721 -14.710 1.00 22.23 H new ATOM 0 HD2 LYS A 23 -0.908 27.522 -13.161 1.00 42.14 H new ATOM 0 HD3 LYS A 23 -1.806 27.879 -14.623 1.00 42.14 H new ATOM 0 HE2 LYS A 23 -1.007 25.926 -15.735 1.00 70.53 H new ATOM 0 HE3 LYS A 23 0.299 25.699 -14.588 1.00 70.53 H new ATOM 0 HZ1 LYS A 23 -1.492 24.136 -14.198 1.00 21.11 H new ATOM 0 HZ2 LYS A 23 -1.337 25.183 -12.870 1.00 21.11 H new ATOM 0 HZ3 LYS A 23 -2.602 25.403 -13.981 1.00 21.11 H new ATOM 316 N ALA A 24 2.648 31.538 -12.658 1.00 32.15 N ATOM 317 CA ALA A 24 2.965 32.572 -11.681 1.00 4.40 C ATOM 318 C ALA A 24 3.792 33.688 -12.312 1.00 21.31 C ATOM 319 O ALA A 24 3.560 34.869 -12.053 1.00 61.30 O ATOM 320 CB ALA A 24 3.705 31.970 -10.496 1.00 3.12 C ATOM 0 H ALA A 24 3.204 30.687 -12.568 1.00 32.15 H new ATOM 0 HA ALA A 24 2.028 33.004 -11.329 1.00 4.40 H new ATOM 0 HB1 ALA A 24 3.935 32.754 -9.774 1.00 3.12 H new ATOM 0 HB2 ALA A 24 3.079 31.213 -10.023 1.00 3.12 H new ATOM 0 HB3 ALA A 24 4.631 31.511 -10.841 1.00 3.12 H new ATOM 326 N VAL A 25 4.758 33.305 -13.141 1.00 5.43 N ATOM 327 CA VAL A 25 5.620 34.273 -13.809 1.00 51.50 C ATOM 328 C VAL A 25 4.798 35.290 -14.594 1.00 65.12 C ATOM 329 O VAL A 25 5.248 36.410 -14.839 1.00 31.11 O ATOM 330 CB VAL A 25 6.608 33.579 -14.765 1.00 52.54 C ATOM 331 CG1 VAL A 25 7.456 34.609 -15.497 1.00 34.01 C ATOM 332 CG2 VAL A 25 7.486 32.598 -14.004 1.00 34.03 C ATOM 0 H VAL A 25 4.963 32.332 -13.366 1.00 5.43 H new ATOM 0 HA VAL A 25 6.182 34.788 -13.030 1.00 51.50 H new ATOM 0 HB VAL A 25 6.037 33.020 -15.506 1.00 52.54 H new ATOM 0 HG11 VAL A 25 8.148 34.100 -16.168 1.00 34.01 H new ATOM 0 HG12 VAL A 25 6.809 35.268 -16.075 1.00 34.01 H new ATOM 0 HG13 VAL A 25 8.019 35.197 -14.773 1.00 34.01 H new ATOM 0 HG21 VAL A 25 8.178 32.117 -14.695 1.00 34.03 H new ATOM 0 HG22 VAL A 25 8.050 33.132 -13.239 1.00 34.03 H new ATOM 0 HG23 VAL A 25 6.860 31.841 -13.531 1.00 34.03 H new ATOM 342 N ILE A 26 3.593 34.892 -14.986 1.00 13.12 N ATOM 343 CA ILE A 26 2.708 35.769 -15.742 1.00 53.30 C ATOM 344 C ILE A 26 1.851 36.621 -14.811 1.00 72.43 C ATOM 345 O ILE A 26 1.866 37.849 -14.888 1.00 22.50 O ATOM 346 CB ILE A 26 1.786 34.967 -16.679 1.00 61.14 C ATOM 347 CG1 ILE A 26 2.607 33.993 -17.527 1.00 24.24 C ATOM 348 CG2 ILE A 26 0.987 35.907 -17.569 1.00 50.40 C ATOM 349 CD1 ILE A 26 1.769 33.153 -18.465 1.00 42.42 C ATOM 0 H ILE A 26 3.207 33.968 -14.793 1.00 13.12 H new ATOM 0 HA ILE A 26 3.345 36.419 -16.342 1.00 53.30 H new ATOM 0 HB ILE A 26 1.087 34.392 -16.071 1.00 61.14 H new ATOM 0 HG12 ILE A 26 3.335 34.557 -18.110 1.00 24.24 H new ATOM 0 HG13 ILE A 26 3.169 33.333 -16.866 1.00 24.24 H new ATOM 0 HG21 ILE A 26 0.340 35.325 -18.225 1.00 50.40 H new ATOM 0 HG22 ILE A 26 0.377 36.565 -16.949 1.00 50.40 H new ATOM 0 HG23 ILE A 26 1.670 36.506 -18.171 1.00 50.40 H new ATOM 0 HD11 ILE A 26 2.417 32.486 -19.034 1.00 42.42 H new ATOM 0 HD12 ILE A 26 1.058 32.562 -17.887 1.00 42.42 H new ATOM 0 HD13 ILE A 26 1.227 33.804 -19.151 1.00 42.42 H new ATOM 361 N GLU A 27 1.105 35.959 -13.932 1.00 24.24 N ATOM 362 CA GLU A 27 0.243 36.656 -12.985 1.00 33.21 C ATOM 363 C GLU A 27 1.018 37.736 -12.236 1.00 32.35 C ATOM 364 O GLU A 27 0.697 38.920 -12.326 1.00 13.35 O ATOM 365 CB GLU A 27 -0.365 35.665 -11.990 1.00 0.24 C ATOM 366 CG GLU A 27 -1.877 35.549 -12.092 1.00 5.52 C ATOM 367 CD GLU A 27 -2.598 36.662 -11.356 1.00 42.35 C ATOM 368 OE1 GLU A 27 -2.756 36.552 -10.123 1.00 31.25 O ATOM 369 OE2 GLU A 27 -3.004 37.643 -12.014 1.00 71.22 O ATOM 0 H GLU A 27 1.080 34.942 -13.856 1.00 24.24 H new ATOM 0 HA GLU A 27 -0.559 37.134 -13.547 1.00 33.21 H new ATOM 0 HB2 GLU A 27 0.078 34.682 -12.152 1.00 0.24 H new ATOM 0 HB3 GLU A 27 -0.100 35.971 -10.978 1.00 0.24 H new ATOM 0 HG2 GLU A 27 -2.169 35.564 -13.142 1.00 5.52 H new ATOM 0 HG3 GLU A 27 -2.192 34.587 -11.687 1.00 5.52 H new ATOM 376 N MET A 28 2.039 37.317 -11.496 1.00 24.12 N ATOM 377 CA MET A 28 2.861 38.248 -10.731 1.00 70.01 C ATOM 378 C MET A 28 3.418 39.347 -11.631 1.00 22.34 C ATOM 379 O MET A 28 3.575 40.491 -11.204 1.00 71.24 O ATOM 380 CB MET A 28 4.008 37.504 -10.045 1.00 1.14 C ATOM 381 CG MET A 28 5.125 37.101 -10.994 1.00 2.35 C ATOM 382 SD MET A 28 6.057 35.675 -10.404 1.00 22.14 S ATOM 383 CE MET A 28 7.737 36.232 -10.676 1.00 5.32 C ATOM 0 H MET A 28 2.317 36.339 -11.410 1.00 24.12 H new ATOM 0 HA MET A 28 2.231 38.710 -9.971 1.00 70.01 H new ATOM 0 HB2 MET A 28 4.421 38.136 -9.258 1.00 1.14 H new ATOM 0 HB3 MET A 28 3.613 36.610 -9.562 1.00 1.14 H new ATOM 0 HG2 MET A 28 4.701 36.874 -11.972 1.00 2.35 H new ATOM 0 HG3 MET A 28 5.804 37.943 -11.129 1.00 2.35 H new ATOM 0 HE1 MET A 28 8.434 35.456 -10.359 1.00 5.32 H new ATOM 0 HE2 MET A 28 7.884 36.440 -11.736 1.00 5.32 H new ATOM 0 HE3 MET A 28 7.917 37.139 -10.099 1.00 5.32 H new ATOM 393 N SER A 29 3.716 38.991 -12.876 1.00 52.43 N ATOM 394 CA SER A 29 4.260 39.947 -13.835 1.00 35.35 C ATOM 395 C SER A 29 3.235 41.029 -14.164 1.00 24.42 C ATOM 396 O SER A 29 3.593 42.139 -14.555 1.00 45.33 O ATOM 397 CB SER A 29 4.689 39.228 -15.115 1.00 41.42 C ATOM 398 OG SER A 29 4.537 40.068 -16.246 1.00 50.14 O ATOM 0 H SER A 29 3.590 38.048 -13.245 1.00 52.43 H new ATOM 0 HA SER A 29 5.131 40.422 -13.384 1.00 35.35 H new ATOM 0 HB2 SER A 29 5.729 38.914 -15.028 1.00 41.42 H new ATOM 0 HB3 SER A 29 4.093 38.325 -15.246 1.00 41.42 H new ATOM 0 HG SER A 29 4.819 39.586 -17.051 1.00 50.14 H new ATOM 404 N SER A 30 1.959 40.695 -14.002 1.00 11.10 N ATOM 405 CA SER A 30 0.881 41.636 -14.285 1.00 63.33 C ATOM 406 C SER A 30 0.802 42.712 -13.207 1.00 31.23 C ATOM 407 O SER A 30 0.748 43.905 -13.506 1.00 21.02 O ATOM 408 CB SER A 30 -0.455 40.898 -14.385 1.00 32.11 C ATOM 409 OG SER A 30 -1.341 41.564 -15.268 1.00 63.35 O ATOM 0 H SER A 30 1.646 39.780 -13.676 1.00 11.10 H new ATOM 0 HA SER A 30 1.094 42.118 -15.239 1.00 63.33 H new ATOM 0 HB2 SER A 30 -0.286 39.879 -14.734 1.00 32.11 H new ATOM 0 HB3 SER A 30 -0.908 40.825 -13.397 1.00 32.11 H new ATOM 0 HG SER A 30 -2.187 41.071 -15.316 1.00 63.35 H new ATOM 415 N LYS A 31 0.795 42.281 -11.950 1.00 0.22 N ATOM 416 CA LYS A 31 0.724 43.205 -10.824 1.00 55.42 C ATOM 417 C LYS A 31 2.100 43.411 -10.201 1.00 23.13 C ATOM 418 O LYS A 31 2.213 43.810 -9.041 1.00 64.12 O ATOM 419 CB LYS A 31 -0.253 42.682 -9.769 1.00 30.52 C ATOM 420 CG LYS A 31 0.058 41.271 -9.300 1.00 35.41 C ATOM 421 CD LYS A 31 -0.454 41.026 -7.890 1.00 54.22 C ATOM 422 CE LYS A 31 -1.839 40.396 -7.901 1.00 44.04 C ATOM 423 NZ LYS A 31 -2.905 41.404 -8.153 1.00 11.52 N ATOM 0 H LYS A 31 0.838 41.297 -11.685 1.00 0.22 H new ATOM 0 HA LYS A 31 0.367 44.165 -11.197 1.00 55.42 H new ATOM 0 HB2 LYS A 31 -0.241 43.353 -8.910 1.00 30.52 H new ATOM 0 HB3 LYS A 31 -1.263 42.706 -10.178 1.00 30.52 H new ATOM 0 HG2 LYS A 31 -0.395 40.552 -9.982 1.00 35.41 H new ATOM 0 HG3 LYS A 31 1.135 41.105 -9.331 1.00 35.41 H new ATOM 0 HD2 LYS A 31 0.239 40.374 -7.358 1.00 54.22 H new ATOM 0 HD3 LYS A 31 -0.487 41.969 -7.345 1.00 54.22 H new ATOM 0 HE2 LYS A 31 -1.881 39.624 -8.669 1.00 44.04 H new ATOM 0 HE3 LYS A 31 -2.022 39.905 -6.945 1.00 44.04 H new ATOM 0 HZ1 LYS A 31 -3.832 40.994 -7.921 1.00 11.52 H new ATOM 0 HZ2 LYS A 31 -2.738 42.241 -7.559 1.00 11.52 H new ATOM 0 HZ3 LYS A 31 -2.890 41.682 -9.155 1.00 11.52 H new ATOM 437 N ILE A 32 3.143 43.137 -10.977 1.00 43.32 N ATOM 438 CA ILE A 32 4.512 43.295 -10.501 1.00 12.11 C ATOM 439 C ILE A 32 4.798 44.744 -10.119 1.00 75.52 C ATOM 440 O ILE A 32 5.488 45.011 -9.136 1.00 42.45 O ATOM 441 CB ILE A 32 5.533 42.845 -11.562 1.00 73.34 C ATOM 442 CG1 ILE A 32 6.952 42.902 -10.993 1.00 51.44 C ATOM 443 CG2 ILE A 32 5.420 43.712 -12.807 1.00 73.24 C ATOM 444 CD1 ILE A 32 7.502 41.548 -10.604 1.00 44.35 C ATOM 0 H ILE A 32 3.066 42.804 -11.938 1.00 43.32 H new ATOM 0 HA ILE A 32 4.614 42.662 -9.619 1.00 12.11 H new ATOM 0 HB ILE A 32 5.315 41.814 -11.840 1.00 73.34 H new ATOM 0 HG12 ILE A 32 7.613 43.355 -11.732 1.00 51.44 H new ATOM 0 HG13 ILE A 32 6.958 43.553 -10.118 1.00 51.44 H new ATOM 0 HG21 ILE A 32 6.148 43.382 -13.548 1.00 73.24 H new ATOM 0 HG22 ILE A 32 4.416 43.625 -13.221 1.00 73.24 H new ATOM 0 HG23 ILE A 32 5.615 44.752 -12.545 1.00 73.24 H new ATOM 0 HD11 ILE A 32 8.511 41.665 -10.209 1.00 44.35 H new ATOM 0 HD12 ILE A 32 6.863 41.101 -9.842 1.00 44.35 H new ATOM 0 HD13 ILE A 32 7.528 40.901 -11.480 1.00 44.35 H new ATOM 456 N GLN A 33 4.260 45.673 -10.902 1.00 51.13 N ATOM 457 CA GLN A 33 4.457 47.095 -10.645 1.00 75.11 C ATOM 458 C GLN A 33 3.821 47.501 -9.320 1.00 15.41 C ATOM 459 O GLN A 33 4.492 47.962 -8.397 1.00 1.04 O ATOM 460 CB GLN A 33 3.866 47.927 -11.785 1.00 11.25 C ATOM 461 CG GLN A 33 4.914 48.511 -12.718 1.00 71.44 C ATOM 462 CD GLN A 33 4.676 49.977 -13.019 1.00 40.32 C ATOM 463 OE1 GLN A 33 5.503 50.831 -12.697 1.00 71.03 O ATOM 464 NE2 GLN A 33 3.541 50.278 -13.640 1.00 45.12 N ATOM 0 H GLN A 33 3.685 45.467 -11.719 1.00 51.13 H new ATOM 0 HA GLN A 33 5.529 47.283 -10.585 1.00 75.11 H new ATOM 0 HB2 GLN A 33 3.184 47.304 -12.363 1.00 11.25 H new ATOM 0 HB3 GLN A 33 3.275 48.739 -11.362 1.00 11.25 H new ATOM 0 HG2 GLN A 33 5.901 48.392 -12.270 1.00 71.44 H new ATOM 0 HG3 GLN A 33 4.918 47.948 -13.652 1.00 71.44 H new ATOM 0 HE21 GLN A 33 2.884 49.538 -13.888 1.00 45.12 H new ATOM 0 HE22 GLN A 33 3.327 51.249 -13.868 1.00 45.12 H new ATOM 473 N PRO A 34 2.494 47.328 -9.222 1.00 1.41 N ATOM 474 CA PRO A 34 1.738 47.671 -8.014 1.00 2.15 C ATOM 475 C PRO A 34 2.045 46.732 -6.852 1.00 2.00 C ATOM 476 O PRO A 34 1.590 46.949 -5.729 1.00 71.44 O ATOM 477 CB PRO A 34 0.280 47.520 -8.453 1.00 33.55 C ATOM 478 CG PRO A 34 0.323 46.546 -9.580 1.00 15.24 C ATOM 479 CD PRO A 34 1.630 46.784 -10.283 1.00 40.50 C ATOM 0 HA PRO A 34 1.986 48.667 -7.647 1.00 2.15 H new ATOM 0 HB2 PRO A 34 -0.343 47.154 -7.637 1.00 33.55 H new ATOM 0 HB3 PRO A 34 -0.139 48.475 -8.771 1.00 33.55 H new ATOM 0 HG2 PRO A 34 0.258 45.522 -9.213 1.00 15.24 H new ATOM 0 HG3 PRO A 34 -0.518 46.696 -10.258 1.00 15.24 H new ATOM 0 HD2 PRO A 34 2.036 45.862 -10.699 1.00 40.50 H new ATOM 0 HD3 PRO A 34 1.520 47.485 -11.110 1.00 40.50 H new ATOM 487 N ALA A 35 2.820 45.689 -7.129 1.00 64.25 N ATOM 488 CA ALA A 35 3.190 44.718 -6.107 1.00 1.33 C ATOM 489 C ALA A 35 3.628 45.414 -4.823 1.00 5.14 C ATOM 490 O ALA A 35 4.717 45.982 -4.736 1.00 44.14 O ATOM 491 CB ALA A 35 4.295 43.807 -6.619 1.00 62.41 C ATOM 0 H ALA A 35 3.204 45.495 -8.054 1.00 64.25 H new ATOM 0 HA ALA A 35 2.312 44.113 -5.881 1.00 1.33 H new ATOM 0 HB1 ALA A 35 4.561 43.087 -5.845 1.00 62.41 H new ATOM 0 HB2 ALA A 35 3.947 43.276 -7.505 1.00 62.41 H new ATOM 0 HB3 ALA A 35 5.170 44.405 -6.875 1.00 62.41 H new ATOM 497 N PRO A 36 2.762 45.371 -3.800 1.00 31.13 N ATOM 498 CA PRO A 36 3.038 45.993 -2.501 1.00 63.33 C ATOM 499 C PRO A 36 4.134 45.264 -1.731 1.00 45.13 C ATOM 500 O PRO A 36 4.548 44.161 -2.087 1.00 61.45 O ATOM 501 CB PRO A 36 1.702 45.881 -1.763 1.00 50.41 C ATOM 502 CG PRO A 36 1.019 44.715 -2.390 1.00 12.31 C ATOM 503 CD PRO A 36 1.446 44.711 -3.832 1.00 13.32 C ATOM 0 HA PRO A 36 3.397 47.017 -2.607 1.00 63.33 H new ATOM 0 HB2 PRO A 36 1.852 45.724 -0.695 1.00 50.41 H new ATOM 0 HB3 PRO A 36 1.112 46.791 -1.872 1.00 50.41 H new ATOM 0 HG2 PRO A 36 1.302 43.785 -1.897 1.00 12.31 H new ATOM 0 HG3 PRO A 36 -0.064 44.804 -2.304 1.00 12.31 H new ATOM 0 HD2 PRO A 36 1.514 43.698 -4.228 1.00 13.32 H new ATOM 0 HD3 PRO A 36 0.740 45.253 -4.462 1.00 13.32 H new ATOM 511 N PRO A 37 4.617 45.893 -0.650 1.00 3.53 N ATOM 512 CA PRO A 37 5.671 45.322 0.194 1.00 44.32 C ATOM 513 C PRO A 37 5.186 44.116 0.991 1.00 43.30 C ATOM 514 O PRO A 37 5.987 43.307 1.457 1.00 21.22 O ATOM 515 CB PRO A 37 6.036 46.474 1.134 1.00 31.54 C ATOM 516 CG PRO A 37 4.811 47.320 1.190 1.00 60.32 C ATOM 517 CD PRO A 37 4.171 47.211 -0.166 1.00 72.14 C ATOM 0 HA PRO A 37 6.510 44.953 -0.396 1.00 44.32 H new ATOM 0 HB2 PRO A 37 6.309 46.106 2.123 1.00 31.54 H new ATOM 0 HB3 PRO A 37 6.889 47.038 0.757 1.00 31.54 H new ATOM 0 HG2 PRO A 37 4.133 46.974 1.970 1.00 60.32 H new ATOM 0 HG3 PRO A 37 5.062 48.355 1.421 1.00 60.32 H new ATOM 0 HD2 PRO A 37 3.084 47.269 -0.103 1.00 72.14 H new ATOM 0 HD3 PRO A 37 4.495 48.013 -0.829 1.00 72.14 H new ATOM 525 N GLU A 38 3.870 44.003 1.143 1.00 44.42 N ATOM 526 CA GLU A 38 3.280 42.895 1.884 1.00 10.44 C ATOM 527 C GLU A 38 3.077 41.683 0.981 1.00 74.24 C ATOM 528 O GLU A 38 2.910 40.561 1.459 1.00 40.24 O ATOM 529 CB GLU A 38 1.943 43.318 2.498 1.00 64.12 C ATOM 530 CG GLU A 38 2.078 44.374 3.582 1.00 30.21 C ATOM 531 CD GLU A 38 1.043 44.219 4.679 1.00 33.32 C ATOM 532 OE1 GLU A 38 -0.096 43.811 4.366 1.00 3.24 O ATOM 533 OE2 GLU A 38 1.370 44.505 5.850 1.00 63.24 O ATOM 0 H GLU A 38 3.193 44.665 0.763 1.00 44.42 H new ATOM 0 HA GLU A 38 3.968 42.619 2.683 1.00 10.44 H new ATOM 0 HB2 GLU A 38 1.295 43.700 1.709 1.00 64.12 H new ATOM 0 HB3 GLU A 38 1.451 42.440 2.917 1.00 64.12 H new ATOM 0 HG2 GLU A 38 3.075 44.317 4.018 1.00 30.21 H new ATOM 0 HG3 GLU A 38 1.982 45.363 3.134 1.00 30.21 H new ATOM 540 N GLU A 39 3.091 41.918 -0.328 1.00 2.03 N ATOM 541 CA GLU A 39 2.907 40.845 -1.298 1.00 51.41 C ATOM 542 C GLU A 39 4.250 40.251 -1.713 1.00 74.24 C ATOM 543 O GLU A 39 4.305 39.299 -2.492 1.00 70.31 O ATOM 544 CB GLU A 39 2.164 41.365 -2.531 1.00 33.33 C ATOM 545 CG GLU A 39 0.652 41.342 -2.384 1.00 75.10 C ATOM 546 CD GLU A 39 0.070 39.952 -2.553 1.00 20.43 C ATOM 547 OE1 GLU A 39 0.855 38.980 -2.580 1.00 13.34 O ATOM 548 OE2 GLU A 39 -1.169 39.835 -2.658 1.00 23.31 O ATOM 0 H GLU A 39 3.228 42.841 -0.740 1.00 2.03 H new ATOM 0 HA GLU A 39 2.313 40.062 -0.828 1.00 51.41 H new ATOM 0 HB2 GLU A 39 2.485 42.386 -2.735 1.00 33.33 H new ATOM 0 HB3 GLU A 39 2.446 40.764 -3.395 1.00 33.33 H new ATOM 0 HG2 GLU A 39 0.380 41.728 -1.402 1.00 75.10 H new ATOM 0 HG3 GLU A 39 0.209 42.010 -3.123 1.00 75.10 H new ATOM 555 N TYR A 40 5.329 40.819 -1.189 1.00 2.55 N ATOM 556 CA TYR A 40 6.672 40.349 -1.506 1.00 61.42 C ATOM 557 C TYR A 40 6.989 39.059 -0.756 1.00 31.34 C ATOM 558 O TYR A 40 7.614 38.148 -1.299 1.00 32.21 O ATOM 559 CB TYR A 40 7.706 41.421 -1.160 1.00 25.24 C ATOM 560 CG TYR A 40 7.934 42.424 -2.268 1.00 73.31 C ATOM 561 CD1 TYR A 40 6.890 42.827 -3.092 1.00 62.31 C ATOM 562 CD2 TYR A 40 9.192 42.969 -2.491 1.00 2.24 C ATOM 563 CE1 TYR A 40 7.094 43.742 -4.106 1.00 53.14 C ATOM 564 CE2 TYR A 40 9.405 43.886 -3.502 1.00 14.44 C ATOM 565 CZ TYR A 40 8.352 44.269 -4.307 1.00 44.21 C ATOM 566 OH TYR A 40 8.559 45.183 -5.315 1.00 72.55 O ATOM 0 H TYR A 40 5.300 41.607 -0.542 1.00 2.55 H new ATOM 0 HA TYR A 40 6.715 40.146 -2.576 1.00 61.42 H new ATOM 0 HB2 TYR A 40 7.382 41.950 -0.264 1.00 25.24 H new ATOM 0 HB3 TYR A 40 8.652 40.937 -0.920 1.00 25.24 H new ATOM 0 HD1 TYR A 40 5.903 42.418 -2.937 1.00 62.31 H new ATOM 0 HD2 TYR A 40 10.018 42.671 -1.863 1.00 2.24 H new ATOM 0 HE1 TYR A 40 6.272 44.043 -4.738 1.00 53.14 H new ATOM 0 HE2 TYR A 40 10.390 44.300 -3.661 1.00 14.44 H new ATOM 0 HH TYR A 40 9.419 45.632 -5.178 1.00 72.55 H new ATOM 576 N VAL A 41 6.552 38.989 0.498 1.00 62.20 N ATOM 577 CA VAL A 41 6.787 37.811 1.325 1.00 74.24 C ATOM 578 C VAL A 41 6.361 36.538 0.601 1.00 12.22 C ATOM 579 O VAL A 41 7.148 35.611 0.409 1.00 75.03 O ATOM 580 CB VAL A 41 6.030 37.905 2.663 1.00 24.11 C ATOM 581 CG1 VAL A 41 5.644 36.519 3.157 1.00 42.00 C ATOM 582 CG2 VAL A 41 6.872 38.634 3.700 1.00 52.13 C ATOM 0 H VAL A 41 6.033 39.734 0.963 1.00 62.20 H new ATOM 0 HA VAL A 41 7.858 37.772 1.524 1.00 74.24 H new ATOM 0 HB VAL A 41 5.115 38.475 2.504 1.00 24.11 H new ATOM 0 HG11 VAL A 41 5.110 36.606 4.103 1.00 42.00 H new ATOM 0 HG12 VAL A 41 5.001 36.036 2.421 1.00 42.00 H new ATOM 0 HG13 VAL A 41 6.544 35.921 3.301 1.00 42.00 H new ATOM 0 HG21 VAL A 41 6.322 38.692 4.640 1.00 52.13 H new ATOM 0 HG22 VAL A 41 7.804 38.092 3.858 1.00 52.13 H new ATOM 0 HG23 VAL A 41 7.093 39.641 3.346 1.00 52.13 H new ATOM 592 N PRO A 42 5.085 36.490 0.189 1.00 2.53 N ATOM 593 CA PRO A 42 4.525 35.337 -0.521 1.00 23.31 C ATOM 594 C PRO A 42 5.089 35.195 -1.931 1.00 35.32 C ATOM 595 O PRO A 42 5.353 34.086 -2.395 1.00 31.03 O ATOM 596 CB PRO A 42 3.027 35.645 -0.572 1.00 72.22 C ATOM 597 CG PRO A 42 2.942 37.130 -0.485 1.00 21.43 C ATOM 598 CD PRO A 42 4.091 37.559 0.385 1.00 43.44 C ATOM 0 HA PRO A 42 4.763 34.397 -0.024 1.00 23.31 H new ATOM 0 HB2 PRO A 42 2.578 35.276 -1.494 1.00 72.22 H new ATOM 0 HB3 PRO A 42 2.497 35.169 0.253 1.00 72.22 H new ATOM 0 HG2 PRO A 42 3.010 37.584 -1.474 1.00 21.43 H new ATOM 0 HG3 PRO A 42 1.990 37.442 -0.056 1.00 21.43 H new ATOM 0 HD2 PRO A 42 4.482 38.531 0.084 1.00 43.44 H new ATOM 0 HD3 PRO A 42 3.794 37.645 1.430 1.00 43.44 H new ATOM 606 N MET A 43 5.270 36.324 -2.607 1.00 40.31 N ATOM 607 CA MET A 43 5.804 36.325 -3.964 1.00 71.32 C ATOM 608 C MET A 43 7.115 35.548 -4.033 1.00 31.12 C ATOM 609 O MET A 43 7.243 34.594 -4.800 1.00 61.40 O ATOM 610 CB MET A 43 6.022 37.759 -4.449 1.00 54.21 C ATOM 611 CG MET A 43 4.896 38.281 -5.327 1.00 50.32 C ATOM 612 SD MET A 43 5.496 39.033 -6.852 1.00 63.54 S ATOM 613 CE MET A 43 5.484 40.766 -6.403 1.00 44.43 C ATOM 0 H MET A 43 5.055 37.250 -2.238 1.00 40.31 H new ATOM 0 HA MET A 43 5.078 35.836 -4.613 1.00 71.32 H new ATOM 0 HB2 MET A 43 6.131 38.414 -3.584 1.00 54.21 H new ATOM 0 HB3 MET A 43 6.958 37.807 -5.005 1.00 54.21 H new ATOM 0 HG2 MET A 43 4.221 37.461 -5.572 1.00 50.32 H new ATOM 0 HG3 MET A 43 4.315 39.015 -4.768 1.00 50.32 H new ATOM 0 HE1 MET A 43 5.551 41.376 -7.304 1.00 44.43 H new ATOM 0 HE2 MET A 43 4.559 40.999 -5.875 1.00 44.43 H new ATOM 0 HE3 MET A 43 6.335 40.980 -5.756 1.00 44.43 H new ATOM 623 N VAL A 44 8.087 35.963 -3.226 1.00 74.03 N ATOM 624 CA VAL A 44 9.388 35.305 -3.195 1.00 54.53 C ATOM 625 C VAL A 44 9.263 33.863 -2.716 1.00 42.52 C ATOM 626 O VAL A 44 10.017 32.988 -3.142 1.00 43.54 O ATOM 627 CB VAL A 44 10.374 36.056 -2.280 1.00 71.44 C ATOM 628 CG1 VAL A 44 9.941 35.948 -0.826 1.00 51.22 C ATOM 629 CG2 VAL A 44 11.785 35.519 -2.466 1.00 42.20 C ATOM 0 H VAL A 44 7.998 36.752 -2.585 1.00 74.03 H new ATOM 0 HA VAL A 44 9.772 35.313 -4.215 1.00 54.53 H new ATOM 0 HB VAL A 44 10.371 37.110 -2.557 1.00 71.44 H new ATOM 0 HG11 VAL A 44 10.649 36.484 -0.195 1.00 51.22 H new ATOM 0 HG12 VAL A 44 8.949 36.383 -0.709 1.00 51.22 H new ATOM 0 HG13 VAL A 44 9.914 34.899 -0.531 1.00 51.22 H new ATOM 0 HG21 VAL A 44 12.469 36.060 -1.813 1.00 42.20 H new ATOM 0 HG22 VAL A 44 11.807 34.458 -2.216 1.00 42.20 H new ATOM 0 HG23 VAL A 44 12.092 35.653 -3.503 1.00 42.20 H new ATOM 639 N LYS A 45 8.306 33.622 -1.827 1.00 71.21 N ATOM 640 CA LYS A 45 8.080 32.285 -1.290 1.00 13.32 C ATOM 641 C LYS A 45 7.749 31.299 -2.406 1.00 1.15 C ATOM 642 O LYS A 45 8.245 30.173 -2.417 1.00 71.01 O ATOM 643 CB LYS A 45 6.944 32.311 -0.264 1.00 61.13 C ATOM 644 CG LYS A 45 7.420 32.499 1.166 1.00 41.23 C ATOM 645 CD LYS A 45 8.243 31.314 1.640 1.00 25.51 C ATOM 646 CE LYS A 45 9.533 31.763 2.311 1.00 74.33 C ATOM 647 NZ LYS A 45 9.288 32.305 3.676 1.00 51.22 N ATOM 0 H LYS A 45 7.674 34.335 -1.463 1.00 71.21 H new ATOM 0 HA LYS A 45 8.997 31.957 -0.800 1.00 13.32 H new ATOM 0 HB2 LYS A 45 6.255 33.117 -0.518 1.00 61.13 H new ATOM 0 HB3 LYS A 45 6.383 31.379 -0.332 1.00 61.13 H new ATOM 0 HG2 LYS A 45 8.017 33.408 1.235 1.00 41.23 H new ATOM 0 HG3 LYS A 45 6.560 32.632 1.822 1.00 41.23 H new ATOM 0 HD2 LYS A 45 7.656 30.719 2.339 1.00 25.51 H new ATOM 0 HD3 LYS A 45 8.478 30.670 0.792 1.00 25.51 H new ATOM 0 HE2 LYS A 45 10.222 30.921 2.373 1.00 74.33 H new ATOM 0 HE3 LYS A 45 10.015 32.525 1.699 1.00 74.33 H new ATOM 0 HZ1 LYS A 45 9.960 31.877 4.345 1.00 51.22 H new ATOM 0 HZ2 LYS A 45 9.417 33.337 3.668 1.00 51.22 H new ATOM 0 HZ3 LYS A 45 8.316 32.080 3.970 1.00 51.22 H new ATOM 661 N GLU A 46 6.910 31.731 -3.342 1.00 0.12 N ATOM 662 CA GLU A 46 6.515 30.885 -4.462 1.00 11.03 C ATOM 663 C GLU A 46 7.719 30.539 -5.333 1.00 73.23 C ATOM 664 O GLU A 46 7.943 29.376 -5.668 1.00 73.54 O ATOM 665 CB GLU A 46 5.445 31.583 -5.304 1.00 62.14 C ATOM 666 CG GLU A 46 4.026 31.299 -4.842 1.00 53.45 C ATOM 667 CD GLU A 46 3.712 29.817 -4.797 1.00 60.44 C ATOM 668 OE1 GLU A 46 4.437 29.036 -5.449 1.00 53.12 O ATOM 669 OE2 GLU A 46 2.741 29.437 -4.109 1.00 63.13 O ATOM 0 H GLU A 46 6.491 32.661 -3.347 1.00 0.12 H new ATOM 0 HA GLU A 46 6.103 29.960 -4.059 1.00 11.03 H new ATOM 0 HB2 GLU A 46 5.618 32.659 -5.277 1.00 62.14 H new ATOM 0 HB3 GLU A 46 5.550 31.269 -6.342 1.00 62.14 H new ATOM 0 HG2 GLU A 46 3.878 31.728 -3.851 1.00 53.45 H new ATOM 0 HG3 GLU A 46 3.324 31.795 -5.512 1.00 53.45 H new ATOM 676 N VAL A 47 8.491 31.558 -5.698 1.00 32.34 N ATOM 677 CA VAL A 47 9.672 31.363 -6.530 1.00 21.55 C ATOM 678 C VAL A 47 10.710 30.502 -5.817 1.00 52.23 C ATOM 679 O VAL A 47 11.269 29.575 -6.401 1.00 60.21 O ATOM 680 CB VAL A 47 10.315 32.708 -6.916 1.00 72.23 C ATOM 681 CG1 VAL A 47 11.391 32.502 -7.972 1.00 34.03 C ATOM 682 CG2 VAL A 47 9.255 33.683 -7.406 1.00 71.35 C ATOM 0 H VAL A 47 8.319 32.527 -5.430 1.00 32.34 H new ATOM 0 HA VAL A 47 9.341 30.854 -7.435 1.00 21.55 H new ATOM 0 HB VAL A 47 10.786 33.134 -6.030 1.00 72.23 H new ATOM 0 HG11 VAL A 47 11.834 33.463 -8.232 1.00 34.03 H new ATOM 0 HG12 VAL A 47 12.164 31.841 -7.580 1.00 34.03 H new ATOM 0 HG13 VAL A 47 10.947 32.054 -8.861 1.00 34.03 H new ATOM 0 HG21 VAL A 47 9.727 34.628 -7.675 1.00 71.35 H new ATOM 0 HG22 VAL A 47 8.754 33.266 -8.280 1.00 71.35 H new ATOM 0 HG23 VAL A 47 8.524 33.854 -6.615 1.00 71.35 H new ATOM 692 N GLY A 48 10.962 30.816 -4.550 1.00 42.32 N ATOM 693 CA GLY A 48 11.932 30.062 -3.778 1.00 43.21 C ATOM 694 C GLY A 48 11.622 28.579 -3.748 1.00 22.34 C ATOM 695 O GLY A 48 12.531 27.747 -3.736 1.00 74.13 O ATOM 0 H GLY A 48 10.512 31.579 -4.045 1.00 42.32 H new ATOM 0 HA2 GLY A 48 12.925 30.214 -4.200 1.00 43.21 H new ATOM 0 HA3 GLY A 48 11.957 30.446 -2.758 1.00 43.21 H new ATOM 699 N LEU A 49 10.336 28.245 -3.732 1.00 45.14 N ATOM 700 CA LEU A 49 9.908 26.851 -3.701 1.00 61.12 C ATOM 701 C LEU A 49 10.132 26.182 -5.054 1.00 0.03 C ATOM 702 O LEU A 49 10.510 25.013 -5.124 1.00 41.11 O ATOM 703 CB LEU A 49 8.432 26.759 -3.312 1.00 54.12 C ATOM 704 CG LEU A 49 8.109 25.880 -2.103 1.00 64.03 C ATOM 705 CD1 LEU A 49 7.081 26.556 -1.210 1.00 50.53 C ATOM 706 CD2 LEU A 49 7.611 24.515 -2.554 1.00 61.33 C ATOM 0 H LEU A 49 9.572 28.921 -3.740 1.00 45.14 H new ATOM 0 HA LEU A 49 10.507 26.329 -2.955 1.00 61.12 H new ATOM 0 HB2 LEU A 49 8.067 27.766 -3.111 1.00 54.12 H new ATOM 0 HB3 LEU A 49 7.874 26.382 -4.169 1.00 54.12 H new ATOM 0 HG LEU A 49 9.023 25.739 -1.526 1.00 64.03 H new ATOM 0 HD11 LEU A 49 6.864 25.915 -0.355 1.00 50.53 H new ATOM 0 HD12 LEU A 49 7.475 27.509 -0.858 1.00 50.53 H new ATOM 0 HD13 LEU A 49 6.165 26.729 -1.775 1.00 50.53 H new ATOM 0 HD21 LEU A 49 7.386 23.903 -1.681 1.00 61.33 H new ATOM 0 HD22 LEU A 49 6.709 24.637 -3.154 1.00 61.33 H new ATOM 0 HD23 LEU A 49 8.381 24.026 -3.151 1.00 61.33 H new ATOM 718 N ALA A 50 9.898 26.933 -6.125 1.00 60.42 N ATOM 719 CA ALA A 50 10.078 26.414 -7.475 1.00 62.14 C ATOM 720 C ALA A 50 11.532 26.030 -7.726 1.00 65.43 C ATOM 721 O ALA A 50 11.828 24.901 -8.121 1.00 31.22 O ATOM 722 CB ALA A 50 9.617 27.439 -8.501 1.00 13.04 C ATOM 0 H ALA A 50 9.583 27.902 -6.084 1.00 60.42 H new ATOM 0 HA ALA A 50 9.469 25.516 -7.576 1.00 62.14 H new ATOM 0 HB1 ALA A 50 9.757 27.038 -9.505 1.00 13.04 H new ATOM 0 HB2 ALA A 50 8.562 27.662 -8.344 1.00 13.04 H new ATOM 0 HB3 ALA A 50 10.201 28.353 -8.391 1.00 13.04 H new ATOM 728 N LEU A 51 12.437 26.975 -7.496 1.00 62.41 N ATOM 729 CA LEU A 51 13.862 26.735 -7.698 1.00 0.21 C ATOM 730 C LEU A 51 14.357 25.605 -6.801 1.00 13.12 C ATOM 731 O LEU A 51 15.022 24.678 -7.263 1.00 41.22 O ATOM 732 CB LEU A 51 14.658 28.011 -7.417 1.00 25.41 C ATOM 733 CG LEU A 51 14.497 29.141 -8.434 1.00 74.20 C ATOM 734 CD1 LEU A 51 13.668 30.273 -7.847 1.00 32.41 C ATOM 735 CD2 LEU A 51 15.857 29.652 -8.884 1.00 64.25 C ATOM 0 H LEU A 51 12.210 27.914 -7.170 1.00 62.41 H new ATOM 0 HA LEU A 51 14.012 26.441 -8.737 1.00 0.21 H new ATOM 0 HB2 LEU A 51 14.367 28.388 -6.436 1.00 25.41 H new ATOM 0 HB3 LEU A 51 15.715 27.750 -7.358 1.00 25.41 H new ATOM 0 HG LEU A 51 13.973 28.748 -9.305 1.00 74.20 H new ATOM 0 HD11 LEU A 51 13.564 31.068 -8.585 1.00 32.41 H new ATOM 0 HD12 LEU A 51 12.681 29.898 -7.576 1.00 32.41 H new ATOM 0 HD13 LEU A 51 14.164 30.665 -6.959 1.00 32.41 H new ATOM 0 HD21 LEU A 51 15.722 30.456 -9.608 1.00 64.25 H new ATOM 0 HD22 LEU A 51 16.408 30.028 -8.022 1.00 64.25 H new ATOM 0 HD23 LEU A 51 16.417 28.839 -9.345 1.00 64.25 H new ATOM 747 N ARG A 52 14.025 25.688 -5.516 1.00 64.15 N ATOM 748 CA ARG A 52 14.435 24.672 -4.555 1.00 20.43 C ATOM 749 C ARG A 52 13.897 23.300 -4.951 1.00 22.20 C ATOM 750 O ARG A 52 14.642 22.320 -5.006 1.00 11.41 O ATOM 751 CB ARG A 52 13.944 25.038 -3.153 1.00 1.30 C ATOM 752 CG ARG A 52 14.572 24.202 -2.050 1.00 2.43 C ATOM 753 CD ARG A 52 13.527 23.385 -1.306 1.00 41.33 C ATOM 754 NE ARG A 52 13.310 22.080 -1.925 1.00 45.55 N ATOM 755 CZ ARG A 52 12.279 21.294 -1.640 1.00 30.31 C ATOM 756 NH1 ARG A 52 11.374 21.678 -0.750 1.00 63.10 N ATOM 757 NH2 ARG A 52 12.151 20.120 -2.246 1.00 14.05 N ATOM 0 H ARG A 52 13.474 26.448 -5.117 1.00 64.15 H new ATOM 0 HA ARG A 52 15.524 24.629 -4.552 1.00 20.43 H new ATOM 0 HB2 ARG A 52 14.157 26.090 -2.966 1.00 1.30 H new ATOM 0 HB3 ARG A 52 12.861 24.921 -3.114 1.00 1.30 H new ATOM 0 HG2 ARG A 52 15.320 23.535 -2.479 1.00 2.43 H new ATOM 0 HG3 ARG A 52 15.092 24.855 -1.349 1.00 2.43 H new ATOM 0 HD2 ARG A 52 13.843 23.248 -0.272 1.00 41.33 H new ATOM 0 HD3 ARG A 52 12.587 23.935 -1.281 1.00 41.33 H new ATOM 0 HE ARG A 52 13.988 21.755 -2.614 1.00 45.55 H new ATOM 0 HH11 ARG A 52 11.469 22.580 -0.282 1.00 63.10 H new ATOM 0 HH12 ARG A 52 10.583 21.072 -0.533 1.00 63.10 H new ATOM 0 HH21 ARG A 52 12.845 19.821 -2.931 1.00 14.05 H new ATOM 0 HH22 ARG A 52 11.359 19.516 -2.027 1.00 14.05 H new ATOM 771 N THR A 53 12.598 23.236 -5.226 1.00 61.12 N ATOM 772 CA THR A 53 11.960 21.985 -5.616 1.00 31.14 C ATOM 773 C THR A 53 12.555 21.444 -6.911 1.00 33.03 C ATOM 774 O THR A 53 12.845 20.252 -7.023 1.00 34.05 O ATOM 775 CB THR A 53 10.440 22.162 -5.796 1.00 64.24 C ATOM 776 OG1 THR A 53 9.844 22.570 -4.560 1.00 61.21 O ATOM 777 CG2 THR A 53 9.798 20.868 -6.273 1.00 32.24 C ATOM 0 H THR A 53 11.967 24.036 -5.186 1.00 61.12 H new ATOM 0 HA THR A 53 12.142 21.273 -4.811 1.00 31.14 H new ATOM 0 HB THR A 53 10.273 22.931 -6.550 1.00 64.24 H new ATOM 0 HG1 THR A 53 10.175 23.459 -4.315 1.00 61.21 H new ATOM 0 HG21 THR A 53 8.725 21.017 -6.393 1.00 32.24 H new ATOM 0 HG22 THR A 53 10.233 20.577 -7.229 1.00 32.24 H new ATOM 0 HG23 THR A 53 9.975 20.082 -5.539 1.00 32.24 H new ATOM 785 N LEU A 54 12.735 22.326 -7.887 1.00 43.40 N ATOM 786 CA LEU A 54 13.297 21.937 -9.176 1.00 3.22 C ATOM 787 C LEU A 54 14.629 21.215 -8.994 1.00 14.43 C ATOM 788 O LEU A 54 14.875 20.179 -9.613 1.00 1.34 O ATOM 789 CB LEU A 54 13.489 23.168 -10.064 1.00 12.25 C ATOM 790 CG LEU A 54 12.419 23.399 -11.131 1.00 73.11 C ATOM 791 CD1 LEU A 54 12.660 22.498 -12.332 1.00 71.31 C ATOM 792 CD2 LEU A 54 11.030 23.162 -10.555 1.00 4.14 C ATOM 0 H LEU A 54 12.500 23.316 -7.811 1.00 43.40 H new ATOM 0 HA LEU A 54 12.597 21.254 -9.658 1.00 3.22 H new ATOM 0 HB2 LEU A 54 13.532 24.050 -9.424 1.00 12.25 H new ATOM 0 HB3 LEU A 54 14.456 23.086 -10.560 1.00 12.25 H new ATOM 0 HG LEU A 54 12.481 24.436 -11.461 1.00 73.11 H new ATOM 0 HD11 LEU A 54 11.889 22.676 -13.081 1.00 71.31 H new ATOM 0 HD12 LEU A 54 13.639 22.716 -12.760 1.00 71.31 H new ATOM 0 HD13 LEU A 54 12.626 21.455 -12.017 1.00 71.31 H new ATOM 0 HD21 LEU A 54 10.281 23.331 -11.329 1.00 4.14 H new ATOM 0 HD22 LEU A 54 10.955 22.136 -10.196 1.00 4.14 H new ATOM 0 HD23 LEU A 54 10.857 23.849 -9.727 1.00 4.14 H new ATOM 804 N LEU A 55 15.483 21.768 -8.140 1.00 30.35 N ATOM 805 CA LEU A 55 16.789 21.175 -7.873 1.00 43.44 C ATOM 806 C LEU A 55 16.653 19.704 -7.494 1.00 1.44 C ATOM 807 O LEU A 55 17.395 18.855 -7.985 1.00 64.03 O ATOM 808 CB LEU A 55 17.499 21.939 -6.754 1.00 40.31 C ATOM 809 CG LEU A 55 17.908 23.377 -7.077 1.00 74.10 C ATOM 810 CD1 LEU A 55 17.863 24.239 -5.825 1.00 22.44 C ATOM 811 CD2 LEU A 55 19.296 23.410 -7.700 1.00 75.22 C ATOM 0 H LEU A 55 15.295 22.626 -7.621 1.00 30.35 H new ATOM 0 HA LEU A 55 17.384 21.242 -8.784 1.00 43.44 H new ATOM 0 HB2 LEU A 55 16.846 21.956 -5.882 1.00 40.31 H new ATOM 0 HB3 LEU A 55 18.393 21.383 -6.472 1.00 40.31 H new ATOM 0 HG LEU A 55 17.198 23.783 -7.798 1.00 74.10 H new ATOM 0 HD11 LEU A 55 18.157 25.259 -6.074 1.00 22.44 H new ATOM 0 HD12 LEU A 55 16.850 24.242 -5.421 1.00 22.44 H new ATOM 0 HD13 LEU A 55 18.549 23.835 -5.080 1.00 22.44 H new ATOM 0 HD21 LEU A 55 19.570 24.441 -7.923 1.00 75.22 H new ATOM 0 HD22 LEU A 55 20.018 22.985 -7.003 1.00 75.22 H new ATOM 0 HD23 LEU A 55 19.295 22.827 -8.621 1.00 75.22 H new ATOM 823 N ALA A 56 15.698 19.411 -6.617 1.00 61.22 N ATOM 824 CA ALA A 56 15.462 18.042 -6.175 1.00 14.20 C ATOM 825 C ALA A 56 14.800 17.217 -7.273 1.00 55.12 C ATOM 826 O ALA A 56 15.253 16.120 -7.600 1.00 23.35 O ATOM 827 CB ALA A 56 14.605 18.034 -4.917 1.00 43.54 C ATOM 0 H ALA A 56 15.076 20.103 -6.199 1.00 61.22 H new ATOM 0 HA ALA A 56 16.427 17.588 -5.948 1.00 14.20 H new ATOM 0 HB1 ALA A 56 14.437 17.005 -4.598 1.00 43.54 H new ATOM 0 HB2 ALA A 56 15.117 18.580 -4.125 1.00 43.54 H new ATOM 0 HB3 ALA A 56 13.647 18.510 -5.126 1.00 43.54 H new ATOM 833 N THR A 57 13.723 17.751 -7.841 1.00 14.41 N ATOM 834 CA THR A 57 12.997 17.064 -8.901 1.00 73.32 C ATOM 835 C THR A 57 13.936 16.637 -10.023 1.00 40.45 C ATOM 836 O THR A 57 13.911 15.488 -10.465 1.00 3.43 O ATOM 837 CB THR A 57 11.884 17.953 -9.488 1.00 60.42 C ATOM 838 OG1 THR A 57 12.461 19.041 -10.219 1.00 34.31 O ATOM 839 CG2 THR A 57 10.986 18.494 -8.386 1.00 43.50 C ATOM 0 H THR A 57 13.334 18.658 -7.584 1.00 14.41 H new ATOM 0 HA THR A 57 12.546 16.179 -8.452 1.00 73.32 H new ATOM 0 HB THR A 57 11.279 17.345 -10.161 1.00 60.42 H new ATOM 0 HG1 THR A 57 13.267 19.355 -9.757 1.00 34.31 H new ATOM 0 HG21 THR A 57 10.208 19.119 -8.825 1.00 43.50 H new ATOM 0 HG22 THR A 57 10.526 17.663 -7.851 1.00 43.50 H new ATOM 0 HG23 THR A 57 11.580 19.088 -7.692 1.00 43.50 H new ATOM 847 N VAL A 58 14.765 17.570 -10.482 1.00 11.23 N ATOM 848 CA VAL A 58 15.714 17.290 -11.552 1.00 44.21 C ATOM 849 C VAL A 58 16.652 16.150 -11.171 1.00 34.21 C ATOM 850 O VAL A 58 16.908 15.249 -11.971 1.00 12.44 O ATOM 851 CB VAL A 58 16.553 18.535 -11.899 1.00 33.04 C ATOM 852 CG1 VAL A 58 17.586 18.203 -12.964 1.00 4.20 C ATOM 853 CG2 VAL A 58 15.652 19.673 -12.354 1.00 42.30 C ATOM 0 H VAL A 58 14.798 18.526 -10.129 1.00 11.23 H new ATOM 0 HA VAL A 58 15.129 17.000 -12.425 1.00 44.21 H new ATOM 0 HB VAL A 58 17.083 18.857 -11.002 1.00 33.04 H new ATOM 0 HG11 VAL A 58 18.169 19.094 -13.196 1.00 4.20 H new ATOM 0 HG12 VAL A 58 18.250 17.421 -12.596 1.00 4.20 H new ATOM 0 HG13 VAL A 58 17.081 17.855 -13.865 1.00 4.20 H new ATOM 0 HG21 VAL A 58 16.260 20.545 -12.595 1.00 42.30 H new ATOM 0 HG22 VAL A 58 15.094 19.364 -13.238 1.00 42.30 H new ATOM 0 HG23 VAL A 58 14.955 19.927 -11.555 1.00 42.30 H new ATOM 863 N ASP A 59 17.160 16.194 -9.944 1.00 41.35 N ATOM 864 CA ASP A 59 18.068 15.164 -9.455 1.00 64.45 C ATOM 865 C ASP A 59 17.453 13.777 -9.615 1.00 63.23 C ATOM 866 O ASP A 59 18.162 12.796 -9.838 1.00 33.42 O ATOM 867 CB ASP A 59 18.416 15.415 -7.987 1.00 61.34 C ATOM 868 CG ASP A 59 19.220 14.281 -7.381 1.00 14.44 C ATOM 869 OD1 ASP A 59 20.120 13.758 -8.069 1.00 44.41 O ATOM 870 OD2 ASP A 59 18.947 13.917 -6.217 1.00 61.24 O ATOM 0 H ASP A 59 16.958 16.932 -9.270 1.00 41.35 H new ATOM 0 HA ASP A 59 18.981 15.208 -10.049 1.00 64.45 H new ATOM 0 HB2 ASP A 59 18.982 16.343 -7.904 1.00 61.34 H new ATOM 0 HB3 ASP A 59 17.497 15.550 -7.417 1.00 61.34 H new ATOM 875 N GLU A 60 16.131 13.704 -9.499 1.00 51.42 N ATOM 876 CA GLU A 60 15.422 12.437 -9.629 1.00 54.11 C ATOM 877 C GLU A 60 15.037 12.175 -11.082 1.00 52.34 C ATOM 878 O GLU A 60 14.735 11.044 -11.462 1.00 32.14 O ATOM 879 CB GLU A 60 14.169 12.436 -8.750 1.00 60.23 C ATOM 880 CG GLU A 60 14.444 12.790 -7.298 1.00 72.34 C ATOM 881 CD GLU A 60 13.557 12.026 -6.334 1.00 24.21 C ATOM 882 OE1 GLU A 60 12.341 11.926 -6.597 1.00 70.13 O ATOM 883 OE2 GLU A 60 14.081 11.528 -5.315 1.00 62.44 O ATOM 0 H GLU A 60 15.530 14.507 -9.315 1.00 51.42 H new ATOM 0 HA GLU A 60 16.090 11.641 -9.299 1.00 54.11 H new ATOM 0 HB2 GLU A 60 13.449 13.145 -9.158 1.00 60.23 H new ATOM 0 HB3 GLU A 60 13.706 11.450 -8.793 1.00 60.23 H new ATOM 0 HG2 GLU A 60 15.489 12.581 -7.068 1.00 72.34 H new ATOM 0 HG3 GLU A 60 14.294 13.860 -7.154 1.00 72.34 H new ATOM 890 N SER A 61 15.050 13.230 -11.891 1.00 11.20 N ATOM 891 CA SER A 61 14.698 13.116 -13.302 1.00 3.44 C ATOM 892 C SER A 61 15.810 12.425 -14.085 1.00 4.34 C ATOM 893 O SER A 61 15.571 11.843 -15.143 1.00 71.51 O ATOM 894 CB SER A 61 14.426 14.500 -13.894 1.00 51.33 C ATOM 895 OG SER A 61 15.545 14.972 -14.624 1.00 24.01 O ATOM 0 H SER A 61 15.300 14.173 -11.594 1.00 11.20 H new ATOM 0 HA SER A 61 13.794 12.512 -13.378 1.00 3.44 H new ATOM 0 HB2 SER A 61 13.555 14.455 -14.547 1.00 51.33 H new ATOM 0 HB3 SER A 61 14.188 15.201 -13.094 1.00 51.33 H new ATOM 0 HG SER A 61 16.272 15.188 -14.004 1.00 24.01 H new ATOM 901 N LEU A 62 17.028 12.494 -13.557 1.00 14.40 N ATOM 902 CA LEU A 62 18.179 11.876 -14.205 1.00 73.32 C ATOM 903 C LEU A 62 17.892 10.417 -14.548 1.00 10.31 C ATOM 904 O LEU A 62 17.916 10.011 -15.710 1.00 33.22 O ATOM 905 CB LEU A 62 19.408 11.966 -13.300 1.00 4.51 C ATOM 906 CG LEU A 62 20.575 12.798 -13.834 1.00 64.43 C ATOM 907 CD1 LEU A 62 21.118 13.715 -12.750 1.00 23.25 C ATOM 908 CD2 LEU A 62 21.675 11.891 -14.369 1.00 11.43 C ATOM 0 H LEU A 62 17.243 12.972 -12.682 1.00 14.40 H new ATOM 0 HA LEU A 62 18.377 12.416 -15.131 1.00 73.32 H new ATOM 0 HB2 LEU A 62 19.099 12.383 -12.342 1.00 4.51 H new ATOM 0 HB3 LEU A 62 19.767 10.955 -13.107 1.00 4.51 H new ATOM 0 HG LEU A 62 20.210 13.417 -14.654 1.00 64.43 H new ATOM 0 HD11 LEU A 62 21.948 14.299 -13.149 1.00 23.25 H new ATOM 0 HD12 LEU A 62 20.329 14.388 -12.414 1.00 23.25 H new ATOM 0 HD13 LEU A 62 21.467 13.117 -11.908 1.00 23.25 H new ATOM 0 HD21 LEU A 62 22.498 12.499 -14.745 1.00 11.43 H new ATOM 0 HD22 LEU A 62 22.037 11.247 -13.568 1.00 11.43 H new ATOM 0 HD23 LEU A 62 21.279 11.277 -15.178 1.00 11.43 H new ATOM 920 N PRO A 63 17.612 9.610 -13.514 1.00 1.12 N ATOM 921 CA PRO A 63 17.312 8.185 -13.681 1.00 24.14 C ATOM 922 C PRO A 63 15.965 7.951 -14.355 1.00 33.05 C ATOM 923 O PRO A 63 15.833 7.084 -15.218 1.00 64.33 O ATOM 924 CB PRO A 63 17.291 7.657 -12.244 1.00 72.51 C ATOM 925 CG PRO A 63 16.951 8.843 -11.409 1.00 71.43 C ATOM 926 CD PRO A 63 17.566 10.027 -12.102 1.00 63.22 C ATOM 0 HA PRO A 63 18.040 7.687 -14.322 1.00 24.14 H new ATOM 0 HB2 PRO A 63 16.553 6.864 -12.124 1.00 72.51 H new ATOM 0 HB3 PRO A 63 18.257 7.238 -11.962 1.00 72.51 H new ATOM 0 HG2 PRO A 63 15.871 8.961 -11.320 1.00 71.43 H new ATOM 0 HG3 PRO A 63 17.345 8.735 -10.398 1.00 71.43 H new ATOM 0 HD2 PRO A 63 16.966 10.927 -11.968 1.00 63.22 H new ATOM 0 HD3 PRO A 63 18.561 10.247 -11.715 1.00 63.22 H new ATOM 934 N VAL A 64 14.965 8.730 -13.954 1.00 51.34 N ATOM 935 CA VAL A 64 13.627 8.609 -14.521 1.00 70.11 C ATOM 936 C VAL A 64 13.671 8.641 -16.045 1.00 35.33 C ATOM 937 O VAL A 64 12.905 7.945 -16.713 1.00 63.34 O ATOM 938 CB VAL A 64 12.702 9.734 -14.021 1.00 55.13 C ATOM 939 CG1 VAL A 64 11.371 9.698 -14.758 1.00 1.22 C ATOM 940 CG2 VAL A 64 12.492 9.623 -12.519 1.00 34.23 C ATOM 0 H VAL A 64 15.056 9.451 -13.239 1.00 51.34 H new ATOM 0 HA VAL A 64 13.229 7.649 -14.192 1.00 70.11 H new ATOM 0 HB VAL A 64 13.179 10.692 -14.228 1.00 55.13 H new ATOM 0 HG11 VAL A 64 10.730 10.500 -14.391 1.00 1.22 H new ATOM 0 HG12 VAL A 64 11.543 9.830 -15.826 1.00 1.22 H new ATOM 0 HG13 VAL A 64 10.885 8.738 -14.585 1.00 1.22 H new ATOM 0 HG21 VAL A 64 11.836 10.426 -12.183 1.00 34.23 H new ATOM 0 HG22 VAL A 64 12.037 8.661 -12.285 1.00 34.23 H new ATOM 0 HG23 VAL A 64 13.453 9.703 -12.010 1.00 34.23 H new ATOM 950 N LEU A 65 14.571 9.452 -16.588 1.00 52.33 N ATOM 951 CA LEU A 65 14.716 9.575 -18.035 1.00 15.13 C ATOM 952 C LEU A 65 15.951 8.826 -18.524 1.00 2.41 C ATOM 953 O LEU A 65 16.878 8.545 -17.764 1.00 31.22 O ATOM 954 CB LEU A 65 14.807 11.049 -18.435 1.00 34.24 C ATOM 955 CG LEU A 65 13.476 11.788 -18.582 1.00 61.31 C ATOM 956 CD1 LEU A 65 12.658 11.192 -19.717 1.00 74.00 C ATOM 957 CD2 LEU A 65 12.694 11.743 -17.278 1.00 11.34 C ATOM 0 H LEU A 65 15.212 10.035 -16.049 1.00 52.33 H new ATOM 0 HA LEU A 65 13.837 9.132 -18.503 1.00 15.13 H new ATOM 0 HB2 LEU A 65 15.409 11.570 -17.691 1.00 34.24 H new ATOM 0 HB3 LEU A 65 15.343 11.115 -19.382 1.00 34.24 H new ATOM 0 HG LEU A 65 13.685 12.831 -18.821 1.00 61.31 H new ATOM 0 HD11 LEU A 65 11.714 11.730 -19.807 1.00 74.00 H new ATOM 0 HD12 LEU A 65 13.215 11.277 -20.650 1.00 74.00 H new ATOM 0 HD13 LEU A 65 12.458 10.141 -19.508 1.00 74.00 H new ATOM 0 HD21 LEU A 65 11.750 12.274 -17.401 1.00 11.34 H new ATOM 0 HD22 LEU A 65 12.495 10.706 -17.009 1.00 11.34 H new ATOM 0 HD23 LEU A 65 13.276 12.217 -16.488 1.00 11.34 H new ATOM 969 N PRO A 66 15.968 8.497 -19.824 1.00 51.41 N ATOM 970 CA PRO A 66 17.085 7.780 -20.445 1.00 23.43 C ATOM 971 C PRO A 66 18.342 8.638 -20.545 1.00 55.11 C ATOM 972 O PRO A 66 18.272 9.819 -20.884 1.00 1.12 O ATOM 973 CB PRO A 66 16.557 7.440 -21.841 1.00 30.35 C ATOM 974 CG PRO A 66 15.523 8.476 -22.117 1.00 32.21 C ATOM 975 CD PRO A 66 14.898 8.801 -20.789 1.00 15.34 C ATOM 0 HA PRO A 66 17.383 6.908 -19.863 1.00 23.43 H new ATOM 0 HB2 PRO A 66 17.354 7.469 -22.584 1.00 30.35 H new ATOM 0 HB3 PRO A 66 16.130 6.437 -21.870 1.00 30.35 H new ATOM 0 HG2 PRO A 66 15.970 9.363 -22.566 1.00 32.21 H new ATOM 0 HG3 PRO A 66 14.777 8.105 -22.819 1.00 32.21 H new ATOM 0 HD2 PRO A 66 14.592 9.846 -20.734 1.00 15.34 H new ATOM 0 HD3 PRO A 66 14.008 8.198 -20.605 1.00 15.34 H new ATOM 983 N ALA A 67 19.489 8.037 -20.249 1.00 30.51 N ATOM 984 CA ALA A 67 20.761 8.746 -20.308 1.00 70.25 C ATOM 985 C ALA A 67 20.948 9.426 -21.661 1.00 34.44 C ATOM 986 O ALA A 67 20.852 8.784 -22.707 1.00 13.40 O ATOM 987 CB ALA A 67 21.912 7.790 -20.033 1.00 31.50 C ATOM 0 H ALA A 67 19.564 7.060 -19.966 1.00 30.51 H new ATOM 0 HA ALA A 67 20.754 9.519 -19.539 1.00 70.25 H new ATOM 0 HB1 ALA A 67 22.856 8.333 -20.080 1.00 31.50 H new ATOM 0 HB2 ALA A 67 21.794 7.354 -19.041 1.00 31.50 H new ATOM 0 HB3 ALA A 67 21.912 6.997 -20.780 1.00 31.50 H new ATOM 993 N SER A 68 21.214 10.728 -21.631 1.00 60.45 N ATOM 994 CA SER A 68 21.410 11.495 -22.856 1.00 14.33 C ATOM 995 C SER A 68 21.669 12.965 -22.539 1.00 52.25 C ATOM 996 O SER A 68 22.446 13.633 -23.223 1.00 71.42 O ATOM 997 CB SER A 68 20.186 11.366 -23.765 1.00 62.41 C ATOM 998 OG SER A 68 19.418 12.557 -23.760 1.00 22.43 O ATOM 0 H SER A 68 21.299 11.273 -20.773 1.00 60.45 H new ATOM 0 HA SER A 68 22.281 11.093 -23.373 1.00 14.33 H new ATOM 0 HB2 SER A 68 20.507 11.141 -24.782 1.00 62.41 H new ATOM 0 HB3 SER A 68 19.569 10.531 -23.433 1.00 62.41 H new ATOM 0 HG SER A 68 19.290 12.868 -24.681 1.00 22.43 H new ATOM 1004 N THR A 69 21.012 13.465 -21.497 1.00 73.32 N ATOM 1005 CA THR A 69 21.169 14.855 -21.090 1.00 12.14 C ATOM 1006 C THR A 69 21.642 14.954 -19.644 1.00 43.21 C ATOM 1007 O THR A 69 21.382 15.945 -18.961 1.00 50.54 O ATOM 1008 CB THR A 69 19.850 15.637 -21.241 1.00 3.23 C ATOM 1009 OG1 THR A 69 20.086 17.037 -21.051 1.00 64.31 O ATOM 1010 CG2 THR A 69 18.815 15.152 -20.237 1.00 62.21 C ATOM 0 H THR A 69 20.366 12.927 -20.920 1.00 73.32 H new ATOM 0 HA THR A 69 21.920 15.294 -21.747 1.00 12.14 H new ATOM 0 HB THR A 69 19.466 15.466 -22.247 1.00 3.23 H new ATOM 0 HG1 THR A 69 20.641 17.170 -20.254 1.00 64.31 H new ATOM 0 HG21 THR A 69 17.892 15.719 -20.363 1.00 62.21 H new ATOM 0 HG22 THR A 69 18.616 14.093 -20.402 1.00 62.21 H new ATOM 0 HG23 THR A 69 19.194 15.296 -19.225 1.00 62.21 H new ATOM 1018 N HIS A 70 22.340 13.921 -19.183 1.00 10.04 N ATOM 1019 CA HIS A 70 22.852 13.893 -17.817 1.00 35.21 C ATOM 1020 C HIS A 70 23.987 14.897 -17.641 1.00 70.32 C ATOM 1021 O HIS A 70 24.029 15.635 -16.657 1.00 20.32 O ATOM 1022 CB HIS A 70 23.338 12.488 -17.461 1.00 32.31 C ATOM 1023 CG HIS A 70 24.287 11.910 -18.465 1.00 42.11 C ATOM 1024 ND1 HIS A 70 23.875 11.161 -19.547 1.00 14.02 N ATOM 1025 CD2 HIS A 70 25.637 11.977 -18.548 1.00 75.22 C ATOM 1026 CE1 HIS A 70 24.929 10.790 -20.251 1.00 2.52 C ATOM 1027 NE2 HIS A 70 26.011 11.273 -19.666 1.00 51.03 N ATOM 0 H HIS A 70 22.564 13.093 -19.735 1.00 10.04 H new ATOM 0 HA HIS A 70 22.039 14.169 -17.145 1.00 35.21 H new ATOM 0 HB2 HIS A 70 23.826 12.517 -16.487 1.00 32.31 H new ATOM 0 HB3 HIS A 70 22.476 11.828 -17.366 1.00 32.31 H new ATOM 0 HD2 HIS A 70 26.296 12.489 -17.863 1.00 75.22 H new ATOM 0 HE1 HIS A 70 24.910 10.194 -21.151 1.00 2.52 H new ATOM 0 HE2 HIS A 70 26.969 11.144 -19.992 1.00 51.03 H new ATOM 1035 N ARG A 71 24.906 14.918 -18.601 1.00 74.34 N ATOM 1036 CA ARG A 71 26.042 15.829 -18.551 1.00 43.24 C ATOM 1037 C ARG A 71 25.578 17.266 -18.329 1.00 71.32 C ATOM 1038 O ARG A 71 26.043 17.943 -17.413 1.00 51.24 O ATOM 1039 CB ARG A 71 26.853 15.739 -19.845 1.00 62.44 C ATOM 1040 CG ARG A 71 28.036 16.693 -19.891 1.00 74.53 C ATOM 1041 CD ARG A 71 28.754 16.625 -21.230 1.00 24.13 C ATOM 1042 NE ARG A 71 28.108 17.457 -22.241 1.00 12.12 N ATOM 1043 CZ ARG A 71 28.642 17.718 -23.429 1.00 34.11 C ATOM 1044 NH1 ARG A 71 29.824 17.214 -23.753 1.00 62.42 N ATOM 1045 NH2 ARG A 71 27.992 18.484 -24.296 1.00 11.13 N ATOM 0 H ARG A 71 24.886 14.314 -19.423 1.00 74.34 H new ATOM 0 HA ARG A 71 26.674 15.535 -17.713 1.00 43.24 H new ATOM 0 HB2 ARG A 71 27.216 14.718 -19.966 1.00 62.44 H new ATOM 0 HB3 ARG A 71 26.197 15.947 -20.690 1.00 62.44 H new ATOM 0 HG2 ARG A 71 27.691 17.711 -19.713 1.00 74.53 H new ATOM 0 HG3 ARG A 71 28.734 16.448 -19.090 1.00 74.53 H new ATOM 0 HD2 ARG A 71 29.788 16.946 -21.103 1.00 24.13 H new ATOM 0 HD3 ARG A 71 28.781 15.591 -21.575 1.00 24.13 H new ATOM 0 HE ARG A 71 27.197 17.860 -22.023 1.00 12.12 H new ATOM 0 HH11 ARG A 71 30.326 16.624 -23.089 1.00 62.42 H new ATOM 0 HH12 ARG A 71 30.232 17.416 -24.666 1.00 62.42 H new ATOM 0 HH21 ARG A 71 27.082 18.873 -24.050 1.00 11.13 H new ATOM 0 HH22 ARG A 71 28.403 18.684 -25.208 1.00 11.13 H new ATOM 1059 N GLU A 72 24.659 17.722 -19.174 1.00 53.50 N ATOM 1060 CA GLU A 72 24.133 19.079 -19.070 1.00 22.31 C ATOM 1061 C GLU A 72 23.468 19.302 -17.715 1.00 20.22 C ATOM 1062 O GLU A 72 23.821 20.227 -16.983 1.00 44.11 O ATOM 1063 CB GLU A 72 23.130 19.348 -20.193 1.00 50.44 C ATOM 1064 CG GLU A 72 23.782 19.694 -21.522 1.00 30.33 C ATOM 1065 CD GLU A 72 22.770 20.047 -22.594 1.00 12.21 C ATOM 1066 OE1 GLU A 72 21.565 20.117 -22.273 1.00 40.24 O ATOM 1067 OE2 GLU A 72 23.183 20.254 -23.754 1.00 44.31 O ATOM 0 H GLU A 72 24.263 17.173 -19.937 1.00 53.50 H new ATOM 0 HA GLU A 72 24.968 19.773 -19.164 1.00 22.31 H new ATOM 0 HB2 GLU A 72 22.501 18.468 -20.325 1.00 50.44 H new ATOM 0 HB3 GLU A 72 22.475 20.167 -19.895 1.00 50.44 H new ATOM 0 HG2 GLU A 72 24.463 20.533 -21.381 1.00 30.33 H new ATOM 0 HG3 GLU A 72 24.382 18.849 -21.859 1.00 30.33 H new ATOM 1074 N ILE A 73 22.503 18.448 -17.388 1.00 44.42 N ATOM 1075 CA ILE A 73 21.789 18.552 -16.122 1.00 22.33 C ATOM 1076 C ILE A 73 22.759 18.585 -14.945 1.00 54.21 C ATOM 1077 O ILE A 73 22.521 19.273 -13.953 1.00 23.02 O ATOM 1078 CB ILE A 73 20.809 17.380 -15.931 1.00 74.42 C ATOM 1079 CG1 ILE A 73 19.676 17.462 -16.956 1.00 53.14 C ATOM 1080 CG2 ILE A 73 20.251 17.381 -14.516 1.00 34.41 C ATOM 1081 CD1 ILE A 73 18.763 18.652 -16.754 1.00 64.43 C ATOM 0 H ILE A 73 22.198 17.677 -17.982 1.00 44.42 H new ATOM 0 HA ILE A 73 21.226 19.485 -16.153 1.00 22.33 H new ATOM 0 HB ILE A 73 21.348 16.446 -16.087 1.00 74.42 H new ATOM 0 HG12 ILE A 73 20.105 17.509 -17.957 1.00 53.14 H new ATOM 0 HG13 ILE A 73 19.085 16.548 -16.906 1.00 53.14 H new ATOM 0 HG21 ILE A 73 19.560 16.547 -14.397 1.00 34.41 H new ATOM 0 HG22 ILE A 73 21.069 17.280 -13.802 1.00 34.41 H new ATOM 0 HG23 ILE A 73 19.724 18.317 -14.333 1.00 34.41 H new ATOM 0 HD11 ILE A 73 17.984 18.646 -17.516 1.00 64.43 H new ATOM 0 HD12 ILE A 73 18.305 18.596 -15.766 1.00 64.43 H new ATOM 0 HD13 ILE A 73 19.342 19.572 -16.834 1.00 64.43 H new ATOM 1093 N GLU A 74 23.852 17.839 -15.065 1.00 21.32 N ATOM 1094 CA GLU A 74 24.858 17.784 -14.011 1.00 2.34 C ATOM 1095 C GLU A 74 25.373 19.182 -13.677 1.00 72.31 C ATOM 1096 O GLU A 74 25.345 19.605 -12.522 1.00 3.21 O ATOM 1097 CB GLU A 74 26.023 16.887 -14.433 1.00 5.10 C ATOM 1098 CG GLU A 74 26.065 15.557 -13.699 1.00 54.14 C ATOM 1099 CD GLU A 74 26.332 15.717 -12.215 1.00 50.54 C ATOM 1100 OE1 GLU A 74 25.388 16.066 -11.476 1.00 60.11 O ATOM 1101 OE2 GLU A 74 27.486 15.494 -11.794 1.00 22.13 O ATOM 0 H GLU A 74 24.064 17.265 -15.881 1.00 21.32 H new ATOM 0 HA GLU A 74 24.391 17.365 -13.120 1.00 2.34 H new ATOM 0 HB2 GLU A 74 25.956 16.699 -15.505 1.00 5.10 H new ATOM 0 HB3 GLU A 74 26.960 17.417 -14.260 1.00 5.10 H new ATOM 0 HG2 GLU A 74 25.116 15.039 -13.840 1.00 54.14 H new ATOM 0 HG3 GLU A 74 26.840 14.929 -14.138 1.00 54.14 H new ATOM 1108 N MET A 75 25.842 19.892 -14.697 1.00 43.14 N ATOM 1109 CA MET A 75 26.363 21.242 -14.513 1.00 72.20 C ATOM 1110 C MET A 75 25.233 22.225 -14.222 1.00 24.15 C ATOM 1111 O MET A 75 25.432 23.226 -13.534 1.00 54.10 O ATOM 1112 CB MET A 75 27.135 21.688 -15.756 1.00 52.02 C ATOM 1113 CG MET A 75 26.279 21.760 -17.010 1.00 74.41 C ATOM 1114 SD MET A 75 27.111 22.597 -18.373 1.00 22.12 S ATOM 1115 CE MET A 75 25.723 23.387 -19.183 1.00 42.41 C ATOM 0 H MET A 75 25.872 19.556 -15.659 1.00 43.14 H new ATOM 0 HA MET A 75 27.040 21.230 -13.659 1.00 72.20 H new ATOM 0 HB2 MET A 75 27.574 22.668 -15.569 1.00 52.02 H new ATOM 0 HB3 MET A 75 27.960 20.997 -15.928 1.00 52.02 H new ATOM 0 HG2 MET A 75 26.009 20.750 -17.319 1.00 74.41 H new ATOM 0 HG3 MET A 75 25.350 22.282 -16.781 1.00 74.41 H new ATOM 0 HE1 MET A 75 26.077 23.946 -20.049 1.00 42.41 H new ATOM 0 HE2 MET A 75 25.011 22.628 -19.507 1.00 42.41 H new ATOM 0 HE3 MET A 75 25.235 24.068 -18.486 1.00 42.41 H new ATOM 1125 N ALA A 76 24.049 21.932 -14.749 1.00 43.31 N ATOM 1126 CA ALA A 76 22.889 22.790 -14.544 1.00 35.33 C ATOM 1127 C ALA A 76 22.464 22.797 -13.079 1.00 75.23 C ATOM 1128 O ALA A 76 21.956 23.799 -12.576 1.00 72.34 O ATOM 1129 CB ALA A 76 21.736 22.338 -15.428 1.00 34.23 C ATOM 0 H ALA A 76 23.868 21.107 -15.321 1.00 43.31 H new ATOM 0 HA ALA A 76 23.167 23.807 -14.820 1.00 35.33 H new ATOM 0 HB1 ALA A 76 20.876 22.988 -15.265 1.00 34.23 H new ATOM 0 HB2 ALA A 76 22.037 22.391 -16.474 1.00 34.23 H new ATOM 0 HB3 ALA A 76 21.468 21.311 -15.179 1.00 34.23 H new ATOM 1135 N GLN A 77 22.674 21.673 -12.401 1.00 51.04 N ATOM 1136 CA GLN A 77 22.311 21.551 -10.995 1.00 34.24 C ATOM 1137 C GLN A 77 22.904 22.694 -10.178 1.00 12.02 C ATOM 1138 O GLN A 77 22.180 23.440 -9.518 1.00 5.34 O ATOM 1139 CB GLN A 77 22.789 20.209 -10.437 1.00 74.34 C ATOM 1140 CG GLN A 77 21.764 19.519 -9.551 1.00 64.51 C ATOM 1141 CD GLN A 77 22.404 18.622 -8.510 1.00 30.44 C ATOM 1142 OE1 GLN A 77 23.317 17.853 -8.812 1.00 4.21 O ATOM 1143 NE2 GLN A 77 21.927 18.715 -7.274 1.00 35.10 N ATOM 0 H GLN A 77 23.093 20.835 -12.803 1.00 51.04 H new ATOM 0 HA GLN A 77 21.225 21.601 -10.921 1.00 34.24 H new ATOM 0 HB2 GLN A 77 23.042 19.549 -11.267 1.00 74.34 H new ATOM 0 HB3 GLN A 77 23.703 20.368 -9.865 1.00 74.34 H new ATOM 0 HG2 GLN A 77 21.155 20.272 -9.051 1.00 64.51 H new ATOM 0 HG3 GLN A 77 21.092 18.927 -10.172 1.00 64.51 H new ATOM 0 HE21 GLN A 77 21.169 19.366 -7.067 1.00 35.10 H new ATOM 0 HE22 GLN A 77 22.318 18.136 -6.531 1.00 35.10 H new ATOM 1152 N LYS A 78 24.225 22.826 -10.226 1.00 70.14 N ATOM 1153 CA LYS A 78 24.917 23.879 -9.492 1.00 72.41 C ATOM 1154 C LYS A 78 24.458 25.257 -9.956 1.00 12.41 C ATOM 1155 O LYS A 78 24.260 26.163 -9.144 1.00 63.33 O ATOM 1156 CB LYS A 78 26.431 23.745 -9.674 1.00 55.50 C ATOM 1157 CG LYS A 78 27.237 24.559 -8.676 1.00 71.33 C ATOM 1158 CD LYS A 78 28.730 24.429 -8.928 1.00 53.34 C ATOM 1159 CE LYS A 78 29.272 25.627 -9.694 1.00 34.22 C ATOM 1160 NZ LYS A 78 30.177 26.458 -8.854 1.00 1.54 N ATOM 0 H LYS A 78 24.839 22.216 -10.766 1.00 70.14 H new ATOM 0 HA LYS A 78 24.673 23.772 -8.435 1.00 72.41 H new ATOM 0 HB2 LYS A 78 26.708 22.695 -9.582 1.00 55.50 H new ATOM 0 HB3 LYS A 78 26.696 24.057 -10.684 1.00 55.50 H new ATOM 0 HG2 LYS A 78 26.946 25.607 -8.741 1.00 71.33 H new ATOM 0 HG3 LYS A 78 27.007 24.226 -7.664 1.00 71.33 H new ATOM 0 HD2 LYS A 78 29.254 24.337 -7.977 1.00 53.34 H new ATOM 0 HD3 LYS A 78 28.927 23.516 -9.491 1.00 53.34 H new ATOM 0 HE2 LYS A 78 29.811 25.281 -10.576 1.00 34.22 H new ATOM 0 HE3 LYS A 78 28.442 26.238 -10.048 1.00 34.22 H new ATOM 0 HZ1 LYS A 78 30.525 27.264 -9.411 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 29.656 26.810 -8.025 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 30.983 25.882 -8.537 1.00 1.54 H new ATOM 1174 N LEU A 79 24.288 25.410 -11.265 1.00 3.25 N ATOM 1175 CA LEU A 79 23.851 26.679 -11.836 1.00 75.23 C ATOM 1176 C LEU A 79 22.511 27.109 -11.247 1.00 21.44 C ATOM 1177 O LEU A 79 22.351 28.248 -10.806 1.00 63.30 O ATOM 1178 CB LEU A 79 23.737 26.563 -13.357 1.00 44.24 C ATOM 1179 CG LEU A 79 23.051 27.729 -14.070 1.00 11.00 C ATOM 1180 CD1 LEU A 79 23.652 27.939 -15.451 1.00 1.10 C ATOM 1181 CD2 LEU A 79 21.552 27.485 -14.170 1.00 62.22 C ATOM 0 H LEU A 79 24.446 24.671 -11.950 1.00 3.25 H new ATOM 0 HA LEU A 79 24.596 27.436 -11.589 1.00 75.23 H new ATOM 0 HB2 LEU A 79 24.740 26.451 -13.769 1.00 44.24 H new ATOM 0 HB3 LEU A 79 23.192 25.649 -13.592 1.00 44.24 H new ATOM 0 HG LEU A 79 23.214 28.634 -13.485 1.00 11.00 H new ATOM 0 HD11 LEU A 79 23.151 28.773 -15.943 1.00 1.10 H new ATOM 0 HD12 LEU A 79 24.715 28.160 -15.355 1.00 1.10 H new ATOM 0 HD13 LEU A 79 23.521 27.035 -16.046 1.00 1.10 H new ATOM 0 HD21 LEU A 79 21.080 28.325 -14.680 1.00 62.22 H new ATOM 0 HD22 LEU A 79 21.369 26.569 -14.732 1.00 62.22 H new ATOM 0 HD23 LEU A 79 21.132 27.386 -13.169 1.00 62.22 H new ATOM 1193 N LEU A 80 21.552 26.190 -11.239 1.00 72.33 N ATOM 1194 CA LEU A 80 20.226 26.472 -10.701 1.00 53.31 C ATOM 1195 C LEU A 80 20.321 27.052 -9.294 1.00 5.43 C ATOM 1196 O LEU A 80 19.652 28.032 -8.969 1.00 4.31 O ATOM 1197 CB LEU A 80 19.379 25.199 -10.683 1.00 72.54 C ATOM 1198 CG LEU A 80 18.336 25.071 -11.794 1.00 35.40 C ATOM 1199 CD1 LEU A 80 18.244 23.632 -12.277 1.00 33.50 C ATOM 1200 CD2 LEU A 80 16.978 25.560 -11.310 1.00 5.22 C ATOM 0 H LEU A 80 21.668 25.243 -11.599 1.00 72.33 H new ATOM 0 HA LEU A 80 19.749 27.209 -11.347 1.00 53.31 H new ATOM 0 HB2 LEU A 80 20.048 24.340 -10.740 1.00 72.54 H new ATOM 0 HB3 LEU A 80 18.867 25.141 -9.723 1.00 72.54 H new ATOM 0 HG LEU A 80 18.648 25.695 -12.632 1.00 35.40 H new ATOM 0 HD11 LEU A 80 17.497 23.561 -13.067 1.00 33.50 H new ATOM 0 HD12 LEU A 80 19.213 23.315 -12.664 1.00 33.50 H new ATOM 0 HD13 LEU A 80 17.956 22.987 -11.447 1.00 33.50 H new ATOM 0 HD21 LEU A 80 16.248 25.462 -12.114 1.00 5.22 H new ATOM 0 HD22 LEU A 80 16.660 24.963 -10.456 1.00 5.22 H new ATOM 0 HD23 LEU A 80 17.052 26.606 -11.014 1.00 5.22 H new ATOM 1212 N ASN A 81 21.160 26.441 -8.463 1.00 50.31 N ATOM 1213 CA ASN A 81 21.345 26.898 -7.091 1.00 11.35 C ATOM 1214 C ASN A 81 21.661 28.390 -7.052 1.00 2.31 C ATOM 1215 O ASN A 81 21.014 29.154 -6.336 1.00 51.30 O ATOM 1216 CB ASN A 81 22.469 26.110 -6.415 1.00 71.34 C ATOM 1217 CG ASN A 81 22.145 24.633 -6.291 1.00 43.32 C ATOM 1218 OD1 ASN A 81 22.714 23.800 -6.997 1.00 52.32 O ATOM 1219 ND2 ASN A 81 21.228 24.303 -5.390 1.00 75.32 N ATOM 0 H ASN A 81 21.722 25.628 -8.716 1.00 50.31 H new ATOM 0 HA ASN A 81 20.414 26.727 -6.550 1.00 11.35 H new ATOM 0 HB2 ASN A 81 23.389 26.231 -6.987 1.00 71.34 H new ATOM 0 HB3 ASN A 81 22.654 26.523 -5.423 1.00 71.34 H new ATOM 0 HD21 ASN A 81 20.969 23.325 -5.261 1.00 75.32 H new ATOM 0 HD22 ASN A 81 20.782 25.027 -4.827 1.00 75.32 H new ATOM 1226 N SER A 82 22.661 28.798 -7.828 1.00 13.14 N ATOM 1227 CA SER A 82 23.065 30.198 -7.880 1.00 65.01 C ATOM 1228 C SER A 82 21.869 31.099 -8.173 1.00 64.32 C ATOM 1229 O SER A 82 21.647 32.097 -7.487 1.00 71.44 O ATOM 1230 CB SER A 82 24.144 30.399 -8.947 1.00 14.44 C ATOM 1231 OG SER A 82 24.916 29.224 -9.120 1.00 35.21 O ATOM 0 H SER A 82 23.206 28.179 -8.429 1.00 13.14 H new ATOM 0 HA SER A 82 23.471 30.470 -6.906 1.00 65.01 H new ATOM 0 HB2 SER A 82 23.677 30.674 -9.893 1.00 14.44 H new ATOM 0 HB3 SER A 82 24.794 31.226 -8.660 1.00 14.44 H new ATOM 0 HG SER A 82 25.597 29.378 -9.808 1.00 35.21 H new ATOM 1237 N ASP A 83 21.103 30.739 -9.197 1.00 30.22 N ATOM 1238 CA ASP A 83 19.928 31.513 -9.582 1.00 24.34 C ATOM 1239 C ASP A 83 19.018 31.751 -8.381 1.00 54.24 C ATOM 1240 O ASP A 83 18.559 32.871 -8.149 1.00 71.41 O ATOM 1241 CB ASP A 83 19.157 30.792 -10.688 1.00 54.21 C ATOM 1242 CG ASP A 83 19.621 31.194 -12.074 1.00 63.22 C ATOM 1243 OD1 ASP A 83 20.727 30.774 -12.474 1.00 64.44 O ATOM 1244 OD2 ASP A 83 18.879 31.928 -12.759 1.00 33.30 O ATOM 0 H ASP A 83 21.274 29.916 -9.775 1.00 30.22 H new ATOM 0 HA ASP A 83 20.265 32.479 -9.956 1.00 24.34 H new ATOM 0 HB2 ASP A 83 19.275 29.715 -10.567 1.00 54.21 H new ATOM 0 HB3 ASP A 83 18.094 31.009 -10.587 1.00 54.21 H new ATOM 1249 N LEU A 84 18.759 30.692 -7.622 1.00 55.23 N ATOM 1250 CA LEU A 84 17.901 30.786 -6.446 1.00 21.53 C ATOM 1251 C LEU A 84 18.362 31.910 -5.524 1.00 52.21 C ATOM 1252 O LEU A 84 17.704 32.945 -5.414 1.00 64.34 O ATOM 1253 CB LEU A 84 17.898 29.458 -5.686 1.00 74.33 C ATOM 1254 CG LEU A 84 17.034 29.408 -4.425 1.00 63.03 C ATOM 1255 CD1 LEU A 84 15.618 29.870 -4.730 1.00 13.15 C ATOM 1256 CD2 LEU A 84 17.025 28.003 -3.840 1.00 52.14 C ATOM 0 H LEU A 84 19.131 29.759 -7.800 1.00 55.23 H new ATOM 0 HA LEU A 84 16.888 31.009 -6.782 1.00 21.53 H new ATOM 0 HB2 LEU A 84 17.561 28.675 -6.365 1.00 74.33 H new ATOM 0 HB3 LEU A 84 18.925 29.219 -5.409 1.00 74.33 H new ATOM 0 HG LEU A 84 17.463 30.085 -3.686 1.00 63.03 H new ATOM 0 HD11 LEU A 84 15.018 29.828 -3.821 1.00 13.15 H new ATOM 0 HD12 LEU A 84 15.642 30.894 -5.102 1.00 13.15 H new ATOM 0 HD13 LEU A 84 15.178 29.220 -5.486 1.00 13.15 H new ATOM 0 HD21 LEU A 84 16.405 27.986 -2.943 1.00 52.14 H new ATOM 0 HD22 LEU A 84 16.620 27.306 -4.574 1.00 52.14 H new ATOM 0 HD23 LEU A 84 18.043 27.709 -3.583 1.00 52.14 H new ATOM 1268 N ALA A 85 19.497 31.701 -4.865 1.00 72.12 N ATOM 1269 CA ALA A 85 20.048 32.699 -3.957 1.00 32.45 C ATOM 1270 C ALA A 85 20.144 34.062 -4.632 1.00 2.42 C ATOM 1271 O ALA A 85 19.938 35.095 -3.996 1.00 3.42 O ATOM 1272 CB ALA A 85 21.415 32.258 -3.455 1.00 61.12 C ATOM 0 H ALA A 85 20.053 30.849 -4.943 1.00 72.12 H new ATOM 0 HA ALA A 85 19.373 32.792 -3.106 1.00 32.45 H new ATOM 0 HB1 ALA A 85 21.815 33.013 -2.778 1.00 61.12 H new ATOM 0 HB2 ALA A 85 21.320 31.310 -2.926 1.00 61.12 H new ATOM 0 HB3 ALA A 85 22.091 32.135 -4.301 1.00 61.12 H new ATOM 1278 N GLU A 86 20.459 34.057 -5.923 1.00 41.34 N ATOM 1279 CA GLU A 86 20.584 35.295 -6.683 1.00 41.44 C ATOM 1280 C GLU A 86 19.316 36.137 -6.565 1.00 63.44 C ATOM 1281 O GLU A 86 19.372 37.321 -6.232 1.00 21.02 O ATOM 1282 CB GLU A 86 20.871 34.990 -8.155 1.00 25.11 C ATOM 1283 CG GLU A 86 22.323 35.206 -8.549 1.00 71.22 C ATOM 1284 CD GLU A 86 22.471 35.738 -9.961 1.00 52.13 C ATOM 1285 OE1 GLU A 86 22.147 34.995 -10.912 1.00 0.14 O ATOM 1286 OE2 GLU A 86 22.910 36.896 -10.116 1.00 43.54 O ATOM 0 H GLU A 86 20.632 33.210 -6.464 1.00 41.34 H new ATOM 0 HA GLU A 86 21.417 35.863 -6.268 1.00 41.44 H new ATOM 0 HB2 GLU A 86 20.597 33.956 -8.363 1.00 25.11 H new ATOM 0 HB3 GLU A 86 20.236 35.620 -8.778 1.00 25.11 H new ATOM 0 HG2 GLU A 86 22.785 35.905 -7.851 1.00 71.22 H new ATOM 0 HG3 GLU A 86 22.864 34.264 -8.461 1.00 71.22 H new ATOM 1293 N LEU A 87 18.174 35.517 -6.842 1.00 65.40 N ATOM 1294 CA LEU A 87 16.892 36.207 -6.768 1.00 15.12 C ATOM 1295 C LEU A 87 16.543 36.554 -5.324 1.00 54.11 C ATOM 1296 O LEU A 87 16.127 37.675 -5.028 1.00 24.11 O ATOM 1297 CB LEU A 87 15.788 35.341 -7.377 1.00 72.22 C ATOM 1298 CG LEU A 87 16.004 34.899 -8.825 1.00 72.11 C ATOM 1299 CD1 LEU A 87 14.775 34.173 -9.350 1.00 62.43 C ATOM 1300 CD2 LEU A 87 16.334 36.096 -9.704 1.00 44.13 C ATOM 0 H LEU A 87 18.110 34.538 -7.120 1.00 65.40 H new ATOM 0 HA LEU A 87 16.973 37.134 -7.336 1.00 15.12 H new ATOM 0 HB2 LEU A 87 15.670 34.450 -6.760 1.00 72.22 H new ATOM 0 HB3 LEU A 87 14.849 35.893 -7.323 1.00 72.22 H new ATOM 0 HG LEU A 87 16.848 34.209 -8.852 1.00 72.11 H new ATOM 0 HD11 LEU A 87 14.947 33.866 -10.382 1.00 62.43 H new ATOM 0 HD12 LEU A 87 14.583 33.293 -8.737 1.00 62.43 H new ATOM 0 HD13 LEU A 87 13.913 34.839 -9.309 1.00 62.43 H new ATOM 0 HD21 LEU A 87 16.485 35.763 -10.731 1.00 44.13 H new ATOM 0 HD22 LEU A 87 15.511 36.810 -9.671 1.00 44.13 H new ATOM 0 HD23 LEU A 87 17.244 36.574 -9.341 1.00 44.13 H new ATOM 1312 N ILE A 88 16.716 35.586 -4.430 1.00 52.51 N ATOM 1313 CA ILE A 88 16.422 35.791 -3.017 1.00 43.21 C ATOM 1314 C ILE A 88 17.150 37.017 -2.476 1.00 42.24 C ATOM 1315 O ILE A 88 16.562 37.843 -1.780 1.00 4.33 O ATOM 1316 CB ILE A 88 16.816 34.562 -2.177 1.00 1.25 C ATOM 1317 CG1 ILE A 88 16.087 33.316 -2.683 1.00 31.02 C ATOM 1318 CG2 ILE A 88 16.505 34.804 -0.707 1.00 3.00 C ATOM 1319 CD1 ILE A 88 16.662 32.022 -2.151 1.00 61.24 C ATOM 0 H ILE A 88 17.058 34.653 -4.659 1.00 52.51 H new ATOM 0 HA ILE A 88 15.346 35.946 -2.938 1.00 43.21 H new ATOM 0 HB ILE A 88 17.889 34.399 -2.280 1.00 1.25 H new ATOM 0 HG12 ILE A 88 15.036 33.380 -2.401 1.00 31.02 H new ATOM 0 HG13 ILE A 88 16.124 33.300 -3.772 1.00 31.02 H new ATOM 0 HG21 ILE A 88 16.789 33.927 -0.126 1.00 3.00 H new ATOM 0 HG22 ILE A 88 17.065 35.670 -0.354 1.00 3.00 H new ATOM 0 HG23 ILE A 88 15.438 34.989 -0.587 1.00 3.00 H new ATOM 0 HD11 ILE A 88 16.096 31.181 -2.551 1.00 61.24 H new ATOM 0 HD12 ILE A 88 17.705 31.935 -2.455 1.00 61.24 H new ATOM 0 HD13 ILE A 88 16.600 32.016 -1.063 1.00 61.24 H new ATOM 1331 N ASN A 89 18.433 37.129 -2.804 1.00 43.34 N ATOM 1332 CA ASN A 89 19.242 38.256 -2.353 1.00 21.33 C ATOM 1333 C ASN A 89 18.614 39.580 -2.775 1.00 12.41 C ATOM 1334 O ASN A 89 18.294 40.424 -1.937 1.00 62.01 O ATOM 1335 CB ASN A 89 20.661 38.149 -2.915 1.00 1.42 C ATOM 1336 CG ASN A 89 21.712 38.089 -1.823 1.00 62.23 C ATOM 1337 OD1 ASN A 89 21.546 38.674 -0.753 1.00 30.31 O ATOM 1338 ND2 ASN A 89 22.802 37.379 -2.091 1.00 22.14 N ATOM 0 H ASN A 89 18.935 36.453 -3.380 1.00 43.34 H new ATOM 0 HA ASN A 89 19.286 38.227 -1.264 1.00 21.33 H new ATOM 0 HB2 ASN A 89 20.736 37.257 -3.537 1.00 1.42 H new ATOM 0 HB3 ASN A 89 20.859 39.005 -3.560 1.00 1.42 H new ATOM 0 HD21 ASN A 89 23.544 37.302 -1.396 1.00 22.14 H new ATOM 0 HD22 ASN A 89 22.897 36.911 -2.992 1.00 22.14 H new ATOM 1345 N LYS A 90 18.439 39.756 -4.080 1.00 51.43 N ATOM 1346 CA LYS A 90 17.847 40.977 -4.616 1.00 22.33 C ATOM 1347 C LYS A 90 16.534 41.300 -3.910 1.00 71.43 C ATOM 1348 O LYS A 90 16.213 42.465 -3.680 1.00 55.01 O ATOM 1349 CB LYS A 90 17.608 40.835 -6.121 1.00 25.54 C ATOM 1350 CG LYS A 90 18.874 40.558 -6.914 1.00 0.22 C ATOM 1351 CD LYS A 90 19.246 41.736 -7.798 1.00 42.52 C ATOM 1352 CE LYS A 90 20.586 41.517 -8.484 1.00 0.20 C ATOM 1353 NZ LYS A 90 21.729 41.790 -7.569 1.00 13.40 N ATOM 0 H LYS A 90 18.699 39.068 -4.787 1.00 51.43 H new ATOM 0 HA LYS A 90 18.544 41.796 -4.441 1.00 22.33 H new ATOM 0 HB2 LYS A 90 16.897 40.027 -6.293 1.00 25.54 H new ATOM 0 HB3 LYS A 90 17.147 41.749 -6.495 1.00 25.54 H new ATOM 0 HG2 LYS A 90 19.694 40.343 -6.229 1.00 0.22 H new ATOM 0 HG3 LYS A 90 18.732 39.670 -7.530 1.00 0.22 H new ATOM 0 HD2 LYS A 90 18.471 41.887 -8.550 1.00 42.52 H new ATOM 0 HD3 LYS A 90 19.288 42.644 -7.197 1.00 42.52 H new ATOM 0 HE2 LYS A 90 20.646 40.490 -8.844 1.00 0.20 H new ATOM 0 HE3 LYS A 90 20.657 42.165 -9.357 1.00 0.20 H new ATOM 0 HZ1 LYS A 90 22.624 41.629 -8.074 1.00 13.40 H new ATOM 0 HZ2 LYS A 90 21.686 42.777 -7.245 1.00 13.40 H new ATOM 0 HZ3 LYS A 90 21.676 41.154 -6.748 1.00 13.40 H new ATOM 1367 N MET A 91 15.780 40.260 -3.568 1.00 72.15 N ATOM 1368 CA MET A 91 14.503 40.434 -2.887 1.00 14.15 C ATOM 1369 C MET A 91 14.703 41.052 -1.507 1.00 0.54 C ATOM 1370 O MET A 91 13.938 41.922 -1.087 1.00 64.42 O ATOM 1371 CB MET A 91 13.782 39.091 -2.756 1.00 63.35 C ATOM 1372 CG MET A 91 12.278 39.222 -2.582 1.00 51.13 C ATOM 1373 SD MET A 91 11.751 38.961 -0.878 1.00 14.11 S ATOM 1374 CE MET A 91 11.356 40.637 -0.385 1.00 43.30 C ATOM 0 H MET A 91 16.032 39.289 -3.751 1.00 72.15 H new ATOM 0 HA MET A 91 13.891 41.110 -3.484 1.00 14.15 H new ATOM 0 HB2 MET A 91 13.986 38.491 -3.643 1.00 63.35 H new ATOM 0 HB3 MET A 91 14.192 38.550 -1.903 1.00 63.35 H new ATOM 0 HG2 MET A 91 11.963 40.214 -2.908 1.00 51.13 H new ATOM 0 HG3 MET A 91 11.777 38.501 -3.228 1.00 51.13 H new ATOM 0 HE1 MET A 91 10.424 40.640 0.181 1.00 43.30 H new ATOM 0 HE2 MET A 91 12.159 41.032 0.237 1.00 43.30 H new ATOM 0 HE3 MET A 91 11.244 41.260 -1.272 1.00 43.30 H new ATOM 1384 N LYS A 92 15.736 40.599 -0.804 1.00 73.12 N ATOM 1385 CA LYS A 92 16.038 41.108 0.528 1.00 31.34 C ATOM 1386 C LYS A 92 16.277 42.614 0.494 1.00 33.14 C ATOM 1387 O LYS A 92 15.944 43.327 1.442 1.00 54.11 O ATOM 1388 CB LYS A 92 17.267 40.399 1.101 1.00 63.52 C ATOM 1389 CG LYS A 92 16.997 38.968 1.535 1.00 43.23 C ATOM 1390 CD LYS A 92 16.155 38.918 2.799 1.00 42.44 C ATOM 1391 CE LYS A 92 16.573 37.768 3.702 1.00 43.40 C ATOM 1392 NZ LYS A 92 15.443 37.284 4.542 1.00 60.54 N ATOM 0 H LYS A 92 16.378 39.879 -1.136 1.00 73.12 H new ATOM 0 HA LYS A 92 15.179 40.909 1.169 1.00 31.34 H new ATOM 0 HB2 LYS A 92 18.058 40.399 0.352 1.00 63.52 H new ATOM 0 HB3 LYS A 92 17.637 40.965 1.956 1.00 63.52 H new ATOM 0 HG2 LYS A 92 16.485 38.434 0.734 1.00 43.23 H new ATOM 0 HG3 LYS A 92 17.943 38.454 1.706 1.00 43.23 H new ATOM 0 HD2 LYS A 92 16.252 39.860 3.339 1.00 42.44 H new ATOM 0 HD3 LYS A 92 15.104 38.809 2.533 1.00 42.44 H new ATOM 0 HE2 LYS A 92 16.951 36.947 3.093 1.00 43.40 H new ATOM 0 HE3 LYS A 92 17.392 38.090 4.345 1.00 43.40 H new ATOM 0 HZ1 LYS A 92 15.728 36.418 5.042 1.00 60.54 H new ATOM 0 HZ2 LYS A 92 15.188 38.016 5.236 1.00 60.54 H new ATOM 0 HZ3 LYS A 92 14.623 37.080 3.936 1.00 60.54 H new ATOM 1406 N LEU A 93 16.854 43.092 -0.602 1.00 52.13 N ATOM 1407 CA LEU A 93 17.136 44.515 -0.760 1.00 74.34 C ATOM 1408 C LEU A 93 15.843 45.319 -0.853 1.00 31.02 C ATOM 1409 O LEU A 93 15.644 46.280 -0.110 1.00 73.04 O ATOM 1410 CB LEU A 93 17.987 44.750 -2.009 1.00 53.45 C ATOM 1411 CG LEU A 93 19.208 43.845 -2.170 1.00 24.01 C ATOM 1412 CD1 LEU A 93 19.809 44.000 -3.559 1.00 32.25 C ATOM 1413 CD2 LEU A 93 20.246 44.155 -1.101 1.00 31.34 C ATOM 0 H LEU A 93 17.136 42.516 -1.395 1.00 52.13 H new ATOM 0 HA LEU A 93 17.689 44.851 0.117 1.00 74.34 H new ATOM 0 HB2 LEU A 93 17.351 44.627 -2.886 1.00 53.45 H new ATOM 0 HB3 LEU A 93 18.326 45.786 -2.003 1.00 53.45 H new ATOM 0 HG LEU A 93 18.887 42.810 -2.049 1.00 24.01 H new ATOM 0 HD11 LEU A 93 20.677 43.348 -3.655 1.00 32.25 H new ATOM 0 HD12 LEU A 93 19.066 43.728 -4.309 1.00 32.25 H new ATOM 0 HD13 LEU A 93 20.115 45.035 -3.710 1.00 32.25 H new ATOM 0 HD21 LEU A 93 21.108 43.501 -1.231 1.00 31.34 H new ATOM 0 HD22 LEU A 93 20.562 45.194 -1.191 1.00 31.34 H new ATOM 0 HD23 LEU A 93 19.812 43.992 -0.114 1.00 31.34 H new ATOM 1425 N ALA A 94 14.967 44.918 -1.768 1.00 35.32 N ATOM 1426 CA ALA A 94 13.691 45.598 -1.954 1.00 41.22 C ATOM 1427 C ALA A 94 12.952 45.751 -0.629 1.00 53.33 C ATOM 1428 O ALA A 94 12.228 46.725 -0.421 1.00 64.04 O ATOM 1429 CB ALA A 94 12.831 44.842 -2.956 1.00 42.55 C ATOM 0 H ALA A 94 15.118 44.126 -2.392 1.00 35.32 H new ATOM 0 HA ALA A 94 13.893 46.595 -2.345 1.00 41.22 H new ATOM 0 HB1 ALA A 94 11.881 45.361 -3.085 1.00 42.55 H new ATOM 0 HB2 ALA A 94 13.349 44.790 -3.914 1.00 42.55 H new ATOM 0 HB3 ALA A 94 12.646 43.833 -2.588 1.00 42.55 H new ATOM 1435 N GLN A 95 13.138 44.783 0.262 1.00 0.42 N ATOM 1436 CA GLN A 95 12.487 44.811 1.567 1.00 53.25 C ATOM 1437 C GLN A 95 12.821 46.098 2.314 1.00 34.24 C ATOM 1438 O GLN A 95 11.992 46.630 3.052 1.00 32.12 O ATOM 1439 CB GLN A 95 12.911 43.599 2.398 1.00 50.31 C ATOM 1440 CG GLN A 95 11.748 42.879 3.061 1.00 50.01 C ATOM 1441 CD GLN A 95 11.156 43.665 4.214 1.00 21.33 C ATOM 1442 OE1 GLN A 95 11.796 43.844 5.251 1.00 14.41 O ATOM 1443 NE2 GLN A 95 9.928 44.138 4.040 1.00 51.53 N ATOM 0 H GLN A 95 13.734 43.970 0.105 1.00 0.42 H new ATOM 0 HA GLN A 95 11.409 44.774 1.409 1.00 53.25 H new ATOM 0 HB2 GLN A 95 13.444 42.897 1.756 1.00 50.31 H new ATOM 0 HB3 GLN A 95 13.612 43.923 3.167 1.00 50.31 H new ATOM 0 HG2 GLN A 95 10.972 42.690 2.319 1.00 50.01 H new ATOM 0 HG3 GLN A 95 12.086 41.908 3.424 1.00 50.01 H new ATOM 0 HE21 GLN A 95 9.434 43.966 3.164 1.00 51.53 H new ATOM 0 HE22 GLN A 95 9.478 44.674 4.782 1.00 51.53 H new ATOM 1452 N GLN A 96 14.039 46.591 2.118 1.00 0.24 N ATOM 1453 CA GLN A 96 14.482 47.815 2.776 1.00 51.03 C ATOM 1454 C GLN A 96 14.450 48.994 1.809 1.00 4.21 C ATOM 1455 O GLN A 96 14.381 50.150 2.227 1.00 53.44 O ATOM 1456 CB GLN A 96 15.894 47.636 3.335 1.00 45.21 C ATOM 1457 CG GLN A 96 16.583 48.947 3.679 1.00 11.02 C ATOM 1458 CD GLN A 96 17.558 48.809 4.832 1.00 61.13 C ATOM 1459 OE1 GLN A 96 18.749 48.569 4.627 1.00 15.44 O ATOM 1460 NE2 GLN A 96 17.058 48.960 6.052 1.00 35.34 N ATOM 0 H GLN A 96 14.737 46.163 1.510 1.00 0.24 H new ATOM 0 HA GLN A 96 13.798 48.024 3.598 1.00 51.03 H new ATOM 0 HB2 GLN A 96 15.846 47.015 4.229 1.00 45.21 H new ATOM 0 HB3 GLN A 96 16.499 47.098 2.605 1.00 45.21 H new ATOM 0 HG2 GLN A 96 17.114 49.315 2.801 1.00 11.02 H new ATOM 0 HG3 GLN A 96 15.830 49.693 3.932 1.00 11.02 H new ATOM 0 HE21 GLN A 96 16.065 49.158 6.175 1.00 35.34 H new ATOM 0 HE22 GLN A 96 17.667 48.878 6.866 1.00 35.34 H new ATOM 1469 N TYR A 97 14.503 48.694 0.516 1.00 14.21 N ATOM 1470 CA TYR A 97 14.483 49.730 -0.510 1.00 71.21 C ATOM 1471 C TYR A 97 13.069 49.942 -1.043 1.00 62.53 C ATOM 1472 O TYR A 97 12.880 50.388 -2.175 1.00 61.51 O ATOM 1473 CB TYR A 97 15.422 49.357 -1.658 1.00 45.32 C ATOM 1474 CG TYR A 97 16.877 49.650 -1.369 1.00 65.11 C ATOM 1475 CD1 TYR A 97 17.296 50.934 -1.042 1.00 23.32 C ATOM 1476 CD2 TYR A 97 17.833 48.643 -1.424 1.00 44.22 C ATOM 1477 CE1 TYR A 97 18.625 51.206 -0.777 1.00 53.15 C ATOM 1478 CE2 TYR A 97 19.164 48.906 -1.160 1.00 55.00 C ATOM 1479 CZ TYR A 97 19.554 50.189 -0.837 1.00 63.14 C ATOM 1480 OH TYR A 97 20.879 50.455 -0.575 1.00 14.01 O ATOM 0 H TYR A 97 14.560 47.742 0.154 1.00 14.21 H new ATOM 0 HA TYR A 97 14.824 50.661 -0.057 1.00 71.21 H new ATOM 0 HB2 TYR A 97 15.310 48.295 -1.877 1.00 45.32 H new ATOM 0 HB3 TYR A 97 15.121 49.901 -2.554 1.00 45.32 H new ATOM 0 HD1 TYR A 97 16.571 51.733 -0.994 1.00 23.32 H new ATOM 0 HD2 TYR A 97 17.531 47.638 -1.677 1.00 44.22 H new ATOM 0 HE1 TYR A 97 18.934 52.210 -0.524 1.00 53.15 H new ATOM 0 HE2 TYR A 97 19.894 48.112 -1.206 1.00 55.00 H new ATOM 0 HH TYR A 97 21.401 49.630 -0.659 1.00 14.01 H new ATOM 1490 N VAL A 98 12.078 49.619 -0.218 1.00 61.45 N ATOM 1491 CA VAL A 98 10.681 49.774 -0.604 1.00 52.44 C ATOM 1492 C VAL A 98 10.051 50.978 0.087 1.00 54.20 C ATOM 1493 O VAL A 98 9.238 51.690 -0.503 1.00 2.25 O ATOM 1494 CB VAL A 98 9.861 48.515 -0.266 1.00 63.11 C ATOM 1495 CG1 VAL A 98 10.068 48.118 1.188 1.00 72.34 C ATOM 1496 CG2 VAL A 98 8.387 48.744 -0.560 1.00 55.43 C ATOM 0 H VAL A 98 12.217 49.248 0.722 1.00 61.45 H new ATOM 0 HA VAL A 98 10.666 49.928 -1.683 1.00 52.44 H new ATOM 0 HB VAL A 98 10.210 47.696 -0.895 1.00 63.11 H new ATOM 0 HG11 VAL A 98 9.481 47.227 1.409 1.00 72.34 H new ATOM 0 HG12 VAL A 98 11.124 47.909 1.361 1.00 72.34 H new ATOM 0 HG13 VAL A 98 9.748 48.933 1.837 1.00 72.34 H new ATOM 0 HG21 VAL A 98 7.823 47.844 -0.315 1.00 55.43 H new ATOM 0 HG22 VAL A 98 8.021 49.576 0.041 1.00 55.43 H new ATOM 0 HG23 VAL A 98 8.259 48.976 -1.617 1.00 55.43 H new ATOM 1506 N MET A 99 10.431 51.200 1.341 1.00 65.12 N ATOM 1507 CA MET A 99 9.905 52.319 2.112 1.00 14.55 C ATOM 1508 C MET A 99 10.543 53.633 1.670 1.00 33.45 C ATOM 1509 O MET A 99 10.065 54.714 2.015 1.00 41.34 O ATOM 1510 CB MET A 99 10.150 52.097 3.606 1.00 14.32 C ATOM 1511 CG MET A 99 11.593 52.323 4.025 1.00 2.14 C ATOM 1512 SD MET A 99 12.045 51.381 5.495 1.00 41.20 S ATOM 1513 CE MET A 99 13.768 51.029 5.155 1.00 71.34 C ATOM 0 H MET A 99 11.102 50.619 1.844 1.00 65.12 H new ATOM 0 HA MET A 99 8.832 52.378 1.932 1.00 14.55 H new ATOM 0 HB2 MET A 99 9.506 52.767 4.175 1.00 14.32 H new ATOM 0 HB3 MET A 99 9.860 51.079 3.866 1.00 14.32 H new ATOM 0 HG2 MET A 99 12.254 52.046 3.203 1.00 2.14 H new ATOM 0 HG3 MET A 99 11.750 53.385 4.216 1.00 2.14 H new ATOM 0 HE1 MET A 99 13.890 49.963 4.962 1.00 71.34 H new ATOM 0 HE2 MET A 99 14.089 51.595 4.281 1.00 71.34 H new ATOM 0 HE3 MET A 99 14.374 51.314 6.015 1.00 71.34 H new ATOM 1523 N THR A 100 11.626 53.531 0.906 1.00 54.42 N ATOM 1524 CA THR A 100 12.330 54.711 0.418 1.00 32.52 C ATOM 1525 C THR A 100 11.742 55.195 -0.902 1.00 51.21 C ATOM 1526 O THR A 100 11.062 56.220 -0.951 1.00 13.04 O ATOM 1527 CB THR A 100 13.832 54.428 0.225 1.00 12.24 C ATOM 1528 OG1 THR A 100 14.079 53.020 0.303 1.00 24.02 O ATOM 1529 CG2 THR A 100 14.658 55.152 1.278 1.00 51.44 C ATOM 0 H THR A 100 12.035 52.644 0.612 1.00 54.42 H new ATOM 0 HA THR A 100 12.208 55.487 1.173 1.00 32.52 H new ATOM 0 HB THR A 100 14.125 54.794 -0.759 1.00 12.24 H new ATOM 0 HG1 THR A 100 15.036 52.848 0.178 1.00 24.02 H new ATOM 0 HG21 THR A 100 15.715 54.937 1.122 1.00 51.44 H new ATOM 0 HG22 THR A 100 14.490 56.226 1.197 1.00 51.44 H new ATOM 0 HG23 THR A 100 14.361 54.812 2.270 1.00 51.44 H new ATOM 1537 N SER A 101 12.008 54.452 -1.971 1.00 70.14 N ATOM 1538 CA SER A 101 11.507 54.808 -3.294 1.00 3.22 C ATOM 1539 C SER A 101 12.006 53.823 -4.347 1.00 13.21 C ATOM 1540 O SER A 101 11.331 53.570 -5.346 1.00 31.33 O ATOM 1541 CB SER A 101 11.942 56.228 -3.661 1.00 52.33 C ATOM 1542 OG SER A 101 10.819 57.063 -3.884 1.00 51.55 O ATOM 0 H SER A 101 12.568 53.600 -1.947 1.00 70.14 H new ATOM 0 HA SER A 101 10.418 54.764 -3.268 1.00 3.22 H new ATOM 0 HB2 SER A 101 12.554 56.643 -2.860 1.00 52.33 H new ATOM 0 HB3 SER A 101 12.563 56.202 -4.556 1.00 52.33 H new ATOM 0 HG SER A 101 11.123 57.965 -4.115 1.00 51.55 H new ATOM 1548 N LEU A 102 13.192 53.271 -4.117 1.00 35.45 N ATOM 1549 CA LEU A 102 13.782 52.313 -5.044 1.00 65.55 C ATOM 1550 C LEU A 102 13.106 50.951 -4.925 1.00 60.42 C ATOM 1551 O LEU A 102 13.749 49.955 -4.595 1.00 64.10 O ATOM 1552 CB LEU A 102 15.283 52.175 -4.779 1.00 73.43 C ATOM 1553 CG LEU A 102 16.023 53.465 -4.427 1.00 24.13 C ATOM 1554 CD1 LEU A 102 17.511 53.197 -4.258 1.00 11.41 C ATOM 1555 CD2 LEU A 102 15.788 54.524 -5.494 1.00 32.21 C ATOM 0 H LEU A 102 13.764 53.471 -3.296 1.00 35.45 H new ATOM 0 HA LEU A 102 13.630 52.685 -6.057 1.00 65.55 H new ATOM 0 HB2 LEU A 102 15.424 51.465 -3.964 1.00 73.43 H new ATOM 0 HB3 LEU A 102 15.750 51.742 -5.664 1.00 73.43 H new ATOM 0 HG LEU A 102 15.632 53.839 -3.481 1.00 24.13 H new ATOM 0 HD11 LEU A 102 18.022 54.127 -4.008 1.00 11.41 H new ATOM 0 HD12 LEU A 102 17.662 52.473 -3.457 1.00 11.41 H new ATOM 0 HD13 LEU A 102 17.917 52.799 -5.188 1.00 11.41 H new ATOM 0 HD21 LEU A 102 16.323 55.435 -5.226 1.00 32.21 H new ATOM 0 HD22 LEU A 102 16.151 54.159 -6.455 1.00 32.21 H new ATOM 0 HD23 LEU A 102 14.721 54.737 -5.566 1.00 32.21 H new ATOM 1567 N GLN A 103 11.806 50.916 -5.198 1.00 72.53 N ATOM 1568 CA GLN A 103 11.043 49.675 -5.123 1.00 1.12 C ATOM 1569 C GLN A 103 10.911 49.033 -6.500 1.00 33.23 C ATOM 1570 O GLN A 103 11.378 47.916 -6.721 1.00 34.23 O ATOM 1571 CB GLN A 103 9.656 49.940 -4.535 1.00 31.42 C ATOM 1572 CG GLN A 103 8.644 48.850 -4.850 1.00 32.12 C ATOM 1573 CD GLN A 103 7.694 48.585 -3.698 1.00 41.02 C ATOM 1574 OE1 GLN A 103 6.953 49.472 -3.273 1.00 23.23 O ATOM 1575 NE2 GLN A 103 7.711 47.360 -3.187 1.00 33.32 N ATOM 0 H GLN A 103 11.259 51.732 -5.473 1.00 72.53 H new ATOM 0 HA GLN A 103 11.580 48.986 -4.472 1.00 1.12 H new ATOM 0 HB2 GLN A 103 9.742 50.043 -3.453 1.00 31.42 H new ATOM 0 HB3 GLN A 103 9.284 50.891 -4.917 1.00 31.42 H new ATOM 0 HG2 GLN A 103 8.070 49.136 -5.731 1.00 32.12 H new ATOM 0 HG3 GLN A 103 9.172 47.930 -5.099 1.00 32.12 H new ATOM 0 HE21 GLN A 103 8.342 46.656 -3.571 1.00 33.32 H new ATOM 0 HE22 GLN A 103 7.093 47.123 -2.411 1.00 33.32 H new ATOM 1584 N GLN A 104 10.271 49.746 -7.421 1.00 43.20 N ATOM 1585 CA GLN A 104 10.077 49.244 -8.776 1.00 40.22 C ATOM 1586 C GLN A 104 11.407 48.838 -9.402 1.00 41.32 C ATOM 1587 O GLN A 104 11.452 47.985 -10.288 1.00 54.51 O ATOM 1588 CB GLN A 104 9.395 50.304 -9.642 1.00 54.43 C ATOM 1589 CG GLN A 104 8.169 50.925 -8.992 1.00 31.14 C ATOM 1590 CD GLN A 104 8.445 52.302 -8.421 1.00 41.12 C ATOM 1591 OE1 GLN A 104 9.546 52.580 -7.944 1.00 33.30 O ATOM 1592 NE2 GLN A 104 7.445 53.174 -8.468 1.00 33.02 N ATOM 0 H GLN A 104 9.878 50.672 -7.254 1.00 43.20 H new ATOM 0 HA GLN A 104 9.438 48.363 -8.722 1.00 40.22 H new ATOM 0 HB2 GLN A 104 10.113 51.092 -9.870 1.00 54.43 H new ATOM 0 HB3 GLN A 104 9.104 49.853 -10.591 1.00 54.43 H new ATOM 0 HG2 GLN A 104 7.368 50.995 -9.728 1.00 31.14 H new ATOM 0 HG3 GLN A 104 7.814 50.270 -8.196 1.00 31.14 H new ATOM 0 HE21 GLN A 104 6.549 52.901 -8.872 1.00 33.02 H new ATOM 0 HE22 GLN A 104 7.573 54.117 -8.100 1.00 33.02 H new ATOM 1601 N GLU A 105 12.488 49.455 -8.936 1.00 2.45 N ATOM 1602 CA GLU A 105 13.819 49.158 -9.452 1.00 2.14 C ATOM 1603 C GLU A 105 14.082 47.655 -9.446 1.00 74.22 C ATOM 1604 O GLU A 105 14.320 47.051 -10.493 1.00 13.53 O ATOM 1605 CB GLU A 105 14.885 49.876 -8.621 1.00 33.15 C ATOM 1606 CG GLU A 105 14.953 51.372 -8.879 1.00 72.30 C ATOM 1607 CD GLU A 105 16.197 52.009 -8.292 1.00 41.11 C ATOM 1608 OE1 GLU A 105 17.094 51.261 -7.850 1.00 20.20 O ATOM 1609 OE2 GLU A 105 16.274 53.255 -8.274 1.00 42.24 O ATOM 0 H GLU A 105 12.468 50.163 -8.202 1.00 2.45 H new ATOM 0 HA GLU A 105 13.869 49.515 -10.481 1.00 2.14 H new ATOM 0 HB2 GLU A 105 14.684 49.707 -7.563 1.00 33.15 H new ATOM 0 HB3 GLU A 105 15.858 49.434 -8.835 1.00 33.15 H new ATOM 0 HG2 GLU A 105 14.929 51.553 -9.954 1.00 72.30 H new ATOM 0 HG3 GLU A 105 14.070 51.850 -8.455 1.00 72.30 H new ATOM 1616 N TYR A 106 14.037 47.057 -8.261 1.00 32.11 N ATOM 1617 CA TYR A 106 14.272 45.625 -8.118 1.00 5.23 C ATOM 1618 C TYR A 106 13.233 44.822 -8.894 1.00 25.31 C ATOM 1619 O TYR A 106 13.529 43.752 -9.426 1.00 70.42 O ATOM 1620 CB TYR A 106 14.242 45.227 -6.641 1.00 42.21 C ATOM 1621 CG TYR A 106 13.898 43.773 -6.413 1.00 34.21 C ATOM 1622 CD1 TYR A 106 14.766 42.763 -6.808 1.00 60.32 C ATOM 1623 CD2 TYR A 106 12.704 43.409 -5.803 1.00 74.41 C ATOM 1624 CE1 TYR A 106 14.455 41.432 -6.602 1.00 42.44 C ATOM 1625 CE2 TYR A 106 12.385 42.081 -5.592 1.00 2.11 C ATOM 1626 CZ TYR A 106 13.264 41.097 -5.994 1.00 30.25 C ATOM 1627 OH TYR A 106 12.950 39.773 -5.786 1.00 52.13 O ATOM 0 H TYR A 106 13.840 47.542 -7.385 1.00 32.11 H new ATOM 0 HA TYR A 106 15.257 45.402 -8.528 1.00 5.23 H new ATOM 0 HB2 TYR A 106 15.216 45.435 -6.197 1.00 42.21 H new ATOM 0 HB3 TYR A 106 13.515 45.850 -6.120 1.00 42.21 H new ATOM 0 HD1 TYR A 106 15.700 43.022 -7.284 1.00 60.32 H new ATOM 0 HD2 TYR A 106 12.013 44.177 -5.488 1.00 74.41 H new ATOM 0 HE1 TYR A 106 15.141 40.659 -6.916 1.00 42.44 H new ATOM 0 HE2 TYR A 106 11.453 41.815 -5.115 1.00 2.11 H new ATOM 0 HH TYR A 106 12.077 39.709 -5.346 1.00 52.13 H new ATOM 1637 N LYS A 107 12.014 45.346 -8.955 1.00 2.34 N ATOM 1638 CA LYS A 107 10.929 44.681 -9.667 1.00 3.43 C ATOM 1639 C LYS A 107 11.260 44.535 -11.148 1.00 65.34 C ATOM 1640 O LYS A 107 11.054 43.475 -11.740 1.00 31.45 O ATOM 1641 CB LYS A 107 9.626 45.466 -9.500 1.00 20.13 C ATOM 1642 CG LYS A 107 8.921 45.201 -8.181 1.00 22.33 C ATOM 1643 CD LYS A 107 8.514 43.743 -8.049 1.00 71.33 C ATOM 1644 CE LYS A 107 9.398 43.004 -7.056 1.00 45.25 C ATOM 1645 NZ LYS A 107 10.119 41.867 -7.694 1.00 13.40 N ATOM 0 H LYS A 107 11.752 46.230 -8.519 1.00 2.34 H new ATOM 0 HA LYS A 107 10.804 43.686 -9.241 1.00 3.43 H new ATOM 0 HB2 LYS A 107 9.841 46.532 -9.580 1.00 20.13 H new ATOM 0 HB3 LYS A 107 8.953 45.214 -10.319 1.00 20.13 H new ATOM 0 HG2 LYS A 107 9.579 45.472 -7.355 1.00 22.33 H new ATOM 0 HG3 LYS A 107 8.037 45.835 -8.106 1.00 22.33 H new ATOM 0 HD2 LYS A 107 7.474 43.682 -7.727 1.00 71.33 H new ATOM 0 HD3 LYS A 107 8.575 43.258 -9.023 1.00 71.33 H new ATOM 0 HE2 LYS A 107 10.121 43.698 -6.627 1.00 45.25 H new ATOM 0 HE3 LYS A 107 8.787 42.631 -6.234 1.00 45.25 H new ATOM 0 HZ1 LYS A 107 11.068 41.780 -7.278 1.00 13.40 H new ATOM 0 HZ2 LYS A 107 9.589 40.986 -7.534 1.00 13.40 H new ATOM 0 HZ3 LYS A 107 10.204 42.039 -8.716 1.00 13.40 H new ATOM 1659 N LYS A 108 11.777 45.605 -11.743 1.00 73.23 N ATOM 1660 CA LYS A 108 12.140 45.595 -13.155 1.00 54.25 C ATOM 1661 C LYS A 108 13.245 44.580 -13.426 1.00 44.02 C ATOM 1662 O LYS A 108 13.125 43.742 -14.319 1.00 32.41 O ATOM 1663 CB LYS A 108 12.593 46.989 -13.596 1.00 70.22 C ATOM 1664 CG LYS A 108 11.471 48.012 -13.627 1.00 51.01 C ATOM 1665 CD LYS A 108 11.911 49.302 -14.299 1.00 11.15 C ATOM 1666 CE LYS A 108 12.055 50.433 -13.292 1.00 3.20 C ATOM 1667 NZ LYS A 108 12.212 51.754 -13.961 1.00 5.30 N ATOM 0 H LYS A 108 11.954 46.490 -11.269 1.00 73.23 H new ATOM 0 HA LYS A 108 11.259 45.307 -13.729 1.00 54.25 H new ATOM 0 HB2 LYS A 108 13.374 47.339 -12.920 1.00 70.22 H new ATOM 0 HB3 LYS A 108 13.038 46.920 -14.589 1.00 70.22 H new ATOM 0 HG2 LYS A 108 10.614 47.598 -14.158 1.00 51.01 H new ATOM 0 HG3 LYS A 108 11.143 48.224 -12.610 1.00 51.01 H new ATOM 0 HD2 LYS A 108 12.862 49.143 -14.808 1.00 11.15 H new ATOM 0 HD3 LYS A 108 11.185 49.583 -15.062 1.00 11.15 H new ATOM 0 HE2 LYS A 108 11.179 50.456 -12.644 1.00 3.20 H new ATOM 0 HE3 LYS A 108 12.919 50.244 -12.654 1.00 3.20 H new ATOM 0 HZ1 LYS A 108 12.307 52.499 -13.241 1.00 5.30 H new ATOM 0 HZ2 LYS A 108 13.062 51.741 -14.560 1.00 5.30 H new ATOM 0 HZ3 LYS A 108 11.377 51.946 -14.550 1.00 5.30 H new ATOM 1681 N GLN A 109 14.321 44.662 -12.649 1.00 74.41 N ATOM 1682 CA GLN A 109 15.447 43.749 -12.806 1.00 32.23 C ATOM 1683 C GLN A 109 15.010 42.303 -12.590 1.00 41.53 C ATOM 1684 O GLN A 109 15.334 41.422 -13.385 1.00 45.04 O ATOM 1685 CB GLN A 109 16.563 44.109 -11.823 1.00 73.33 C ATOM 1686 CG GLN A 109 16.961 45.575 -11.866 1.00 1.12 C ATOM 1687 CD GLN A 109 18.030 45.919 -10.847 1.00 50.23 C ATOM 1688 OE1 GLN A 109 18.964 45.148 -10.626 1.00 43.21 O ATOM 1689 NE2 GLN A 109 17.898 47.082 -10.220 1.00 42.34 N ATOM 0 H GLN A 109 14.436 45.351 -11.905 1.00 74.41 H new ATOM 0 HA GLN A 109 15.823 43.847 -13.824 1.00 32.23 H new ATOM 0 HB2 GLN A 109 16.241 43.858 -10.812 1.00 73.33 H new ATOM 0 HB3 GLN A 109 17.438 43.497 -12.040 1.00 73.33 H new ATOM 0 HG2 GLN A 109 17.324 45.820 -12.864 1.00 1.12 H new ATOM 0 HG3 GLN A 109 16.081 46.192 -11.686 1.00 1.12 H new ATOM 0 HE21 GLN A 109 17.108 47.690 -10.435 1.00 42.34 H new ATOM 0 HE22 GLN A 109 18.587 47.367 -9.524 1.00 42.34 H new ATOM 1698 N MET A 110 14.273 42.068 -11.510 1.00 11.12 N ATOM 1699 CA MET A 110 13.791 40.729 -11.191 1.00 2.12 C ATOM 1700 C MET A 110 12.997 40.145 -12.355 1.00 0.31 C ATOM 1701 O MET A 110 13.103 38.956 -12.657 1.00 71.14 O ATOM 1702 CB MET A 110 12.923 40.763 -9.932 1.00 34.12 C ATOM 1703 CG MET A 110 12.826 39.421 -9.224 1.00 53.21 C ATOM 1704 SD MET A 110 11.133 38.807 -9.128 1.00 1.32 S ATOM 1705 CE MET A 110 11.365 37.097 -9.606 1.00 45.03 C ATOM 0 H MET A 110 13.996 42.787 -10.841 1.00 11.12 H new ATOM 0 HA MET A 110 14.657 40.092 -11.010 1.00 2.12 H new ATOM 0 HB2 MET A 110 13.329 41.501 -9.240 1.00 34.12 H new ATOM 0 HB3 MET A 110 11.921 41.096 -10.201 1.00 34.12 H new ATOM 0 HG2 MET A 110 13.443 38.692 -9.749 1.00 53.21 H new ATOM 0 HG3 MET A 110 13.232 39.516 -8.217 1.00 53.21 H new ATOM 0 HE1 MET A 110 10.713 36.863 -10.447 1.00 45.03 H new ATOM 0 HE2 MET A 110 12.403 36.938 -9.897 1.00 45.03 H new ATOM 0 HE3 MET A 110 11.120 36.448 -8.765 1.00 45.03 H new ATOM 1715 N LEU A 111 12.202 40.988 -13.004 1.00 51.25 N ATOM 1716 CA LEU A 111 11.389 40.555 -14.136 1.00 42.40 C ATOM 1717 C LEU A 111 12.255 39.909 -15.212 1.00 71.54 C ATOM 1718 O LEU A 111 11.983 38.792 -15.656 1.00 51.54 O ATOM 1719 CB LEU A 111 10.626 41.743 -14.725 1.00 11.12 C ATOM 1720 CG LEU A 111 9.103 41.694 -14.593 1.00 43.21 C ATOM 1721 CD1 LEU A 111 8.468 42.885 -15.294 1.00 64.04 C ATOM 1722 CD2 LEU A 111 8.561 40.389 -15.157 1.00 53.23 C ATOM 0 H LEU A 111 12.103 41.975 -12.766 1.00 51.25 H new ATOM 0 HA LEU A 111 10.675 39.814 -13.777 1.00 42.40 H new ATOM 0 HB2 LEU A 111 10.983 42.653 -14.244 1.00 11.12 H new ATOM 0 HB3 LEU A 111 10.877 41.822 -15.783 1.00 11.12 H new ATOM 0 HG LEU A 111 8.847 41.743 -13.535 1.00 43.21 H new ATOM 0 HD11 LEU A 111 7.384 42.833 -15.190 1.00 64.04 H new ATOM 0 HD12 LEU A 111 8.832 43.809 -14.844 1.00 64.04 H new ATOM 0 HD13 LEU A 111 8.732 42.868 -16.351 1.00 64.04 H new ATOM 0 HD21 LEU A 111 7.476 40.371 -15.055 1.00 53.23 H new ATOM 0 HD22 LEU A 111 8.828 40.310 -16.211 1.00 53.23 H new ATOM 0 HD23 LEU A 111 8.991 39.550 -14.610 1.00 53.23 H new ATOM 1734 N THR A 112 13.301 40.616 -15.627 1.00 63.05 N ATOM 1735 CA THR A 112 14.208 40.111 -16.651 1.00 31.03 C ATOM 1736 C THR A 112 14.836 38.789 -16.225 1.00 3.14 C ATOM 1737 O THR A 112 14.660 37.766 -16.885 1.00 64.13 O ATOM 1738 CB THR A 112 15.328 41.123 -16.958 1.00 54.12 C ATOM 1739 OG1 THR A 112 14.849 42.458 -16.762 1.00 55.23 O ATOM 1740 CG2 THR A 112 15.825 40.962 -18.387 1.00 23.03 C ATOM 0 H THR A 112 13.541 41.541 -15.270 1.00 63.05 H new ATOM 0 HA THR A 112 13.613 39.955 -17.551 1.00 31.03 H new ATOM 0 HB THR A 112 16.158 40.932 -16.277 1.00 54.12 H new ATOM 0 HG1 THR A 112 15.567 43.095 -16.958 1.00 55.23 H new ATOM 0 HG21 THR A 112 16.615 41.687 -18.581 1.00 23.03 H new ATOM 0 HG22 THR A 112 16.215 39.954 -18.525 1.00 23.03 H new ATOM 0 HG23 THR A 112 15.001 41.130 -19.080 1.00 23.03 H new ATOM 1748 N ALA A 113 15.569 38.818 -15.116 1.00 62.34 N ATOM 1749 CA ALA A 113 16.222 37.620 -14.601 1.00 15.52 C ATOM 1750 C ALA A 113 15.234 36.465 -14.482 1.00 74.11 C ATOM 1751 O ALA A 113 15.548 35.329 -14.834 1.00 60.54 O ATOM 1752 CB ALA A 113 16.864 37.909 -13.252 1.00 31.20 C ATOM 0 H ALA A 113 15.725 39.657 -14.558 1.00 62.34 H new ATOM 0 HA ALA A 113 17.000 37.327 -15.307 1.00 15.52 H new ATOM 0 HB1 ALA A 113 17.348 37.007 -12.879 1.00 31.20 H new ATOM 0 HB2 ALA A 113 17.606 38.699 -13.364 1.00 31.20 H new ATOM 0 HB3 ALA A 113 16.098 38.229 -12.546 1.00 31.20 H new ATOM 1758 N ALA A 114 14.038 36.763 -13.983 1.00 45.22 N ATOM 1759 CA ALA A 114 13.004 35.749 -13.819 1.00 43.15 C ATOM 1760 C ALA A 114 12.635 35.120 -15.159 1.00 25.03 C ATOM 1761 O ALA A 114 12.420 33.911 -15.250 1.00 23.22 O ATOM 1762 CB ALA A 114 11.773 36.353 -13.161 1.00 32.33 C ATOM 0 H ALA A 114 13.762 37.699 -13.685 1.00 45.22 H new ATOM 0 HA ALA A 114 13.399 34.963 -13.175 1.00 43.15 H new ATOM 0 HB1 ALA A 114 11.009 35.585 -13.045 1.00 32.33 H new ATOM 0 HB2 ALA A 114 12.041 36.749 -12.182 1.00 32.33 H new ATOM 0 HB3 ALA A 114 11.385 37.159 -13.785 1.00 32.33 H new ATOM 1768 N HIS A 115 12.563 35.948 -16.196 1.00 62.33 N ATOM 1769 CA HIS A 115 12.220 35.472 -17.532 1.00 32.44 C ATOM 1770 C HIS A 115 13.132 34.323 -17.950 1.00 63.40 C ATOM 1771 O HIS A 115 12.662 33.249 -18.325 1.00 41.13 O ATOM 1772 CB HIS A 115 12.320 36.613 -18.544 1.00 62.33 C ATOM 1773 CG HIS A 115 11.064 36.826 -19.332 1.00 45.32 C ATOM 1774 ND1 HIS A 115 11.002 36.682 -20.702 1.00 50.22 N ATOM 1775 CD2 HIS A 115 9.818 37.174 -18.935 1.00 22.23 C ATOM 1776 CE1 HIS A 115 9.772 36.933 -21.113 1.00 51.44 C ATOM 1777 NE2 HIS A 115 9.034 37.234 -20.060 1.00 73.22 N ATOM 0 H HIS A 115 12.737 36.951 -16.137 1.00 62.33 H new ATOM 0 HA HIS A 115 11.193 35.107 -17.508 1.00 32.44 H new ATOM 0 HB2 HIS A 115 12.569 37.534 -18.017 1.00 62.33 H new ATOM 0 HB3 HIS A 115 13.140 36.407 -19.232 1.00 62.33 H new ATOM 0 HD2 HIS A 115 9.500 37.368 -17.921 1.00 22.23 H new ATOM 0 HE1 HIS A 115 9.428 36.898 -22.136 1.00 51.44 H new ATOM 0 HE2 HIS A 115 8.042 37.472 -20.080 1.00 73.22 H new ATOM 1785 N ALA A 116 14.439 34.557 -17.883 1.00 72.43 N ATOM 1786 CA ALA A 116 15.417 33.541 -18.254 1.00 14.11 C ATOM 1787 C ALA A 116 15.302 32.315 -17.354 1.00 65.15 C ATOM 1788 O ALA A 116 15.517 31.186 -17.797 1.00 21.51 O ATOM 1789 CB ALA A 116 16.824 34.115 -18.190 1.00 41.53 C ATOM 0 H ALA A 116 14.845 35.441 -17.575 1.00 72.43 H new ATOM 0 HA ALA A 116 15.210 33.229 -19.278 1.00 14.11 H new ATOM 0 HB1 ALA A 116 17.544 33.346 -18.469 1.00 41.53 H new ATOM 0 HB2 ALA A 116 16.906 34.956 -18.879 1.00 41.53 H new ATOM 0 HB3 ALA A 116 17.032 34.456 -17.176 1.00 41.53 H new ATOM 1795 N LEU A 117 14.964 32.544 -16.090 1.00 62.24 N ATOM 1796 CA LEU A 117 14.822 31.457 -15.128 1.00 1.14 C ATOM 1797 C LEU A 117 13.780 30.447 -15.597 1.00 31.14 C ATOM 1798 O LEU A 117 14.074 29.261 -15.746 1.00 54.32 O ATOM 1799 CB LEU A 117 14.431 32.012 -13.757 1.00 32.22 C ATOM 1800 CG LEU A 117 14.958 31.242 -12.546 1.00 21.43 C ATOM 1801 CD1 LEU A 117 14.238 31.679 -11.280 1.00 12.52 C ATOM 1802 CD2 LEU A 117 14.803 29.743 -12.758 1.00 65.21 C ATOM 0 H LEU A 117 14.783 33.472 -15.708 1.00 62.24 H new ATOM 0 HA LEU A 117 15.783 30.948 -15.047 1.00 1.14 H new ATOM 0 HB2 LEU A 117 14.784 33.041 -13.690 1.00 32.22 H new ATOM 0 HB3 LEU A 117 13.343 32.044 -13.697 1.00 32.22 H new ATOM 0 HG LEU A 117 16.019 31.466 -12.432 1.00 21.43 H new ATOM 0 HD11 LEU A 117 14.627 31.120 -10.429 1.00 12.52 H new ATOM 0 HD12 LEU A 117 14.400 32.745 -11.119 1.00 12.52 H new ATOM 0 HD13 LEU A 117 13.170 31.486 -11.384 1.00 12.52 H new ATOM 0 HD21 LEU A 117 15.183 29.211 -11.886 1.00 65.21 H new ATOM 0 HD22 LEU A 117 13.749 29.502 -12.899 1.00 65.21 H new ATOM 0 HD23 LEU A 117 15.365 29.440 -13.641 1.00 65.21 H new ATOM 1814 N ALA A 118 12.562 30.926 -15.829 1.00 20.42 N ATOM 1815 CA ALA A 118 11.477 30.065 -16.285 1.00 43.40 C ATOM 1816 C ALA A 118 11.911 29.220 -17.478 1.00 5.41 C ATOM 1817 O ALA A 118 11.657 28.017 -17.525 1.00 35.14 O ATOM 1818 CB ALA A 118 10.257 30.900 -16.643 1.00 52.24 C ATOM 0 H ALA A 118 12.302 31.905 -15.709 1.00 20.42 H new ATOM 0 HA ALA A 118 11.215 29.389 -15.471 1.00 43.40 H new ATOM 0 HB1 ALA A 118 9.454 30.245 -16.982 1.00 52.24 H new ATOM 0 HB2 ALA A 118 9.926 31.455 -15.765 1.00 52.24 H new ATOM 0 HB3 ALA A 118 10.515 31.599 -17.439 1.00 52.24 H new ATOM 1824 N VAL A 119 12.568 29.858 -18.442 1.00 2.45 N ATOM 1825 CA VAL A 119 13.038 29.165 -19.635 1.00 2.01 C ATOM 1826 C VAL A 119 13.878 27.947 -19.268 1.00 22.13 C ATOM 1827 O VAL A 119 13.813 26.912 -19.931 1.00 51.15 O ATOM 1828 CB VAL A 119 13.871 30.097 -20.534 1.00 45.42 C ATOM 1829 CG1 VAL A 119 14.459 29.325 -21.705 1.00 61.14 C ATOM 1830 CG2 VAL A 119 13.024 31.262 -21.024 1.00 71.43 C ATOM 0 H VAL A 119 12.787 30.854 -18.419 1.00 2.45 H new ATOM 0 HA VAL A 119 12.153 28.841 -20.182 1.00 2.01 H new ATOM 0 HB VAL A 119 14.695 30.499 -19.945 1.00 45.42 H new ATOM 0 HG11 VAL A 119 15.044 30.000 -22.329 1.00 61.14 H new ATOM 0 HG12 VAL A 119 15.102 28.529 -21.330 1.00 61.14 H new ATOM 0 HG13 VAL A 119 13.653 28.892 -22.297 1.00 61.14 H new ATOM 0 HG21 VAL A 119 13.629 31.910 -21.658 1.00 71.43 H new ATOM 0 HG22 VAL A 119 12.178 30.881 -21.596 1.00 71.43 H new ATOM 0 HG23 VAL A 119 12.657 31.830 -20.169 1.00 71.43 H new ATOM 1840 N ASP A 120 14.666 28.077 -18.206 1.00 44.04 N ATOM 1841 CA ASP A 120 15.519 26.986 -17.749 1.00 21.01 C ATOM 1842 C ASP A 120 14.682 25.784 -17.324 1.00 30.42 C ATOM 1843 O ASP A 120 14.874 24.674 -17.821 1.00 10.42 O ATOM 1844 CB ASP A 120 16.396 27.450 -16.585 1.00 23.51 C ATOM 1845 CG ASP A 120 17.234 28.662 -16.939 1.00 4.42 C ATOM 1846 OD1 ASP A 120 17.641 28.780 -18.114 1.00 14.04 O ATOM 1847 OD2 ASP A 120 17.485 29.493 -16.041 1.00 12.54 O ATOM 0 H ASP A 120 14.732 28.927 -17.646 1.00 44.04 H new ATOM 0 HA ASP A 120 16.159 26.685 -18.579 1.00 21.01 H new ATOM 0 HB2 ASP A 120 15.764 27.687 -15.729 1.00 23.51 H new ATOM 0 HB3 ASP A 120 17.052 26.635 -16.281 1.00 23.51 H new ATOM 1852 N ALA A 121 13.754 26.012 -16.400 1.00 52.05 N ATOM 1853 CA ALA A 121 12.887 24.948 -15.909 1.00 50.12 C ATOM 1854 C ALA A 121 12.240 24.190 -17.063 1.00 63.14 C ATOM 1855 O ALA A 121 11.991 22.988 -16.968 1.00 61.14 O ATOM 1856 CB ALA A 121 11.820 25.520 -14.987 1.00 61.03 C ATOM 0 H ALA A 121 13.584 26.924 -15.977 1.00 52.05 H new ATOM 0 HA ALA A 121 13.500 24.245 -15.345 1.00 50.12 H new ATOM 0 HB1 ALA A 121 11.180 24.714 -14.628 1.00 61.03 H new ATOM 0 HB2 ALA A 121 12.297 26.010 -14.138 1.00 61.03 H new ATOM 0 HB3 ALA A 121 11.218 26.246 -15.534 1.00 61.03 H new ATOM 1862 N LYS A 122 11.970 24.900 -18.154 1.00 33.34 N ATOM 1863 CA LYS A 122 11.352 24.294 -19.328 1.00 1.35 C ATOM 1864 C LYS A 122 12.370 23.480 -20.119 1.00 44.01 C ATOM 1865 O LYS A 122 12.078 22.373 -20.570 1.00 5.23 O ATOM 1866 CB LYS A 122 10.741 25.375 -20.222 1.00 41.13 C ATOM 1867 CG LYS A 122 10.323 24.867 -21.591 1.00 64.23 C ATOM 1868 CD LYS A 122 9.374 23.686 -21.482 1.00 35.13 C ATOM 1869 CE LYS A 122 8.544 23.519 -22.745 1.00 54.14 C ATOM 1870 NZ LYS A 122 9.391 23.519 -23.970 1.00 4.22 N ATOM 0 H LYS A 122 12.170 25.896 -18.249 1.00 33.34 H new ATOM 0 HA LYS A 122 10.563 23.623 -18.988 1.00 1.35 H new ATOM 0 HB2 LYS A 122 9.872 25.801 -19.721 1.00 41.13 H new ATOM 0 HB3 LYS A 122 11.463 26.182 -20.348 1.00 41.13 H new ATOM 0 HG2 LYS A 122 9.842 25.671 -22.147 1.00 64.23 H new ATOM 0 HG3 LYS A 122 11.207 24.573 -22.157 1.00 64.23 H new ATOM 0 HD2 LYS A 122 9.944 22.776 -21.297 1.00 35.13 H new ATOM 0 HD3 LYS A 122 8.713 23.827 -20.627 1.00 35.13 H new ATOM 0 HE2 LYS A 122 7.984 22.585 -22.691 1.00 54.14 H new ATOM 0 HE3 LYS A 122 7.813 24.325 -22.809 1.00 54.14 H new ATOM 0 HZ1 LYS A 122 9.072 24.272 -24.612 1.00 4.22 H new ATOM 0 HZ2 LYS A 122 10.383 23.686 -23.706 1.00 4.22 H new ATOM 0 HZ3 LYS A 122 9.310 22.599 -24.448 1.00 4.22 H new ATOM 1884 N ASN A 123 13.567 24.035 -20.283 1.00 12.40 N ATOM 1885 CA ASN A 123 14.629 23.360 -21.019 1.00 73.55 C ATOM 1886 C ASN A 123 14.968 22.018 -20.377 1.00 11.13 C ATOM 1887 O ASN A 123 15.472 21.110 -21.038 1.00 65.14 O ATOM 1888 CB ASN A 123 15.878 24.241 -21.077 1.00 63.51 C ATOM 1889 CG ASN A 123 16.644 24.074 -22.376 1.00 13.13 C ATOM 1890 OD1 ASN A 123 16.052 23.878 -23.437 1.00 72.22 O ATOM 1891 ND2 ASN A 123 17.967 24.152 -22.296 1.00 70.34 N ATOM 0 H ASN A 123 13.825 24.951 -19.916 1.00 12.40 H new ATOM 0 HA ASN A 123 14.274 23.178 -22.033 1.00 73.55 H new ATOM 0 HB2 ASN A 123 15.588 25.285 -20.961 1.00 63.51 H new ATOM 0 HB3 ASN A 123 16.531 23.996 -20.239 1.00 63.51 H new ATOM 0 HD21 ASN A 123 18.536 24.048 -23.136 1.00 70.34 H new ATOM 0 HD22 ASN A 123 18.415 24.316 -21.394 1.00 70.34 H new ATOM 1898 N LEU A 124 14.687 21.900 -19.084 1.00 0.23 N ATOM 1899 CA LEU A 124 14.961 20.669 -18.350 1.00 43.33 C ATOM 1900 C LEU A 124 14.258 19.481 -18.999 1.00 22.04 C ATOM 1901 O LEU A 124 14.903 18.526 -19.435 1.00 3.54 O ATOM 1902 CB LEU A 124 14.513 20.809 -16.894 1.00 43.24 C ATOM 1903 CG LEU A 124 15.254 21.856 -16.062 1.00 25.23 C ATOM 1904 CD1 LEU A 124 14.806 21.798 -14.610 1.00 11.23 C ATOM 1905 CD2 LEU A 124 16.759 21.652 -16.166 1.00 10.25 C ATOM 0 H LEU A 124 14.269 22.642 -18.522 1.00 0.23 H new ATOM 0 HA LEU A 124 16.036 20.491 -18.377 1.00 43.33 H new ATOM 0 HB2 LEU A 124 13.450 21.051 -16.883 1.00 43.24 H new ATOM 0 HB3 LEU A 124 14.624 19.841 -16.406 1.00 43.24 H new ATOM 0 HG LEU A 124 15.013 22.843 -16.456 1.00 25.23 H new ATOM 0 HD11 LEU A 124 15.344 22.550 -14.033 1.00 11.23 H new ATOM 0 HD12 LEU A 124 13.735 21.993 -14.552 1.00 11.23 H new ATOM 0 HD13 LEU A 124 15.017 20.809 -14.203 1.00 11.23 H new ATOM 0 HD21 LEU A 124 17.271 22.406 -15.568 1.00 10.25 H new ATOM 0 HD22 LEU A 124 17.018 20.659 -15.798 1.00 10.25 H new ATOM 0 HD23 LEU A 124 17.068 21.744 -17.207 1.00 10.25 H new ATOM 1917 N LEU A 125 12.933 19.546 -19.061 1.00 11.51 N ATOM 1918 CA LEU A 125 12.141 18.477 -19.659 1.00 23.24 C ATOM 1919 C LEU A 125 12.124 18.597 -21.179 1.00 74.21 C ATOM 1920 O LEU A 125 12.094 17.593 -21.891 1.00 31.43 O ATOM 1921 CB LEU A 125 10.711 18.510 -19.116 1.00 63.23 C ATOM 1922 CG LEU A 125 10.229 17.238 -18.417 1.00 41.21 C ATOM 1923 CD1 LEU A 125 9.921 17.517 -16.954 1.00 43.53 C ATOM 1924 CD2 LEU A 125 9.005 16.673 -19.123 1.00 64.21 C ATOM 0 H LEU A 125 12.384 20.328 -18.704 1.00 11.51 H new ATOM 0 HA LEU A 125 12.601 17.525 -19.394 1.00 23.24 H new ATOM 0 HB2 LEU A 125 10.629 19.340 -18.414 1.00 63.23 H new ATOM 0 HB3 LEU A 125 10.034 18.725 -19.943 1.00 63.23 H new ATOM 0 HG LEU A 125 11.026 16.496 -18.464 1.00 41.21 H new ATOM 0 HD11 LEU A 125 9.579 16.600 -16.473 1.00 43.53 H new ATOM 0 HD12 LEU A 125 10.821 17.875 -16.455 1.00 43.53 H new ATOM 0 HD13 LEU A 125 9.141 18.276 -16.885 1.00 43.53 H new ATOM 0 HD21 LEU A 125 8.676 15.768 -18.612 1.00 64.21 H new ATOM 0 HD22 LEU A 125 8.203 17.411 -19.107 1.00 64.21 H new ATOM 0 HD23 LEU A 125 9.258 16.435 -20.156 1.00 64.21 H new ATOM 1936 N ASP A 126 12.144 19.831 -21.670 1.00 62.00 N ATOM 1937 CA ASP A 126 12.134 20.083 -23.106 1.00 71.34 C ATOM 1938 C ASP A 126 13.315 19.398 -23.787 1.00 23.04 C ATOM 1939 O ASP A 126 13.165 18.780 -24.841 1.00 4.21 O ATOM 1940 CB ASP A 126 12.172 21.587 -23.383 1.00 20.45 C ATOM 1941 CG ASP A 126 11.919 21.914 -24.841 1.00 42.10 C ATOM 1942 OD1 ASP A 126 11.356 21.056 -25.553 1.00 51.31 O ATOM 1943 OD2 ASP A 126 12.284 23.028 -25.270 1.00 53.52 O ATOM 0 H ASP A 126 12.167 20.673 -21.094 1.00 62.00 H new ATOM 0 HA ASP A 126 11.212 19.670 -23.515 1.00 71.34 H new ATOM 0 HB2 ASP A 126 11.424 22.086 -22.767 1.00 20.45 H new ATOM 0 HB3 ASP A 126 13.144 21.983 -23.088 1.00 20.45 H new ATOM 1948 N VAL A 127 14.491 19.513 -23.177 1.00 32.14 N ATOM 1949 CA VAL A 127 15.698 18.905 -23.723 1.00 2.21 C ATOM 1950 C VAL A 127 15.682 17.392 -23.542 1.00 20.45 C ATOM 1951 O VAL A 127 15.726 16.639 -24.515 1.00 44.23 O ATOM 1952 CB VAL A 127 16.965 19.477 -23.059 1.00 15.35 C ATOM 1953 CG1 VAL A 127 18.195 18.695 -23.491 1.00 71.42 C ATOM 1954 CG2 VAL A 127 17.118 20.954 -23.389 1.00 44.15 C ATOM 0 H VAL A 127 14.633 20.022 -22.304 1.00 32.14 H new ATOM 0 HA VAL A 127 15.717 19.140 -24.787 1.00 2.21 H new ATOM 0 HB VAL A 127 16.864 19.378 -21.978 1.00 15.35 H new ATOM 0 HG11 VAL A 127 19.080 19.114 -23.012 1.00 71.42 H new ATOM 0 HG12 VAL A 127 18.084 17.651 -23.198 1.00 71.42 H new ATOM 0 HG13 VAL A 127 18.305 18.758 -24.574 1.00 71.42 H new ATOM 0 HG21 VAL A 127 18.018 21.342 -22.912 1.00 44.15 H new ATOM 0 HG22 VAL A 127 17.197 21.079 -24.469 1.00 44.15 H new ATOM 0 HG23 VAL A 127 16.249 21.501 -23.023 1.00 44.15 H new ATOM 1964 N ILE A 128 15.618 16.952 -22.289 1.00 53.03 N ATOM 1965 CA ILE A 128 15.594 15.528 -21.980 1.00 70.34 C ATOM 1966 C ILE A 128 14.500 14.813 -22.766 1.00 70.03 C ATOM 1967 O ILE A 128 14.600 13.618 -23.043 1.00 63.42 O ATOM 1968 CB ILE A 128 15.374 15.281 -20.476 1.00 41.51 C ATOM 1969 CG1 ILE A 128 15.877 13.890 -20.086 1.00 50.00 C ATOM 1970 CG2 ILE A 128 13.902 15.437 -20.124 1.00 24.25 C ATOM 1971 CD1 ILE A 128 16.383 13.807 -18.663 1.00 11.41 C ATOM 0 H ILE A 128 15.582 17.562 -21.472 1.00 53.03 H new ATOM 0 HA ILE A 128 16.566 15.127 -22.267 1.00 70.34 H new ATOM 0 HB ILE A 128 15.942 16.022 -19.914 1.00 41.51 H new ATOM 0 HG12 ILE A 128 15.069 13.170 -20.218 1.00 50.00 H new ATOM 0 HG13 ILE A 128 16.678 13.599 -20.765 1.00 50.00 H new ATOM 0 HG21 ILE A 128 13.762 15.259 -19.058 1.00 24.25 H new ATOM 0 HG22 ILE A 128 13.574 16.447 -20.370 1.00 24.25 H new ATOM 0 HG23 ILE A 128 13.314 14.716 -20.692 1.00 24.25 H new ATOM 0 HD11 ILE A 128 16.723 12.792 -18.456 1.00 11.41 H new ATOM 0 HD12 ILE A 128 17.212 14.502 -18.531 1.00 11.41 H new ATOM 0 HD13 ILE A 128 15.578 14.067 -17.975 1.00 11.41 H new ATOM 1983 N ASP A 129 13.457 15.553 -23.124 1.00 53.34 N ATOM 1984 CA ASP A 129 12.344 14.991 -23.882 1.00 3.53 C ATOM 1985 C ASP A 129 12.842 14.302 -25.148 1.00 63.01 C ATOM 1986 O ASP A 129 12.341 13.244 -25.527 1.00 63.22 O ATOM 1987 CB ASP A 129 11.341 16.087 -24.244 1.00 12.43 C ATOM 1988 CG ASP A 129 10.112 16.063 -23.356 1.00 40.50 C ATOM 1989 OD1 ASP A 129 10.222 15.595 -22.204 1.00 20.11 O ATOM 1990 OD2 ASP A 129 9.040 16.513 -23.814 1.00 21.53 O ATOM 0 H ASP A 129 13.358 16.544 -22.902 1.00 53.34 H new ATOM 0 HA ASP A 129 11.849 14.248 -23.257 1.00 3.53 H new ATOM 0 HB2 ASP A 129 11.825 17.060 -24.163 1.00 12.43 H new ATOM 0 HB3 ASP A 129 11.037 15.968 -25.284 1.00 12.43 H new ATOM 1995 N GLN A 130 13.830 14.910 -25.797 1.00 72.15 N ATOM 1996 CA GLN A 130 14.394 14.355 -27.022 1.00 73.22 C ATOM 1997 C GLN A 130 14.952 12.956 -26.779 1.00 52.45 C ATOM 1998 O GLN A 130 15.012 12.134 -27.693 1.00 54.21 O ATOM 1999 CB GLN A 130 15.494 15.269 -27.562 1.00 43.53 C ATOM 2000 CG GLN A 130 15.051 16.127 -28.737 1.00 20.13 C ATOM 2001 CD GLN A 130 16.208 16.546 -29.623 1.00 35.12 C ATOM 2002 OE1 GLN A 130 16.339 16.079 -30.755 1.00 35.25 O ATOM 2003 NE2 GLN A 130 17.054 17.432 -29.112 1.00 25.23 N ATOM 0 H GLN A 130 14.256 15.786 -25.495 1.00 72.15 H new ATOM 0 HA GLN A 130 13.595 14.285 -27.761 1.00 73.22 H new ATOM 0 HB2 GLN A 130 15.841 15.919 -26.759 1.00 43.53 H new ATOM 0 HB3 GLN A 130 16.344 14.659 -27.868 1.00 43.53 H new ATOM 0 HG2 GLN A 130 14.324 15.574 -29.332 1.00 20.13 H new ATOM 0 HG3 GLN A 130 14.545 17.017 -28.362 1.00 20.13 H new ATOM 0 HE21 GLN A 130 16.907 17.793 -28.169 1.00 25.23 H new ATOM 0 HE22 GLN A 130 17.851 17.752 -29.662 1.00 25.23 H new ATOM 2012 N ALA A 131 15.360 12.694 -25.542 1.00 51.12 N ATOM 2013 CA ALA A 131 15.912 11.395 -25.179 1.00 73.31 C ATOM 2014 C ALA A 131 14.815 10.338 -25.089 1.00 5.50 C ATOM 2015 O ALA A 131 14.870 9.315 -25.770 1.00 74.53 O ATOM 2016 CB ALA A 131 16.664 11.491 -23.860 1.00 64.23 C ATOM 0 H ALA A 131 15.319 13.364 -24.774 1.00 51.12 H new ATOM 0 HA ALA A 131 16.609 11.093 -25.961 1.00 73.31 H new ATOM 0 HB1 ALA A 131 17.071 10.513 -23.601 1.00 64.23 H new ATOM 0 HB2 ALA A 131 17.478 12.209 -23.957 1.00 64.23 H new ATOM 0 HB3 ALA A 131 15.982 11.819 -23.076 1.00 64.23 H new ATOM 2022 N ARG A 132 13.822 10.594 -24.244 1.00 22.13 N ATOM 2023 CA ARG A 132 12.714 9.664 -24.063 1.00 63.44 C ATOM 2024 C ARG A 132 12.019 9.383 -25.392 1.00 74.51 C ATOM 2025 O ARG A 132 11.674 8.239 -25.695 1.00 43.43 O ATOM 2026 CB ARG A 132 11.708 10.225 -23.057 1.00 72.13 C ATOM 2027 CG ARG A 132 11.245 11.636 -23.381 1.00 43.11 C ATOM 2028 CD ARG A 132 10.295 12.168 -22.320 1.00 2.33 C ATOM 2029 NE ARG A 132 8.896 11.951 -22.679 1.00 4.22 N ATOM 2030 CZ ARG A 132 8.283 12.593 -23.667 1.00 1.42 C ATOM 2031 NH1 ARG A 132 8.942 13.488 -24.390 1.00 63.45 N ATOM 2032 NH2 ARG A 132 7.008 12.341 -23.933 1.00 11.00 N ATOM 0 H ARG A 132 13.762 11.438 -23.674 1.00 22.13 H new ATOM 0 HA ARG A 132 13.117 8.727 -23.678 1.00 63.44 H new ATOM 0 HB2 ARG A 132 10.840 9.567 -23.018 1.00 72.13 H new ATOM 0 HB3 ARG A 132 12.158 10.218 -22.064 1.00 72.13 H new ATOM 0 HG2 ARG A 132 12.110 12.295 -23.460 1.00 43.11 H new ATOM 0 HG3 ARG A 132 10.749 11.643 -24.352 1.00 43.11 H new ATOM 0 HD2 ARG A 132 10.505 11.680 -21.368 1.00 2.33 H new ATOM 0 HD3 ARG A 132 10.471 13.234 -22.177 1.00 2.33 H new ATOM 0 HE ARG A 132 8.360 11.269 -22.142 1.00 4.22 H new ATOM 0 HH11 ARG A 132 9.922 13.685 -24.188 1.00 63.45 H new ATOM 0 HH12 ARG A 132 8.469 13.980 -25.148 1.00 63.45 H new ATOM 0 HH21 ARG A 132 6.498 11.654 -23.379 1.00 11.00 H new ATOM 0 HH22 ARG A 132 6.538 12.835 -24.692 1.00 11.00 H new ATOM 2046 N LEU A 133 11.814 10.432 -26.181 1.00 25.05 N ATOM 2047 CA LEU A 133 11.159 10.299 -27.477 1.00 64.12 C ATOM 2048 C LEU A 133 12.027 9.502 -28.446 1.00 74.32 C ATOM 2049 O LEU A 133 11.529 8.658 -29.192 1.00 21.21 O ATOM 2050 CB LEU A 133 10.858 11.680 -28.062 1.00 73.44 C ATOM 2051 CG LEU A 133 9.535 12.316 -27.634 1.00 73.43 C ATOM 2052 CD1 LEU A 133 9.439 13.744 -28.147 1.00 12.34 C ATOM 2053 CD2 LEU A 133 8.359 11.488 -28.133 1.00 41.23 C ATOM 0 H LEU A 133 12.092 11.385 -25.945 1.00 25.05 H new ATOM 0 HA LEU A 133 10.222 9.761 -27.330 1.00 64.12 H new ATOM 0 HB2 LEU A 133 11.669 12.354 -27.785 1.00 73.44 H new ATOM 0 HB3 LEU A 133 10.866 11.602 -29.149 1.00 73.44 H new ATOM 0 HG LEU A 133 9.501 12.340 -26.545 1.00 73.43 H new ATOM 0 HD11 LEU A 133 8.491 14.181 -27.833 1.00 12.34 H new ATOM 0 HD12 LEU A 133 10.262 14.333 -27.741 1.00 12.34 H new ATOM 0 HD13 LEU A 133 9.495 13.744 -29.236 1.00 12.34 H new ATOM 0 HD21 LEU A 133 7.426 11.955 -27.819 1.00 41.23 H new ATOM 0 HD22 LEU A 133 8.389 11.432 -29.221 1.00 41.23 H new ATOM 0 HD23 LEU A 133 8.419 10.483 -27.716 1.00 41.23 H new ATOM 2065 N LYS A 134 13.327 9.773 -28.429 1.00 1.32 N ATOM 2066 CA LYS A 134 14.266 9.080 -29.303 1.00 31.23 C ATOM 2067 C LYS A 134 14.192 7.571 -29.093 1.00 33.23 C ATOM 2068 O LYS A 134 14.460 6.794 -30.008 1.00 75.44 O ATOM 2069 CB LYS A 134 15.692 9.572 -29.046 1.00 61.32 C ATOM 2070 CG LYS A 134 16.151 10.643 -30.021 1.00 32.43 C ATOM 2071 CD LYS A 134 17.628 10.954 -29.852 1.00 44.12 C ATOM 2072 CE LYS A 134 18.495 9.760 -30.221 1.00 23.24 C ATOM 2073 NZ LYS A 134 19.485 10.099 -31.281 1.00 31.35 N ATOM 0 H LYS A 134 13.755 10.469 -27.818 1.00 1.32 H new ATOM 0 HA LYS A 134 13.993 9.300 -30.335 1.00 31.23 H new ATOM 0 HB2 LYS A 134 15.754 9.965 -28.031 1.00 61.32 H new ATOM 0 HB3 LYS A 134 16.375 8.725 -29.102 1.00 61.32 H new ATOM 0 HG2 LYS A 134 15.962 10.312 -31.042 1.00 32.43 H new ATOM 0 HG3 LYS A 134 15.567 11.551 -29.867 1.00 32.43 H new ATOM 0 HD2 LYS A 134 17.895 11.806 -30.477 1.00 44.12 H new ATOM 0 HD3 LYS A 134 17.824 11.242 -28.819 1.00 44.12 H new ATOM 0 HE2 LYS A 134 19.020 9.405 -29.334 1.00 23.24 H new ATOM 0 HE3 LYS A 134 17.861 8.943 -30.565 1.00 23.24 H new ATOM 0 HZ1 LYS A 134 20.056 9.259 -31.504 1.00 31.35 H new ATOM 0 HZ2 LYS A 134 18.984 10.414 -32.136 1.00 31.35 H new ATOM 0 HZ3 LYS A 134 20.107 10.861 -30.944 1.00 31.35 H new ATOM 2087 N MET A 135 13.825 7.164 -27.882 1.00 24.23 N ATOM 2088 CA MET A 135 13.714 5.747 -27.553 1.00 54.44 C ATOM 2089 C MET A 135 12.429 5.156 -28.126 1.00 43.32 C ATOM 2090 O MET A 135 12.445 4.085 -28.733 1.00 21.11 O ATOM 2091 CB MET A 135 13.748 5.549 -26.037 1.00 11.22 C ATOM 2092 CG MET A 135 13.715 4.090 -25.614 1.00 20.43 C ATOM 2093 SD MET A 135 12.711 3.816 -24.142 1.00 35.54 S ATOM 2094 CE MET A 135 13.543 4.876 -22.962 1.00 33.42 C ATOM 0 H MET A 135 13.600 7.795 -27.113 1.00 24.23 H new ATOM 0 HA MET A 135 14.563 5.228 -27.999 1.00 54.44 H new ATOM 0 HB2 MET A 135 14.650 6.014 -25.638 1.00 11.22 H new ATOM 0 HB3 MET A 135 12.899 6.067 -25.592 1.00 11.22 H new ATOM 0 HG2 MET A 135 13.324 3.487 -26.433 1.00 20.43 H new ATOM 0 HG3 MET A 135 14.732 3.748 -25.424 1.00 20.43 H new ATOM 0 HE1 MET A 135 13.129 4.709 -21.968 1.00 33.42 H new ATOM 0 HE2 MET A 135 14.608 4.646 -22.955 1.00 33.42 H new ATOM 0 HE3 MET A 135 13.399 5.919 -23.245 1.00 33.42 H new ATOM 2104 N ILE A 136 11.320 5.861 -27.929 1.00 71.43 N ATOM 2105 CA ILE A 136 10.028 5.405 -28.427 1.00 60.03 C ATOM 2106 C ILE A 136 10.101 5.062 -29.911 1.00 71.33 C ATOM 2107 O ILE A 136 9.799 3.938 -30.315 1.00 4.54 O ATOM 2108 CB ILE A 136 8.935 6.468 -28.211 1.00 34.22 C ATOM 2109 CG1 ILE A 136 8.811 6.808 -26.724 1.00 52.12 C ATOM 2110 CG2 ILE A 136 7.603 5.978 -28.760 1.00 63.42 C ATOM 2111 CD1 ILE A 136 8.351 5.645 -25.874 1.00 75.43 C ATOM 0 H ILE A 136 11.290 6.749 -27.429 1.00 71.43 H new ATOM 0 HA ILE A 136 9.770 4.510 -27.862 1.00 60.03 H new ATOM 0 HB ILE A 136 9.217 7.373 -28.750 1.00 34.22 H new ATOM 0 HG12 ILE A 136 9.777 7.156 -26.357 1.00 52.12 H new ATOM 0 HG13 ILE A 136 8.109 7.634 -26.606 1.00 52.12 H new ATOM 0 HG21 ILE A 136 6.841 6.740 -28.600 1.00 63.42 H new ATOM 0 HG22 ILE A 136 7.700 5.781 -29.828 1.00 63.42 H new ATOM 0 HG23 ILE A 136 7.313 5.061 -28.246 1.00 63.42 H new ATOM 0 HD11 ILE A 136 8.286 5.959 -24.832 1.00 75.43 H new ATOM 0 HD12 ILE A 136 7.371 5.311 -26.214 1.00 75.43 H new ATOM 0 HD13 ILE A 136 9.064 4.825 -25.962 1.00 75.43 H new ATOM 2123 N SER A 137 10.505 6.037 -30.719 1.00 72.45 N ATOM 2124 CA SER A 137 10.616 5.839 -32.160 1.00 31.31 C ATOM 2125 C SER A 137 11.856 5.018 -32.501 1.00 74.44 C ATOM 2126 O SER A 137 12.827 5.540 -33.048 1.00 30.24 O ATOM 2127 CB SER A 137 10.670 7.188 -32.879 1.00 10.12 C ATOM 2128 OG SER A 137 9.402 7.820 -32.873 1.00 74.15 O ATOM 0 H SER A 137 10.761 6.972 -30.401 1.00 72.45 H new ATOM 0 HA SER A 137 9.735 5.292 -32.496 1.00 31.31 H new ATOM 0 HB2 SER A 137 11.403 7.833 -32.395 1.00 10.12 H new ATOM 0 HB3 SER A 137 11.003 7.043 -33.907 1.00 10.12 H new ATOM 0 HG SER A 137 9.463 8.681 -33.337 1.00 74.15 H new ATOM 2228 N ALA A 170 24.195 20.999 -0.594 1.00 41.15 N ATOM 2229 CA ALA A 170 23.288 21.911 -1.279 1.00 54.42 C ATOM 2230 C ALA A 170 22.057 22.203 -0.428 1.00 14.03 C ATOM 2231 O ALA A 170 21.579 23.337 -0.375 1.00 73.14 O ATOM 2232 CB ALA A 170 22.876 21.335 -2.626 1.00 31.44 C ATOM 0 HA ALA A 170 23.815 22.851 -1.444 1.00 54.42 H new ATOM 0 HB1 ALA A 170 22.199 22.027 -3.126 1.00 31.44 H new ATOM 0 HB2 ALA A 170 23.762 21.184 -3.243 1.00 31.44 H new ATOM 0 HB3 ALA A 170 22.372 20.380 -2.475 1.00 31.44 H new ATOM 2238 N THR A 171 21.546 21.172 0.239 1.00 52.23 N ATOM 2239 CA THR A 171 20.369 21.317 1.086 1.00 2.53 C ATOM 2240 C THR A 171 20.587 22.387 2.151 1.00 71.23 C ATOM 2241 O THR A 171 19.635 23.009 2.623 1.00 62.13 O ATOM 2242 CB THR A 171 20.006 19.989 1.776 1.00 23.12 C ATOM 2243 OG1 THR A 171 20.766 18.917 1.207 1.00 45.55 O ATOM 2244 CG2 THR A 171 18.521 19.694 1.635 1.00 14.24 C ATOM 0 H THR A 171 21.930 20.227 0.208 1.00 52.23 H new ATOM 0 HA THR A 171 19.547 21.616 0.436 1.00 2.53 H new ATOM 0 HB THR A 171 20.243 20.080 2.836 1.00 23.12 H new ATOM 0 HG1 THR A 171 20.530 18.077 1.653 1.00 45.55 H new ATOM 0 HG21 THR A 171 18.289 18.751 2.130 1.00 14.24 H new ATOM 0 HG22 THR A 171 17.945 20.497 2.095 1.00 14.24 H new ATOM 0 HG23 THR A 171 18.263 19.622 0.578 1.00 14.24 H new ATOM 2252 N ARG A 172 21.845 22.596 2.524 1.00 62.01 N ATOM 2253 CA ARG A 172 22.187 23.591 3.534 1.00 63.55 C ATOM 2254 C ARG A 172 21.655 24.966 3.143 1.00 2.55 C ATOM 2255 O ARG A 172 20.894 25.582 3.889 1.00 33.40 O ATOM 2256 CB ARG A 172 23.704 23.654 3.725 1.00 72.35 C ATOM 2257 CG ARG A 172 24.125 24.010 5.141 1.00 50.33 C ATOM 2258 CD ARG A 172 25.119 23.003 5.697 1.00 72.52 C ATOM 2259 NE ARG A 172 25.949 23.578 6.752 1.00 62.54 N ATOM 2260 CZ ARG A 172 25.508 23.830 7.979 1.00 51.33 C ATOM 2261 NH1 ARG A 172 24.251 23.560 8.304 1.00 63.33 N ATOM 2262 NH2 ARG A 172 26.324 24.354 8.884 1.00 44.31 N ATOM 0 H ARG A 172 22.644 22.090 2.142 1.00 62.01 H new ATOM 0 HA ARG A 172 21.722 23.294 4.474 1.00 63.55 H new ATOM 0 HB2 ARG A 172 24.136 22.689 3.458 1.00 72.35 H new ATOM 0 HB3 ARG A 172 24.118 24.390 3.036 1.00 72.35 H new ATOM 0 HG2 ARG A 172 24.570 25.005 5.150 1.00 50.33 H new ATOM 0 HG3 ARG A 172 23.246 24.048 5.784 1.00 50.33 H new ATOM 0 HD2 ARG A 172 24.580 22.141 6.089 1.00 72.52 H new ATOM 0 HD3 ARG A 172 25.757 22.641 4.891 1.00 72.52 H new ATOM 0 HE ARG A 172 26.921 23.798 6.534 1.00 62.54 H new ATOM 0 HH11 ARG A 172 23.620 23.158 7.611 1.00 63.33 H new ATOM 0 HH12 ARG A 172 23.915 23.755 9.247 1.00 63.33 H new ATOM 0 HH21 ARG A 172 27.291 24.564 8.638 1.00 44.31 H new ATOM 0 HH22 ARG A 172 25.984 24.547 9.826 1.00 44.31 H new ATOM 2276 N GLU A 173 22.063 25.442 1.971 1.00 55.31 N ATOM 2277 CA GLU A 173 21.627 26.746 1.483 1.00 24.15 C ATOM 2278 C GLU A 173 20.109 26.793 1.337 1.00 2.13 C ATOM 2279 O GLU A 173 19.464 27.758 1.750 1.00 31.43 O ATOM 2280 CB GLU A 173 22.290 27.060 0.141 1.00 40.24 C ATOM 2281 CG GLU A 173 23.678 27.664 0.273 1.00 12.42 C ATOM 2282 CD GLU A 173 23.829 28.956 -0.507 1.00 32.11 C ATOM 2283 OE1 GLU A 173 23.159 29.947 -0.149 1.00 44.44 O ATOM 2284 OE2 GLU A 173 24.617 28.974 -1.475 1.00 43.43 O ATOM 0 H GLU A 173 22.694 24.945 1.342 1.00 55.31 H new ATOM 0 HA GLU A 173 21.927 27.498 2.213 1.00 24.15 H new ATOM 0 HB2 GLU A 173 22.356 26.143 -0.445 1.00 40.24 H new ATOM 0 HB3 GLU A 173 21.655 27.749 -0.416 1.00 40.24 H new ATOM 0 HG2 GLU A 173 23.889 27.853 1.326 1.00 12.42 H new ATOM 0 HG3 GLU A 173 24.418 26.944 -0.077 1.00 12.42 H new ATOM 2291 N LEU A 174 19.545 25.745 0.747 1.00 51.53 N ATOM 2292 CA LEU A 174 18.102 25.666 0.545 1.00 43.23 C ATOM 2293 C LEU A 174 17.359 25.802 1.870 1.00 73.44 C ATOM 2294 O LEU A 174 16.399 26.565 1.979 1.00 72.31 O ATOM 2295 CB LEU A 174 17.734 24.342 -0.127 1.00 54.31 C ATOM 2296 CG LEU A 174 18.325 24.108 -1.518 1.00 34.22 C ATOM 2297 CD1 LEU A 174 18.196 22.645 -1.913 1.00 34.01 C ATOM 2298 CD2 LEU A 174 17.644 25.001 -2.544 1.00 53.52 C ATOM 0 H LEU A 174 20.064 24.938 0.400 1.00 51.53 H new ATOM 0 HA LEU A 174 17.804 26.490 -0.103 1.00 43.23 H new ATOM 0 HB2 LEU A 174 18.052 23.527 0.523 1.00 54.31 H new ATOM 0 HB3 LEU A 174 16.648 24.285 -0.201 1.00 54.31 H new ATOM 0 HG LEU A 174 19.384 24.364 -1.490 1.00 34.22 H new ATOM 0 HD11 LEU A 174 18.622 22.497 -2.905 1.00 34.01 H new ATOM 0 HD12 LEU A 174 18.730 22.025 -1.193 1.00 34.01 H new ATOM 0 HD13 LEU A 174 17.143 22.363 -1.924 1.00 34.01 H new ATOM 0 HD21 LEU A 174 18.077 24.821 -3.528 1.00 53.52 H new ATOM 0 HD22 LEU A 174 16.578 24.777 -2.571 1.00 53.52 H new ATOM 0 HD23 LEU A 174 17.788 26.046 -2.270 1.00 53.52 H new ATOM 2310 N ASP A 175 17.810 25.058 2.874 1.00 52.12 N ATOM 2311 CA ASP A 175 17.189 25.097 4.193 1.00 44.40 C ATOM 2312 C ASP A 175 17.406 26.455 4.855 1.00 74.31 C ATOM 2313 O ASP A 175 16.466 27.062 5.368 1.00 62.23 O ATOM 2314 CB ASP A 175 17.756 23.988 5.080 1.00 61.42 C ATOM 2315 CG ASP A 175 16.990 23.837 6.380 1.00 45.43 C ATOM 2316 OD1 ASP A 175 15.906 24.444 6.503 1.00 42.34 O ATOM 2317 OD2 ASP A 175 17.476 23.114 7.274 1.00 30.35 O ATOM 0 H ASP A 175 18.603 24.421 2.800 1.00 52.12 H new ATOM 0 HA ASP A 175 16.118 24.940 4.068 1.00 44.40 H new ATOM 0 HB2 ASP A 175 17.732 23.044 4.536 1.00 61.42 H new ATOM 0 HB3 ASP A 175 18.802 24.202 5.301 1.00 61.42 H new ATOM 2322 N GLU A 176 18.650 26.923 4.840 1.00 14.31 N ATOM 2323 CA GLU A 176 18.988 28.208 5.441 1.00 43.00 C ATOM 2324 C GLU A 176 18.155 29.331 4.830 1.00 41.00 C ATOM 2325 O GLU A 176 17.418 30.025 5.532 1.00 71.14 O ATOM 2326 CB GLU A 176 20.478 28.505 5.257 1.00 50.31 C ATOM 2327 CG GLU A 176 21.375 27.730 6.207 1.00 63.44 C ATOM 2328 CD GLU A 176 21.863 28.573 7.368 1.00 12.34 C ATOM 2329 OE1 GLU A 176 22.761 29.414 7.154 1.00 3.03 O ATOM 2330 OE2 GLU A 176 21.347 28.393 8.491 1.00 53.10 O ATOM 0 H GLU A 176 19.439 26.433 4.419 1.00 14.31 H new ATOM 0 HA GLU A 176 18.764 28.152 6.506 1.00 43.00 H new ATOM 0 HB2 GLU A 176 20.762 28.272 4.231 1.00 50.31 H new ATOM 0 HB3 GLU A 176 20.647 29.572 5.400 1.00 50.31 H new ATOM 0 HG2 GLU A 176 20.831 26.868 6.593 1.00 63.44 H new ATOM 0 HG3 GLU A 176 22.233 27.345 5.657 1.00 63.44 H new ATOM 2337 N LEU A 177 18.278 29.505 3.519 1.00 60.53 N ATOM 2338 CA LEU A 177 17.537 30.543 2.812 1.00 42.54 C ATOM 2339 C LEU A 177 16.047 30.458 3.124 1.00 74.42 C ATOM 2340 O LEU A 177 15.376 31.477 3.280 1.00 13.33 O ATOM 2341 CB LEU A 177 17.762 30.421 1.304 1.00 51.05 C ATOM 2342 CG LEU A 177 19.024 31.088 0.757 1.00 44.23 C ATOM 2343 CD1 LEU A 177 19.284 30.647 -0.676 1.00 14.35 C ATOM 2344 CD2 LEU A 177 18.905 32.603 0.837 1.00 55.11 C ATOM 0 H LEU A 177 18.884 28.940 2.924 1.00 60.53 H new ATOM 0 HA LEU A 177 17.905 31.511 3.151 1.00 42.54 H new ATOM 0 HB2 LEU A 177 17.794 29.362 1.046 1.00 51.05 H new ATOM 0 HB3 LEU A 177 16.899 30.848 0.793 1.00 51.05 H new ATOM 0 HG LEU A 177 19.870 30.777 1.370 1.00 44.23 H new ATOM 0 HD11 LEU A 177 20.186 31.132 -1.048 1.00 14.35 H new ATOM 0 HD12 LEU A 177 19.415 29.565 -0.706 1.00 14.35 H new ATOM 0 HD13 LEU A 177 18.437 30.927 -1.302 1.00 14.35 H new ATOM 0 HD21 LEU A 177 19.813 33.061 0.443 1.00 55.11 H new ATOM 0 HD22 LEU A 177 18.048 32.932 0.249 1.00 55.11 H new ATOM 0 HD23 LEU A 177 18.769 32.903 1.876 1.00 55.11 H new ATOM 2356 N MET A 178 15.536 29.234 3.215 1.00 51.12 N ATOM 2357 CA MET A 178 14.125 29.015 3.512 1.00 40.50 C ATOM 2358 C MET A 178 13.737 29.682 4.828 1.00 22.43 C ATOM 2359 O MET A 178 12.766 30.434 4.891 1.00 14.31 O ATOM 2360 CB MET A 178 13.821 27.517 3.576 1.00 5.42 C ATOM 2361 CG MET A 178 12.946 27.025 2.435 1.00 1.30 C ATOM 2362 SD MET A 178 11.298 26.542 2.983 1.00 74.13 S ATOM 2363 CE MET A 178 11.673 25.064 3.923 1.00 10.40 C ATOM 0 H MET A 178 16.078 28.379 3.087 1.00 51.12 H new ATOM 0 HA MET A 178 13.537 29.463 2.711 1.00 40.50 H new ATOM 0 HB2 MET A 178 14.760 26.963 3.568 1.00 5.42 H new ATOM 0 HB3 MET A 178 13.328 27.295 4.523 1.00 5.42 H new ATOM 0 HG2 MET A 178 12.859 27.810 1.684 1.00 1.30 H new ATOM 0 HG3 MET A 178 13.428 26.175 1.953 1.00 1.30 H new ATOM 0 HE1 MET A 178 10.758 24.495 4.086 1.00 10.40 H new ATOM 0 HE2 MET A 178 12.387 24.453 3.371 1.00 10.40 H new ATOM 0 HE3 MET A 178 12.102 25.344 4.885 1.00 10.40 H new ATOM 2373 N ALA A 179 14.503 29.399 5.877 1.00 13.14 N ATOM 2374 CA ALA A 179 14.240 29.972 7.191 1.00 14.44 C ATOM 2375 C ALA A 179 14.454 31.482 7.185 1.00 52.24 C ATOM 2376 O ALA A 179 13.763 32.220 7.887 1.00 22.15 O ATOM 2377 CB ALA A 179 15.125 29.316 8.240 1.00 3.43 C ATOM 0 H ALA A 179 15.310 28.777 5.842 1.00 13.14 H new ATOM 0 HA ALA A 179 13.196 29.780 7.441 1.00 14.44 H new ATOM 0 HB1 ALA A 179 14.918 29.754 9.216 1.00 3.43 H new ATOM 0 HB2 ALA A 179 14.920 28.246 8.271 1.00 3.43 H new ATOM 0 HB3 ALA A 179 16.172 29.477 7.985 1.00 3.43 H new ATOM 2383 N SER A 180 15.416 31.935 6.387 1.00 55.23 N ATOM 2384 CA SER A 180 15.724 33.357 6.292 1.00 13.31 C ATOM 2385 C SER A 180 14.510 34.145 5.809 1.00 12.33 C ATOM 2386 O SER A 180 14.278 35.276 6.239 1.00 52.20 O ATOM 2387 CB SER A 180 16.903 33.583 5.344 1.00 52.32 C ATOM 2388 OG SER A 180 17.987 34.200 6.016 1.00 0.11 O ATOM 0 H SER A 180 15.995 31.338 5.797 1.00 55.23 H new ATOM 0 HA SER A 180 15.994 33.712 7.287 1.00 13.31 H new ATOM 0 HB2 SER A 180 17.226 32.629 4.926 1.00 52.32 H new ATOM 0 HB3 SER A 180 16.587 34.207 4.508 1.00 52.32 H new ATOM 0 HG SER A 180 18.728 34.332 5.389 1.00 0.11 H new ATOM 2394 N LEU A 181 13.738 33.540 4.913 1.00 0.23 N ATOM 2395 CA LEU A 181 12.547 34.184 4.370 1.00 33.24 C ATOM 2396 C LEU A 181 11.353 33.991 5.300 1.00 55.53 C ATOM 2397 O LEU A 181 10.424 34.800 5.310 1.00 44.03 O ATOM 2398 CB LEU A 181 12.225 33.621 2.985 1.00 62.20 C ATOM 2399 CG LEU A 181 13.118 34.103 1.841 1.00 54.12 C ATOM 2400 CD1 LEU A 181 13.131 33.087 0.709 1.00 12.03 C ATOM 2401 CD2 LEU A 181 12.650 35.460 1.336 1.00 43.42 C ATOM 0 H LEU A 181 13.915 32.605 4.547 1.00 0.23 H new ATOM 0 HA LEU A 181 12.749 35.252 4.283 1.00 33.24 H new ATOM 0 HB2 LEU A 181 12.286 32.534 3.034 1.00 62.20 H new ATOM 0 HB3 LEU A 181 11.192 33.872 2.744 1.00 62.20 H new ATOM 0 HG LEU A 181 14.135 34.208 2.219 1.00 54.12 H new ATOM 0 HD11 LEU A 181 13.772 33.447 -0.096 1.00 12.03 H new ATOM 0 HD12 LEU A 181 13.513 32.135 1.079 1.00 12.03 H new ATOM 0 HD13 LEU A 181 12.118 32.949 0.332 1.00 12.03 H new ATOM 0 HD21 LEU A 181 13.297 35.788 0.522 1.00 43.42 H new ATOM 0 HD22 LEU A 181 11.625 35.380 0.975 1.00 43.42 H new ATOM 0 HD23 LEU A 181 12.693 36.185 2.149 1.00 43.42 H new ATOM 2413 N SER A 182 11.384 32.916 6.081 1.00 42.51 N ATOM 2414 CA SER A 182 10.304 32.617 7.013 1.00 33.11 C ATOM 2415 C SER A 182 10.230 33.669 8.115 1.00 15.41 C ATOM 2416 O SER A 182 9.201 34.321 8.298 1.00 2.10 O ATOM 2417 CB SER A 182 10.503 31.231 7.629 1.00 73.52 C ATOM 2418 OG SER A 182 9.569 30.996 8.669 1.00 60.43 O ATOM 0 H SER A 182 12.146 32.238 6.087 1.00 42.51 H new ATOM 0 HA SER A 182 9.365 32.630 6.459 1.00 33.11 H new ATOM 0 HB2 SER A 182 10.393 30.468 6.858 1.00 73.52 H new ATOM 0 HB3 SER A 182 11.517 31.146 8.020 1.00 73.52 H new ATOM 0 HG SER A 182 9.716 30.103 9.045 1.00 60.43 H new ATOM 2424 N ASP A 183 11.327 33.829 8.846 1.00 11.33 N ATOM 2425 CA ASP A 183 11.388 34.803 9.930 1.00 23.13 C ATOM 2426 C ASP A 183 12.718 35.550 9.915 1.00 40.44 C ATOM 2427 O ASP A 183 12.921 36.491 10.683 1.00 4.50 O ATOM 2428 CB ASP A 183 11.195 34.109 11.279 1.00 21.24 C ATOM 2429 CG ASP A 183 9.847 34.417 11.901 1.00 21.21 C ATOM 2430 OD1 ASP A 183 9.565 35.609 12.146 1.00 75.41 O ATOM 2431 OD2 ASP A 183 9.074 33.466 12.142 1.00 3.22 O ATOM 0 H ASP A 183 12.186 33.297 8.708 1.00 11.33 H new ATOM 0 HA ASP A 183 10.584 35.525 9.783 1.00 23.13 H new ATOM 0 HB2 ASP A 183 11.293 33.031 11.147 1.00 21.24 H new ATOM 0 HB3 ASP A 183 11.986 34.420 11.961 1.00 21.24 H new