USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 847 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 7 LYS NZ :NH3+ 174:sc= 0.117 (180deg=-0.136) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.168 USER MOD Set 2.1: A 25 SER OG : rot 180:sc=0.000585 USER MOD Set 2.2: A 28 THR OG1 : rot -119:sc= 0.119 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 147:sc= 2.4 (180deg=0.192) USER MOD Set 3.2: A 22 ASN : amide:sc= 0.904 K(o=1.5,f=-6.6) USER MOD Set 3.3: A 109 SER OG : rot 6:sc= -1.85! USER MOD Set 4.1: A 12 HIS : no HD1:sc= -1.55 K(o=-5.6,f=-8.2) USER MOD Set 4.2: A 68 CYS SG : rot -98:sc= -2.06! USER MOD Set 4.3: A 70 SER OG : rot 170:sc= 0 USER MOD Set 4.4: A 107 THR OG1 : rot -133:sc= 1.07 USER MOD Set 4.5: A 112 HIS :FLIP no HD1:sc= -3.03! C(o=-14!,f=-5.6!) USER MOD Single : A 18 SER OG : rot 40:sc= 0.427 USER MOD Single : A 20 SER OG : rot 79:sc= 0.201 USER MOD Single : A 31 SER OG : rot -95:sc= 1.22 USER MOD Single : A 32 THR OG1 : rot -170:sc= -1.15 USER MOD Single : A 36 THR OG1 : rot -88:sc= 1.58 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.0616 F(o=-2.5!,f=-0.062) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.189) USER MOD Single : A 48 SER OG : rot 180:sc= -0.16 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.222 F(o=-1.5!,f=-0.22) USER MOD Single : A 53 SER OG : rot 172:sc= -0.74 USER MOD Single : A 57 SER OG : rot 74:sc= 0.259 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.21 K(o=1.2,f=-0.011) USER MOD Single : A 66 SER OG : rot 180:sc= 0.415 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 172:sc= -0.304 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -133:sc= -1.55 (180deg=-2.32) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 130:sc= 0.986 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0192) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -18.781 -4.745 -2.134 1.00 0.57 N ATOM 47 CA LYS A 7 -17.780 -4.324 -3.098 1.00 0.51 C ATOM 48 C LYS A 7 -17.194 -2.984 -2.684 1.00 0.42 C ATOM 49 O LYS A 7 -17.918 -2.045 -2.348 1.00 0.60 O ATOM 50 CB LYS A 7 -18.359 -4.254 -4.507 1.00 0.64 C ATOM 51 CG LYS A 7 -17.569 -5.056 -5.535 1.00 0.92 C ATOM 52 CD LYS A 7 -17.422 -6.511 -5.114 1.00 0.87 C ATOM 53 CE LYS A 7 -16.804 -7.366 -6.210 1.00 1.10 C ATOM 54 NZ LYS A 7 -16.763 -8.809 -5.833 1.00 1.19 N ATOM 0 HA LYS A 7 -16.983 -5.067 -3.112 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.386 -4.618 -4.487 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.397 -3.212 -4.823 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -18.070 -5.005 -6.501 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -16.582 -4.612 -5.664 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.803 -6.568 -4.219 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -18.401 -6.912 -4.851 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -17.377 -7.247 -7.130 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -15.793 -7.016 -6.417 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.430 -9.370 -6.643 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -16.114 -8.940 -5.031 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -17.716 -9.124 -5.562 1.00 1.19 H new ATOM 68 N LEU A 8 -15.881 -2.924 -2.700 1.00 0.33 N ATOM 69 CA LEU A 8 -15.141 -1.798 -2.177 1.00 0.26 C ATOM 70 C LEU A 8 -14.147 -1.299 -3.226 1.00 0.22 C ATOM 71 O LEU A 8 -13.931 -1.955 -4.248 1.00 0.22 O ATOM 72 CB LEU A 8 -14.409 -2.259 -0.912 1.00 0.25 C ATOM 73 CG LEU A 8 -14.525 -1.352 0.316 1.00 0.33 C ATOM 74 CD1 LEU A 8 -14.202 -2.138 1.577 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.590 -0.164 0.196 1.00 0.81 C ATOM 0 H LEU A 8 -15.291 -3.664 -3.081 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.813 -0.975 -1.934 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -14.783 -3.247 -0.643 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.352 -2.373 -1.153 1.00 0.25 H new ATOM 0 HG LEU A 8 -15.549 -0.983 0.375 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -14.287 -1.484 2.445 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.901 -2.968 1.678 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.185 -2.526 1.513 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.689 0.467 1.079 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.562 -0.517 0.115 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.847 0.413 -0.693 1.00 0.81 H new ATOM 87 N ARG A 9 -13.573 -0.136 -2.975 1.00 0.24 N ATOM 88 CA ARG A 9 -12.524 0.425 -3.813 1.00 0.23 C ATOM 89 C ARG A 9 -11.548 1.188 -2.940 1.00 0.20 C ATOM 90 O ARG A 9 -11.949 2.077 -2.187 1.00 0.21 O ATOM 91 CB ARG A 9 -13.091 1.371 -4.873 1.00 0.25 C ATOM 92 CG ARG A 9 -12.003 2.069 -5.674 1.00 0.26 C ATOM 93 CD ARG A 9 -12.573 3.039 -6.689 1.00 0.34 C ATOM 94 NE ARG A 9 -11.517 3.737 -7.423 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.711 4.858 -8.118 1.00 0.81 C ATOM 96 NH1 ARG A 9 -12.913 5.425 -8.146 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.705 5.409 -8.787 1.00 0.98 N ATOM 0 H ARG A 9 -13.822 0.451 -2.179 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.024 -0.397 -4.325 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.732 0.808 -5.551 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.718 2.120 -4.389 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.341 2.605 -4.994 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.397 1.323 -6.188 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.209 2.499 -7.391 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.206 3.767 -6.181 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.577 3.342 -7.402 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.688 5.002 -7.635 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.060 6.283 -8.678 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.782 4.975 -8.770 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.855 6.267 -9.318 1.00 0.98 H new ATOM 111 N ALA A 10 -10.274 0.846 -3.024 1.00 0.20 N ATOM 112 CA ALA A 10 -9.285 1.494 -2.186 1.00 0.17 C ATOM 113 C ALA A 10 -7.944 1.643 -2.896 1.00 0.16 C ATOM 114 O ALA A 10 -7.667 0.960 -3.883 1.00 0.17 O ATOM 115 CB ALA A 10 -9.119 0.714 -0.890 1.00 0.22 C ATOM 0 H ALA A 10 -9.906 0.134 -3.655 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.642 2.499 -1.962 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.375 1.205 -0.263 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.072 0.679 -0.362 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.791 -0.301 -1.116 1.00 0.22 H new ATOM 121 N ALA A 11 -7.129 2.555 -2.382 1.00 0.17 N ATOM 122 CA ALA A 11 -5.802 2.808 -2.917 1.00 0.18 C ATOM 123 C ALA A 11 -4.758 2.243 -1.974 1.00 0.17 C ATOM 124 O ALA A 11 -4.815 2.481 -0.772 1.00 0.19 O ATOM 125 CB ALA A 11 -5.582 4.303 -3.128 1.00 0.20 C ATOM 0 H ALA A 11 -7.372 3.139 -1.582 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.711 2.316 -3.885 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.582 4.471 -3.529 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.323 4.684 -3.830 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.683 4.824 -2.176 1.00 0.20 H new ATOM 131 N HIS A 12 -3.807 1.501 -2.517 1.00 0.16 N ATOM 132 CA HIS A 12 -2.849 0.792 -1.684 1.00 0.16 C ATOM 133 C HIS A 12 -1.426 0.988 -2.195 1.00 0.15 C ATOM 134 O HIS A 12 -1.179 0.983 -3.402 1.00 0.19 O ATOM 135 CB HIS A 12 -3.196 -0.703 -1.619 1.00 0.17 C ATOM 136 CG HIS A 12 -2.899 -1.475 -2.872 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.543 -1.261 -4.070 1.00 0.23 N ATOM 138 CD2 HIS A 12 -2.013 -2.471 -3.101 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.064 -2.095 -4.974 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.138 -2.839 -4.411 1.00 0.21 N ATOM 0 H HIS A 12 -3.678 1.374 -3.521 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.906 1.207 -0.678 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.646 -1.153 -0.793 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.257 -0.805 -1.389 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.331 -2.898 -2.380 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.380 -2.156 -6.005 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.601 -3.571 -4.876 1.00 0.21 H new ATOM 149 N LEU A 13 -0.498 1.158 -1.268 1.00 0.15 N ATOM 150 CA LEU A 13 0.904 1.339 -1.609 1.00 0.14 C ATOM 151 C LEU A 13 1.689 0.134 -1.116 1.00 0.16 C ATOM 152 O LEU A 13 1.436 -0.366 -0.022 1.00 0.24 O ATOM 153 CB LEU A 13 1.434 2.641 -0.983 1.00 0.15 C ATOM 154 CG LEU A 13 2.722 3.213 -1.594 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.858 4.688 -1.259 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.951 2.463 -1.101 1.00 0.18 C ATOM 0 H LEU A 13 -0.692 1.175 -0.267 1.00 0.15 H new ATOM 0 HA LEU A 13 1.020 1.418 -2.690 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.654 3.399 -1.057 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.607 2.465 0.079 1.00 0.15 H new ATOM 0 HG LEU A 13 2.655 3.091 -2.675 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.776 5.078 -1.699 1.00 0.16 H new ATOM 0 HD12 LEU A 13 2.003 5.233 -1.660 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.893 4.814 -0.177 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.845 2.893 -1.553 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.017 2.546 -0.016 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.873 1.412 -1.381 1.00 0.18 H new ATOM 168 N LEU A 14 2.607 -0.350 -1.936 1.00 0.13 N ATOM 169 CA LEU A 14 3.403 -1.515 -1.588 1.00 0.14 C ATOM 170 C LEU A 14 4.890 -1.189 -1.582 1.00 0.16 C ATOM 171 O LEU A 14 5.441 -0.744 -2.583 1.00 0.27 O ATOM 172 CB LEU A 14 3.126 -2.646 -2.579 1.00 0.16 C ATOM 173 CG LEU A 14 4.131 -3.805 -2.573 1.00 0.20 C ATOM 174 CD1 LEU A 14 4.150 -4.520 -1.230 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.805 -4.782 -3.687 1.00 0.27 C ATOM 0 H LEU A 14 2.820 0.048 -2.851 1.00 0.13 H new ATOM 0 HA LEU A 14 3.121 -1.829 -0.583 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.135 -3.049 -2.372 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.095 -2.223 -3.583 1.00 0.16 H new ATOM 0 HG LEU A 14 5.125 -3.390 -2.740 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.873 -5.335 -1.262 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.431 -3.816 -0.447 1.00 0.18 H new ATOM 0 HD13 LEU A 14 3.159 -4.922 -1.018 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.524 -5.601 -3.675 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.800 -5.179 -3.541 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.856 -4.269 -4.647 1.00 0.27 H new ATOM 187 N VAL A 15 5.530 -1.415 -0.453 1.00 0.13 N ATOM 188 CA VAL A 15 6.975 -1.313 -0.368 1.00 0.13 C ATOM 189 C VAL A 15 7.565 -2.710 -0.236 1.00 0.13 C ATOM 190 O VAL A 15 7.025 -3.554 0.483 1.00 0.15 O ATOM 191 CB VAL A 15 7.429 -0.439 0.825 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.946 -0.342 0.881 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.821 0.949 0.731 1.00 0.15 C ATOM 0 H VAL A 15 5.072 -1.671 0.422 1.00 0.13 H new ATOM 0 HA VAL A 15 7.333 -0.831 -1.278 1.00 0.13 H new ATOM 0 HB VAL A 15 7.080 -0.914 1.742 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.240 0.278 1.728 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.370 -1.339 0.996 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.316 0.105 -0.041 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.152 1.549 1.579 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.140 1.424 -0.197 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.734 0.872 0.743 1.00 0.15 H new ATOM 203 N LYS A 16 8.646 -2.957 -0.950 1.00 0.15 N ATOM 204 CA LYS A 16 9.323 -4.241 -0.891 1.00 0.17 C ATOM 205 C LYS A 16 10.602 -4.111 -0.087 1.00 0.16 C ATOM 206 O LYS A 16 11.086 -3.005 0.147 1.00 0.24 O ATOM 207 CB LYS A 16 9.647 -4.754 -2.291 1.00 0.23 C ATOM 208 CG LYS A 16 8.447 -5.254 -3.069 1.00 0.26 C ATOM 209 CD LYS A 16 7.853 -6.494 -2.427 1.00 0.37 C ATOM 210 CE LYS A 16 6.955 -7.249 -3.393 1.00 0.48 C ATOM 211 NZ LYS A 16 7.671 -7.633 -4.638 1.00 0.62 N ATOM 0 H LYS A 16 9.077 -2.282 -1.582 1.00 0.15 H new ATOM 0 HA LYS A 16 8.657 -4.956 -0.408 1.00 0.17 H new ATOM 0 HB2 LYS A 16 10.123 -3.953 -2.857 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.374 -5.562 -2.209 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.691 -4.470 -3.120 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.743 -5.478 -4.094 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.656 -7.149 -2.088 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.280 -6.209 -1.544 1.00 0.37 H new ATOM 0 HE2 LYS A 16 6.571 -8.145 -2.905 1.00 0.48 H new ATOM 0 HE3 LYS A 16 6.094 -6.630 -3.646 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 7.298 -8.539 -4.987 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 7.529 -6.898 -5.361 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 8.687 -7.731 -4.438 1.00 0.62 H new ATOM 225 N PHE A 17 11.149 -5.240 0.319 1.00 0.17 N ATOM 226 CA PHE A 17 12.340 -5.254 1.138 1.00 0.17 C ATOM 227 C PHE A 17 13.065 -6.575 0.952 1.00 0.19 C ATOM 228 O PHE A 17 12.485 -7.540 0.459 1.00 0.21 O ATOM 229 CB PHE A 17 11.975 -5.019 2.611 1.00 0.17 C ATOM 230 CG PHE A 17 11.062 -6.056 3.213 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.565 -7.248 3.710 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.697 -5.827 3.296 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.727 -8.192 4.273 1.00 0.23 C ATOM 234 CE2 PHE A 17 8.856 -6.766 3.859 1.00 0.23 C ATOM 235 CZ PHE A 17 9.371 -7.950 4.349 1.00 0.25 C ATOM 0 H PHE A 17 10.783 -6.164 0.092 1.00 0.17 H new ATOM 0 HA PHE A 17 13.006 -4.448 0.830 1.00 0.17 H new ATOM 0 HB2 PHE A 17 12.894 -4.982 3.196 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.500 -4.042 2.701 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.626 -7.442 3.657 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.287 -4.903 2.916 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.133 -9.118 4.653 1.00 0.23 H new ATOM 0 HE2 PHE A 17 7.795 -6.575 3.916 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.714 -8.685 4.791 1.00 0.25 H new ATOM 245 N SER A 18 14.336 -6.602 1.300 1.00 0.22 N ATOM 246 CA SER A 18 15.130 -7.809 1.198 1.00 0.26 C ATOM 247 C SER A 18 14.507 -8.932 2.024 1.00 0.30 C ATOM 248 O SER A 18 14.503 -8.879 3.260 1.00 0.30 O ATOM 249 CB SER A 18 16.560 -7.524 1.661 1.00 0.29 C ATOM 250 OG SER A 18 16.582 -6.974 2.970 1.00 1.04 O ATOM 0 H SER A 18 14.844 -5.794 1.659 1.00 0.22 H new ATOM 0 HA SER A 18 15.154 -8.133 0.157 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.140 -8.446 1.643 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.038 -6.833 0.967 1.00 0.29 H new ATOM 0 HG SER A 18 15.911 -7.424 3.525 1.00 1.04 H new ATOM 256 N GLY A 19 13.973 -9.937 1.338 1.00 0.35 N ATOM 257 CA GLY A 19 13.328 -11.034 2.026 1.00 0.45 C ATOM 258 C GLY A 19 11.811 -10.990 1.931 1.00 0.42 C ATOM 259 O GLY A 19 11.130 -11.748 2.621 1.00 0.53 O ATOM 0 H GLY A 19 13.976 -10.009 0.321 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.685 -11.976 1.609 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.621 -11.019 3.076 1.00 0.45 H new ATOM 263 N SER A 20 11.269 -10.112 1.085 1.00 0.34 N ATOM 264 CA SER A 20 9.826 -9.917 1.004 1.00 0.41 C ATOM 265 C SER A 20 9.135 -11.039 0.219 1.00 0.40 C ATOM 266 O SER A 20 8.186 -10.781 -0.526 1.00 0.45 O ATOM 267 CB SER A 20 9.538 -8.561 0.350 1.00 0.51 C ATOM 268 OG SER A 20 10.187 -8.445 -0.908 1.00 0.70 O ATOM 0 H SER A 20 11.810 -9.527 0.448 1.00 0.34 H new ATOM 0 HA SER A 20 9.423 -9.939 2.017 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.463 -8.439 0.219 1.00 0.51 H new ATOM 0 HB3 SER A 20 9.872 -7.759 1.009 1.00 0.51 H new ATOM 0 HG SER A 20 9.675 -8.933 -1.586 1.00 0.70 H new ATOM 274 N ARG A 21 9.623 -12.277 0.383 1.00 0.43 N ATOM 275 CA ARG A 21 9.127 -13.454 -0.353 1.00 0.49 C ATOM 276 C ARG A 21 9.484 -13.364 -1.841 1.00 0.51 C ATOM 277 O ARG A 21 9.802 -14.365 -2.481 1.00 0.60 O ATOM 278 CB ARG A 21 7.611 -13.614 -0.156 1.00 0.58 C ATOM 279 CG ARG A 21 6.981 -14.689 -1.026 1.00 1.25 C ATOM 280 CD ARG A 21 5.499 -14.846 -0.731 1.00 1.25 C ATOM 281 NE ARG A 21 4.812 -15.592 -1.783 1.00 2.28 N ATOM 282 CZ ARG A 21 3.576 -16.076 -1.678 1.00 2.47 C ATOM 283 NH1 ARG A 21 2.910 -15.989 -0.535 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.013 -16.672 -2.718 1.00 3.49 N ATOM 0 H ARG A 21 10.378 -12.494 1.034 1.00 0.43 H new ATOM 0 HA ARG A 21 9.617 -14.340 0.051 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.414 -13.847 0.890 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.126 -12.661 -0.367 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.119 -14.435 -2.077 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.489 -15.639 -0.858 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.371 -15.360 0.222 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.043 -13.862 -0.627 1.00 1.25 H new ATOM 0 HE ARG A 21 5.313 -15.753 -2.657 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.344 -15.548 0.276 1.00 1.89 H new ATOM 0 HH12 ARG A 21 1.964 -16.363 -0.466 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.526 -16.759 -3.595 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.066 -17.044 -2.642 1.00 3.49 H new ATOM 298 N ASN A 22 9.444 -12.154 -2.365 1.00 0.51 N ATOM 299 CA ASN A 22 9.908 -11.838 -3.700 1.00 0.62 C ATOM 300 C ASN A 22 10.295 -10.362 -3.721 1.00 0.58 C ATOM 301 O ASN A 22 9.477 -9.489 -3.418 1.00 0.64 O ATOM 302 CB ASN A 22 8.839 -12.163 -4.763 1.00 0.87 C ATOM 303 CG ASN A 22 7.553 -11.365 -4.619 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.405 -10.288 -5.197 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.602 -11.899 -3.868 1.00 0.80 N ATOM 0 H ASN A 22 9.079 -11.345 -1.862 1.00 0.51 H new ATOM 0 HA ASN A 22 10.774 -12.451 -3.949 1.00 0.62 H new ATOM 0 HB2 ASN A 22 9.259 -11.979 -5.752 1.00 0.87 H new ATOM 0 HB3 ASN A 22 8.602 -13.226 -4.710 1.00 0.87 H new ATOM 0 HD21 ASN A 22 5.711 -11.416 -3.753 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.760 -12.793 -3.404 1.00 0.80 H new ATOM 312 N PRO A 23 11.568 -10.064 -4.007 1.00 0.55 N ATOM 313 CA PRO A 23 12.089 -8.701 -3.943 1.00 0.61 C ATOM 314 C PRO A 23 11.764 -7.903 -5.216 1.00 0.79 C ATOM 315 O PRO A 23 10.774 -8.189 -5.890 1.00 1.71 O ATOM 316 CB PRO A 23 13.592 -8.939 -3.793 1.00 0.66 C ATOM 317 CG PRO A 23 13.841 -10.178 -4.582 1.00 0.73 C ATOM 318 CD PRO A 23 12.607 -11.029 -4.422 1.00 0.57 C ATOM 0 HA PRO A 23 11.657 -8.108 -3.137 1.00 0.61 H new ATOM 0 HB2 PRO A 23 14.170 -8.098 -4.177 1.00 0.66 H new ATOM 0 HB3 PRO A 23 13.873 -9.068 -2.748 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.019 -9.943 -5.631 1.00 0.73 H new ATOM 0 HG3 PRO A 23 14.725 -10.701 -4.218 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.341 -11.528 -5.354 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.752 -11.808 -3.674 1.00 0.57 H new ATOM 326 N VAL A 24 12.621 -6.928 -5.541 1.00 0.39 N ATOM 327 CA VAL A 24 12.412 -6.012 -6.674 1.00 0.36 C ATOM 328 C VAL A 24 11.171 -5.143 -6.473 1.00 0.32 C ATOM 329 O VAL A 24 10.045 -5.632 -6.494 1.00 0.35 O ATOM 330 CB VAL A 24 12.290 -6.754 -8.023 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.146 -5.762 -9.169 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.488 -7.660 -8.252 1.00 0.48 C ATOM 0 H VAL A 24 13.483 -6.750 -5.025 1.00 0.39 H new ATOM 0 HA VAL A 24 13.299 -5.379 -6.707 1.00 0.36 H new ATOM 0 HB VAL A 24 11.395 -7.375 -7.988 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.061 -6.304 -10.111 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.252 -5.157 -9.017 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.021 -5.113 -9.201 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.380 -8.172 -9.208 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.400 -7.062 -8.262 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.546 -8.397 -7.451 1.00 0.48 H new ATOM 342 N SER A 25 11.384 -3.850 -6.267 1.00 0.32 N ATOM 343 CA SER A 25 10.284 -2.917 -6.110 1.00 0.32 C ATOM 344 C SER A 25 10.102 -2.101 -7.386 1.00 0.32 C ATOM 345 O SER A 25 11.061 -1.905 -8.136 1.00 0.36 O ATOM 346 CB SER A 25 10.570 -1.996 -4.919 1.00 0.42 C ATOM 347 OG SER A 25 11.842 -1.380 -5.044 1.00 1.12 O ATOM 0 H SER A 25 12.310 -3.427 -6.205 1.00 0.32 H new ATOM 0 HA SER A 25 9.362 -3.467 -5.923 1.00 0.32 H new ATOM 0 HB2 SER A 25 9.797 -1.231 -4.853 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.530 -2.570 -3.993 1.00 0.42 H new ATOM 0 HG SER A 25 12.000 -0.796 -4.273 1.00 1.12 H new ATOM 353 N ARG A 26 8.876 -1.630 -7.639 1.00 0.32 N ATOM 354 CA ARG A 26 8.630 -0.701 -8.741 1.00 0.34 C ATOM 355 C ARG A 26 9.347 0.613 -8.468 1.00 0.37 C ATOM 356 O ARG A 26 9.457 1.469 -9.344 1.00 0.44 O ATOM 357 CB ARG A 26 7.136 -0.426 -8.950 1.00 0.39 C ATOM 358 CG ARG A 26 6.306 -1.618 -9.423 1.00 0.52 C ATOM 359 CD ARG A 26 6.977 -2.397 -10.540 1.00 0.82 C ATOM 360 NE ARG A 26 7.722 -3.546 -10.025 1.00 1.21 N ATOM 361 CZ ARG A 26 8.306 -4.465 -10.791 1.00 1.88 C ATOM 362 NH1 ARG A 26 8.246 -4.372 -12.113 1.00 2.47 N ATOM 363 NH2 ARG A 26 8.937 -5.486 -10.234 1.00 2.54 N ATOM 0 H ARG A 26 8.046 -1.876 -7.099 1.00 0.32 H new ATOM 0 HA ARG A 26 9.012 -1.166 -9.650 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.717 -0.064 -8.011 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.031 0.379 -9.678 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.123 -2.285 -8.580 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.334 -1.264 -9.766 1.00 0.52 H new ATOM 0 HD2 ARG A 26 6.223 -2.740 -11.249 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.653 -1.740 -11.087 1.00 0.82 H new ATOM 0 HE ARG A 26 7.799 -3.650 -9.013 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.751 -3.593 -12.548 1.00 2.47 H new ATOM 0 HH12 ARG A 26 8.695 -5.079 -12.695 1.00 2.47 H new ATOM 0 HH21 ARG A 26 8.976 -5.569 -9.218 1.00 2.54 H new ATOM 0 HH22 ARG A 26 9.385 -6.190 -10.821 1.00 2.54 H new ATOM 377 N ARG A 27 9.819 0.759 -7.233 1.00 0.36 N ATOM 378 CA ARG A 27 10.581 1.923 -6.820 1.00 0.44 C ATOM 379 C ARG A 27 11.928 1.940 -7.525 1.00 0.53 C ATOM 380 O ARG A 27 12.276 2.908 -8.199 1.00 0.73 O ATOM 381 CB ARG A 27 10.812 1.900 -5.308 1.00 0.52 C ATOM 382 CG ARG A 27 11.109 3.268 -4.716 1.00 0.55 C ATOM 383 CD ARG A 27 11.766 3.167 -3.348 1.00 0.70 C ATOM 384 NE ARG A 27 13.172 2.765 -3.436 1.00 0.91 N ATOM 385 CZ ARG A 27 13.901 2.357 -2.395 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.363 2.273 -1.187 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.179 2.044 -2.562 1.00 1.63 N ATOM 0 H ARG A 27 9.681 0.070 -6.493 1.00 0.36 H new ATOM 0 HA ARG A 27 10.014 2.815 -7.086 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.929 1.486 -4.820 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.642 1.229 -5.086 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.761 3.821 -5.391 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.182 3.836 -4.632 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.696 4.130 -2.842 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.222 2.446 -2.738 1.00 0.70 H new ATOM 0 HE ARG A 27 13.622 2.799 -4.351 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.384 2.521 -1.046 1.00 1.77 H new ATOM 0 HH12 ARG A 27 13.928 1.960 -0.398 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.605 2.115 -3.486 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.736 1.732 -1.766 1.00 1.63 H new ATOM 401 N THR A 28 12.680 0.854 -7.370 1.00 0.45 N ATOM 402 CA THR A 28 14.014 0.772 -7.938 1.00 0.53 C ATOM 403 C THR A 28 13.958 0.245 -9.363 1.00 0.55 C ATOM 404 O THR A 28 14.746 0.641 -10.228 1.00 0.67 O ATOM 405 CB THR A 28 14.929 -0.147 -7.097 1.00 0.55 C ATOM 406 OG1 THR A 28 14.510 -1.514 -7.218 1.00 0.55 O ATOM 407 CG2 THR A 28 14.888 0.239 -5.629 1.00 0.53 C ATOM 0 H THR A 28 12.386 0.023 -6.857 1.00 0.45 H new ATOM 0 HA THR A 28 14.428 1.780 -7.936 1.00 0.53 H new ATOM 0 HB THR A 28 15.945 -0.031 -7.474 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.257 -1.858 -6.336 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.540 -0.423 -5.060 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.227 1.269 -5.514 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.867 0.149 -5.258 1.00 0.53 H new ATOM 415 N GLY A 29 13.005 -0.653 -9.600 1.00 0.47 N ATOM 416 CA GLY A 29 12.844 -1.250 -10.907 1.00 0.52 C ATOM 417 C GLY A 29 13.975 -2.194 -11.240 1.00 0.58 C ATOM 418 O GLY A 29 14.182 -2.541 -12.403 1.00 0.82 O ATOM 0 H GLY A 29 12.338 -0.978 -8.900 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.898 -1.790 -10.945 1.00 0.52 H new ATOM 0 HA3 GLY A 29 12.793 -0.464 -11.661 1.00 0.52 H new ATOM 422 N ASP A 30 14.713 -2.597 -10.213 1.00 0.53 N ATOM 423 CA ASP A 30 15.851 -3.487 -10.387 1.00 0.58 C ATOM 424 C ASP A 30 15.972 -4.438 -9.203 1.00 0.55 C ATOM 425 O ASP A 30 15.744 -5.638 -9.339 1.00 0.84 O ATOM 426 CB ASP A 30 17.143 -2.680 -10.546 1.00 0.67 C ATOM 427 CG ASP A 30 18.368 -3.566 -10.652 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.591 -4.156 -11.729 1.00 1.69 O ATOM 429 OD2 ASP A 30 19.112 -3.684 -9.656 1.00 2.10 O ATOM 0 H ASP A 30 14.541 -2.319 -9.247 1.00 0.53 H new ATOM 0 HA ASP A 30 15.690 -4.074 -11.291 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.071 -2.056 -11.437 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.256 -2.009 -9.695 1.00 0.67 H new ATOM 434 N SER A 31 16.316 -3.897 -8.039 1.00 0.53 N ATOM 435 CA SER A 31 16.448 -4.705 -6.837 1.00 0.50 C ATOM 436 C SER A 31 16.123 -3.902 -5.582 1.00 0.42 C ATOM 437 O SER A 31 16.326 -2.692 -5.536 1.00 0.48 O ATOM 438 CB SER A 31 17.862 -5.280 -6.743 1.00 0.62 C ATOM 439 OG SER A 31 18.835 -4.317 -7.120 1.00 1.08 O ATOM 0 H SER A 31 16.508 -2.904 -7.905 1.00 0.53 H new ATOM 0 HA SER A 31 15.730 -5.522 -6.904 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.054 -5.615 -5.724 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.945 -6.156 -7.387 1.00 0.62 H new ATOM 0 HG SER A 31 19.067 -4.439 -8.064 1.00 1.08 H new ATOM 445 N THR A 32 15.563 -4.575 -4.591 1.00 0.34 N ATOM 446 CA THR A 32 15.300 -3.961 -3.292 1.00 0.29 C ATOM 447 C THR A 32 15.900 -4.822 -2.176 1.00 0.27 C ATOM 448 O THR A 32 15.572 -4.675 -1.000 1.00 0.28 O ATOM 449 CB THR A 32 13.786 -3.727 -3.070 1.00 0.27 C ATOM 450 OG1 THR A 32 13.541 -3.049 -1.840 1.00 0.27 O ATOM 451 CG2 THR A 32 13.014 -5.031 -3.085 1.00 0.29 C ATOM 0 H THR A 32 15.279 -5.552 -4.658 1.00 0.34 H new ATOM 0 HA THR A 32 15.779 -2.982 -3.271 1.00 0.29 H new ATOM 0 HB THR A 32 13.441 -3.104 -3.895 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.580 -3.055 -1.649 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.955 -4.829 -2.926 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.149 -5.523 -4.048 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.382 -5.681 -2.291 1.00 0.29 H new ATOM 459 N ALA A 33 16.793 -5.720 -2.575 1.00 0.31 N ATOM 460 CA ALA A 33 17.456 -6.649 -1.659 1.00 0.32 C ATOM 461 C ALA A 33 18.415 -5.949 -0.686 1.00 0.34 C ATOM 462 O ALA A 33 19.007 -6.594 0.180 1.00 0.37 O ATOM 463 CB ALA A 33 18.199 -7.706 -2.455 1.00 0.37 C ATOM 0 H ALA A 33 17.081 -5.827 -3.548 1.00 0.31 H new ATOM 0 HA ALA A 33 16.679 -7.113 -1.052 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.692 -8.397 -1.771 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.493 -8.255 -3.079 1.00 0.37 H new ATOM 0 HB3 ALA A 33 18.946 -7.227 -3.088 1.00 0.37 H new ATOM 469 N ASP A 34 18.590 -4.647 -0.847 1.00 0.35 N ATOM 470 CA ASP A 34 19.490 -3.878 0.015 1.00 0.40 C ATOM 471 C ASP A 34 18.722 -3.230 1.169 1.00 0.36 C ATOM 472 O ASP A 34 19.275 -2.982 2.241 1.00 0.43 O ATOM 473 CB ASP A 34 20.210 -2.802 -0.804 1.00 0.49 C ATOM 474 CG ASP A 34 21.167 -1.964 0.023 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.342 -2.366 0.175 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.760 -0.888 0.506 1.00 2.21 O ATOM 0 H ASP A 34 18.123 -4.095 -1.566 1.00 0.35 H new ATOM 0 HA ASP A 34 20.227 -4.562 0.436 1.00 0.40 H new ATOM 0 HB2 ASP A 34 20.762 -3.279 -1.614 1.00 0.49 H new ATOM 0 HB3 ASP A 34 19.469 -2.148 -1.265 1.00 0.49 H new ATOM 481 N VAL A 35 17.438 -2.997 0.955 1.00 0.31 N ATOM 482 CA VAL A 35 16.593 -2.352 1.955 1.00 0.28 C ATOM 483 C VAL A 35 15.854 -3.403 2.781 1.00 0.25 C ATOM 484 O VAL A 35 15.329 -4.367 2.236 1.00 0.25 O ATOM 485 CB VAL A 35 15.601 -1.349 1.292 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.525 -1.563 -0.213 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.211 -1.442 1.907 1.00 0.26 C ATOM 0 H VAL A 35 16.952 -3.245 0.093 1.00 0.31 H new ATOM 0 HA VAL A 35 17.231 -1.778 2.627 1.00 0.28 H new ATOM 0 HB VAL A 35 15.988 -0.348 1.481 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.825 -0.849 -0.647 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.512 -1.416 -0.652 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.183 -2.577 -0.419 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.548 -0.728 1.418 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.820 -2.451 1.772 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.268 -1.215 2.971 1.00 0.26 H new ATOM 497 N THR A 36 15.833 -3.219 4.097 1.00 0.25 N ATOM 498 CA THR A 36 15.217 -4.184 4.998 1.00 0.27 C ATOM 499 C THR A 36 13.780 -3.786 5.261 1.00 0.23 C ATOM 500 O THR A 36 13.347 -2.749 4.773 1.00 0.20 O ATOM 501 CB THR A 36 15.961 -4.244 6.342 1.00 0.31 C ATOM 502 OG1 THR A 36 15.994 -2.936 6.934 1.00 0.30 O ATOM 503 CG2 THR A 36 17.374 -4.768 6.161 1.00 0.39 C ATOM 0 H THR A 36 16.237 -2.407 4.564 1.00 0.25 H new ATOM 0 HA THR A 36 15.264 -5.164 4.523 1.00 0.27 H new ATOM 0 HB THR A 36 15.428 -4.929 7.001 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.784 -2.452 6.614 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.877 -4.800 7.128 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.338 -5.772 5.737 1.00 0.39 H new ATOM 0 HG23 THR A 36 17.923 -4.109 5.488 1.00 0.39 H new ATOM 511 N TYR A 37 13.030 -4.562 6.035 1.00 0.26 N ATOM 512 CA TYR A 37 11.694 -4.113 6.393 1.00 0.27 C ATOM 513 C TYR A 37 11.777 -2.888 7.296 1.00 0.23 C ATOM 514 O TYR A 37 10.849 -2.098 7.356 1.00 0.23 O ATOM 515 CB TYR A 37 10.815 -5.216 7.015 1.00 0.38 C ATOM 516 CG TYR A 37 11.456 -6.077 8.081 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.243 -5.538 9.090 1.00 0.68 C ATOM 518 CD2 TYR A 37 11.240 -7.447 8.083 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.802 -6.341 10.064 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.795 -8.257 9.052 1.00 1.53 C ATOM 521 CZ TYR A 37 12.576 -7.700 10.039 1.00 1.12 C ATOM 522 OH TYR A 37 13.129 -8.507 11.008 1.00 1.50 O ATOM 0 H TYR A 37 13.310 -5.467 6.412 1.00 0.26 H new ATOM 0 HA TYR A 37 11.195 -3.840 5.464 1.00 0.27 H new ATOM 0 HB2 TYR A 37 9.931 -4.744 7.445 1.00 0.38 H new ATOM 0 HB3 TYR A 37 10.470 -5.868 6.213 1.00 0.38 H new ATOM 0 HD1 TYR A 37 12.421 -4.473 9.113 1.00 0.68 H new ATOM 0 HD2 TYR A 37 10.626 -7.888 7.312 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.413 -5.906 10.841 1.00 0.74 H new ATOM 0 HE2 TYR A 37 11.618 -9.322 9.036 1.00 1.53 H new ATOM 0 HH TYR A 37 12.871 -9.438 10.845 1.00 1.50 H new ATOM 532 N GLU A 38 12.912 -2.710 7.963 1.00 0.23 N ATOM 533 CA GLU A 38 13.135 -1.518 8.768 1.00 0.24 C ATOM 534 C GLU A 38 13.347 -0.311 7.863 1.00 0.24 C ATOM 535 O GLU A 38 12.739 0.739 8.065 1.00 0.26 O ATOM 536 CB GLU A 38 14.337 -1.697 9.692 1.00 0.29 C ATOM 537 CG GLU A 38 14.140 -2.759 10.759 1.00 0.35 C ATOM 538 CD GLU A 38 15.296 -2.812 11.732 1.00 0.67 C ATOM 539 OE1 GLU A 38 15.400 -1.919 12.596 1.00 0.93 O ATOM 540 OE2 GLU A 38 16.103 -3.759 11.645 1.00 0.96 O ATOM 0 H GLU A 38 13.687 -3.373 7.962 1.00 0.23 H new ATOM 0 HA GLU A 38 12.253 -1.354 9.386 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.209 -1.957 9.092 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.555 -0.745 10.176 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.218 -2.558 11.304 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.023 -3.733 10.283 1.00 0.35 H new ATOM 547 N ASP A 39 14.197 -0.476 6.850 1.00 0.24 N ATOM 548 CA ASP A 39 14.423 0.575 5.858 1.00 0.26 C ATOM 549 C ASP A 39 13.139 0.832 5.084 1.00 0.22 C ATOM 550 O ASP A 39 12.823 1.962 4.717 1.00 0.23 O ATOM 551 CB ASP A 39 15.532 0.179 4.874 1.00 0.31 C ATOM 552 CG ASP A 39 16.901 0.072 5.509 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.519 1.121 5.780 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.374 -1.063 5.727 1.00 0.82 O ATOM 0 H ASP A 39 14.740 -1.326 6.695 1.00 0.24 H new ATOM 0 HA ASP A 39 14.731 1.478 6.385 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.277 -0.778 4.419 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.571 0.914 4.070 1.00 0.31 H new ATOM 559 N ALA A 40 12.403 -0.242 4.855 1.00 0.19 N ATOM 560 CA ALA A 40 11.143 -0.187 4.127 1.00 0.18 C ATOM 561 C ALA A 40 10.082 0.543 4.938 1.00 0.16 C ATOM 562 O ALA A 40 9.391 1.419 4.423 1.00 0.17 O ATOM 563 CB ALA A 40 10.672 -1.592 3.776 1.00 0.18 C ATOM 0 H ALA A 40 12.661 -1.178 5.168 1.00 0.19 H new ATOM 0 HA ALA A 40 11.306 0.367 3.202 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.729 -1.534 3.232 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.421 -2.082 3.153 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.529 -2.167 4.691 1.00 0.18 H new ATOM 569 N ILE A 41 9.957 0.183 6.213 1.00 0.16 N ATOM 570 CA ILE A 41 9.025 0.861 7.104 1.00 0.18 C ATOM 571 C ILE A 41 9.421 2.315 7.259 1.00 0.20 C ATOM 572 O ILE A 41 8.565 3.196 7.319 1.00 0.21 O ATOM 573 CB ILE A 41 8.937 0.184 8.498 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.265 -1.187 8.388 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.176 1.066 9.482 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.163 -1.927 9.705 1.00 0.30 C ATOM 0 H ILE A 41 10.488 -0.571 6.649 1.00 0.16 H new ATOM 0 HA ILE A 41 8.037 0.793 6.649 1.00 0.18 H new ATOM 0 HB ILE A 41 9.952 0.047 8.872 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.264 -1.058 7.976 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.824 -1.799 7.681 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.127 0.571 10.452 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.691 2.021 9.588 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.166 1.237 9.111 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.676 -2.889 9.545 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.162 -2.089 10.110 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.578 -1.337 10.410 1.00 0.30 H new ATOM 588 N LYS A 42 10.724 2.571 7.265 1.00 0.22 N ATOM 589 CA LYS A 42 11.220 3.929 7.395 1.00 0.28 C ATOM 590 C LYS A 42 10.736 4.767 6.219 1.00 0.28 C ATOM 591 O LYS A 42 10.545 5.974 6.332 1.00 0.37 O ATOM 592 CB LYS A 42 12.748 3.958 7.443 1.00 0.31 C ATOM 593 CG LYS A 42 13.308 5.306 7.874 1.00 0.85 C ATOM 594 CD LYS A 42 14.760 5.482 7.460 1.00 1.14 C ATOM 595 CE LYS A 42 14.892 5.604 5.950 1.00 1.46 C ATOM 596 NZ LYS A 42 16.279 5.944 5.537 1.00 2.32 N ATOM 0 H LYS A 42 11.449 1.859 7.182 1.00 0.22 H new ATOM 0 HA LYS A 42 10.838 4.341 8.329 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.098 3.189 8.132 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.141 3.707 6.458 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.708 6.104 7.437 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.226 5.402 8.957 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.171 6.372 7.936 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.346 4.633 7.811 1.00 1.14 H new ATOM 0 HE2 LYS A 42 14.595 4.665 5.483 1.00 1.46 H new ATOM 0 HE3 LYS A 42 14.208 6.371 5.587 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 16.324 6.017 4.501 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 16.555 6.853 5.961 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 16.930 5.200 5.860 1.00 2.32 H new ATOM 610 N GLU A 43 10.526 4.100 5.095 1.00 0.22 N ATOM 611 CA GLU A 43 10.110 4.767 3.876 1.00 0.25 C ATOM 612 C GLU A 43 8.593 4.856 3.813 1.00 0.18 C ATOM 613 O GLU A 43 8.032 5.926 3.568 1.00 0.18 O ATOM 614 CB GLU A 43 10.667 4.031 2.654 1.00 0.33 C ATOM 615 CG GLU A 43 10.058 4.487 1.341 1.00 0.34 C ATOM 616 CD GLU A 43 10.877 4.081 0.138 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.055 2.867 -0.085 1.00 1.02 O ATOM 618 OE2 GLU A 43 11.357 4.982 -0.583 1.00 0.94 O ATOM 0 H GLU A 43 10.638 3.090 5.004 1.00 0.22 H new ATOM 0 HA GLU A 43 10.509 5.781 3.875 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.747 4.176 2.614 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.493 2.962 2.774 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.055 4.071 1.248 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.953 5.572 1.353 1.00 0.34 H new ATOM 625 N LEU A 44 7.932 3.730 4.065 1.00 0.16 N ATOM 626 CA LEU A 44 6.479 3.673 4.006 1.00 0.15 C ATOM 627 C LEU A 44 5.868 4.657 5.000 1.00 0.14 C ATOM 628 O LEU A 44 4.860 5.293 4.709 1.00 0.16 O ATOM 629 CB LEU A 44 5.968 2.257 4.296 1.00 0.13 C ATOM 630 CG LEU A 44 4.475 2.039 4.018 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.170 2.233 2.545 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.036 0.657 4.461 1.00 0.14 C ATOM 0 H LEU A 44 8.380 2.848 4.311 1.00 0.16 H new ATOM 0 HA LEU A 44 6.175 3.948 2.996 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.541 1.550 3.697 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.166 2.022 5.342 1.00 0.13 H new ATOM 0 HG LEU A 44 3.918 2.779 4.592 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.106 2.074 2.370 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.439 3.247 2.248 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.746 1.518 1.957 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.974 0.528 4.253 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.606 -0.097 3.918 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.212 0.545 5.531 1.00 0.14 H new ATOM 644 N GLN A 45 6.506 4.795 6.163 1.00 0.14 N ATOM 645 CA GLN A 45 6.015 5.689 7.210 1.00 0.14 C ATOM 646 C GLN A 45 6.121 7.154 6.809 1.00 0.17 C ATOM 647 O GLN A 45 5.425 8.002 7.367 1.00 0.27 O ATOM 648 CB GLN A 45 6.766 5.456 8.524 1.00 0.16 C ATOM 649 CG GLN A 45 6.193 4.321 9.358 1.00 0.22 C ATOM 650 CD GLN A 45 4.991 4.734 10.190 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.239 5.719 9.721 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 4.735 4.170 11.254 1.00 0.44 N flip ATOM 0 H GLN A 45 7.364 4.298 6.403 1.00 0.14 H new ATOM 0 HA GLN A 45 4.960 5.455 7.353 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.811 5.241 8.302 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.747 6.374 9.112 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.905 3.503 8.697 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.970 3.938 10.020 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.334 3.415 11.588 1.00 0.44 H new ATOM 0 HE22 GLN A 45 3.924 4.458 11.802 1.00 0.44 H new ATOM 661 N LYS A 46 6.987 7.457 5.856 1.00 0.14 N ATOM 662 CA LYS A 46 7.118 8.822 5.372 1.00 0.17 C ATOM 663 C LYS A 46 6.049 9.107 4.330 1.00 0.18 C ATOM 664 O LYS A 46 5.407 10.155 4.356 1.00 0.21 O ATOM 665 CB LYS A 46 8.509 9.065 4.782 1.00 0.22 C ATOM 666 CG LYS A 46 9.639 8.866 5.778 1.00 0.27 C ATOM 667 CD LYS A 46 10.994 9.141 5.147 1.00 0.39 C ATOM 668 CE LYS A 46 12.128 8.919 6.136 1.00 0.49 C ATOM 669 NZ LYS A 46 12.042 9.847 7.295 1.00 1.31 N ATOM 0 H LYS A 46 7.605 6.783 5.405 1.00 0.14 H new ATOM 0 HA LYS A 46 6.986 9.499 6.216 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.658 8.392 3.938 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.556 10.082 4.392 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.493 9.528 6.632 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.614 7.845 6.158 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.132 8.491 4.283 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.024 10.168 4.782 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.102 7.889 6.493 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.083 9.057 5.630 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.922 9.796 7.847 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.904 10.819 6.952 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.239 9.576 7.898 1.00 1.31 H new ATOM 683 N TRP A 47 5.855 8.167 3.415 1.00 0.16 N ATOM 684 CA TRP A 47 4.816 8.301 2.406 1.00 0.19 C ATOM 685 C TRP A 47 3.432 8.278 3.036 1.00 0.19 C ATOM 686 O TRP A 47 2.600 9.123 2.719 1.00 0.22 O ATOM 687 CB TRP A 47 4.953 7.212 1.343 1.00 0.20 C ATOM 688 CG TRP A 47 6.284 7.266 0.671 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.197 6.260 0.573 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.868 8.406 0.032 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.315 6.704 -0.087 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.136 8.018 -0.429 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.439 9.717 -0.197 1.00 0.41 C ATOM 694 CZ2 TRP A 47 8.980 8.893 -1.097 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.280 10.584 -0.865 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.539 10.168 -1.308 1.00 0.52 C ATOM 0 H TRP A 47 6.401 7.308 3.351 1.00 0.16 H new ATOM 0 HA TRP A 47 4.941 9.268 1.920 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.817 6.234 1.804 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.164 7.327 0.600 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.061 5.260 0.958 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.144 6.146 -0.290 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.468 10.045 0.142 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 9.954 8.576 -1.439 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 6.961 11.599 -1.048 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.176 10.869 -1.827 1.00 0.52 H new ATOM 707 N SER A 48 3.194 7.346 3.954 1.00 0.17 N ATOM 708 CA SER A 48 1.910 7.276 4.636 1.00 0.19 C ATOM 709 C SER A 48 1.708 8.523 5.491 1.00 0.20 C ATOM 710 O SER A 48 0.584 8.865 5.854 1.00 0.28 O ATOM 711 CB SER A 48 1.799 5.996 5.485 1.00 0.23 C ATOM 712 OG SER A 48 2.708 5.986 6.578 1.00 0.82 O ATOM 0 H SER A 48 3.868 6.636 4.240 1.00 0.17 H new ATOM 0 HA SER A 48 1.120 7.236 3.886 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.781 5.902 5.863 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.986 5.128 4.853 1.00 0.23 H new ATOM 0 HG SER A 48 2.599 5.156 7.087 1.00 0.82 H new ATOM 718 N GLN A 49 2.810 9.198 5.810 1.00 0.17 N ATOM 719 CA GLN A 49 2.747 10.473 6.503 1.00 0.17 C ATOM 720 C GLN A 49 2.336 11.562 5.527 1.00 0.18 C ATOM 721 O GLN A 49 1.345 12.249 5.734 1.00 0.21 O ATOM 722 CB GLN A 49 4.104 10.844 7.103 1.00 0.19 C ATOM 723 CG GLN A 49 4.011 11.944 8.149 1.00 0.23 C ATOM 724 CD GLN A 49 5.269 12.781 8.249 1.00 0.36 C ATOM 725 OE1 GLN A 49 5.895 13.055 7.118 1.00 0.53 O flip ATOM 726 NE2 GLN A 49 5.640 13.235 9.331 1.00 0.45 N flip ATOM 0 H GLN A 49 3.755 8.879 5.598 1.00 0.17 H new ATOM 0 HA GLN A 49 2.017 10.383 7.307 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.550 9.958 7.555 1.00 0.19 H new ATOM 0 HB3 GLN A 49 4.772 11.165 6.304 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.169 12.593 7.910 1.00 0.23 H new ATOM 0 HG3 GLN A 49 3.803 11.496 9.120 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.131 13.001 10.184 1.00 0.45 H new ATOM 0 HE22 GLN A 49 6.456 13.845 9.375 1.00 0.45 H new ATOM 735 N ARG A 50 3.109 11.696 4.452 1.00 0.16 N ATOM 736 CA ARG A 50 2.890 12.746 3.461 1.00 0.16 C ATOM 737 C ARG A 50 1.509 12.645 2.825 1.00 0.14 C ATOM 738 O ARG A 50 0.838 13.654 2.624 1.00 0.15 O ATOM 739 CB ARG A 50 3.948 12.685 2.367 1.00 0.15 C ATOM 740 CG ARG A 50 5.357 12.983 2.836 1.00 0.19 C ATOM 741 CD ARG A 50 6.332 12.874 1.681 1.00 0.20 C ATOM 742 NE ARG A 50 7.695 13.217 2.069 1.00 0.27 N ATOM 743 CZ ARG A 50 8.651 13.554 1.206 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.383 13.633 -0.093 1.00 0.35 N ATOM 745 NH2 ARG A 50 9.870 13.824 1.647 1.00 0.42 N ATOM 0 H ARG A 50 3.899 11.085 4.244 1.00 0.16 H new ATOM 0 HA ARG A 50 2.961 13.698 3.988 1.00 0.16 H new ATOM 0 HB2 ARG A 50 3.931 11.692 1.918 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.682 13.394 1.583 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.401 13.985 3.264 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.639 12.287 3.626 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.314 11.857 1.289 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.010 13.533 0.874 1.00 0.20 H new ATOM 0 HE ARG A 50 7.930 13.198 3.061 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.442 13.435 -0.432 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.119 13.892 -0.751 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.074 13.773 2.645 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.605 14.083 0.989 1.00 0.42 H new ATOM 759 N ILE A 51 1.104 11.429 2.491 1.00 0.13 N ATOM 760 CA ILE A 51 -0.218 11.187 1.929 1.00 0.13 C ATOM 761 C ILE A 51 -1.309 11.626 2.911 1.00 0.16 C ATOM 762 O ILE A 51 -2.364 12.121 2.508 1.00 0.20 O ATOM 763 CB ILE A 51 -0.395 9.692 1.574 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.608 9.272 0.494 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.814 9.410 1.108 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.602 7.785 0.204 1.00 0.13 C ATOM 0 H ILE A 51 1.674 10.590 2.600 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.311 11.775 1.016 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.205 9.108 2.475 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.387 9.814 -0.426 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.610 9.569 0.805 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.913 8.352 0.864 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.515 9.667 1.902 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.032 10.008 0.223 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.336 7.562 -0.570 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.854 7.236 1.112 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.388 7.485 -0.139 1.00 0.13 H new ATOM 778 N ALA A 52 -1.031 11.472 4.200 1.00 0.16 N ATOM 779 CA ALA A 52 -1.980 11.838 5.243 1.00 0.20 C ATOM 780 C ALA A 52 -1.938 13.340 5.531 1.00 0.22 C ATOM 781 O ALA A 52 -2.975 13.965 5.761 1.00 0.27 O ATOM 782 CB ALA A 52 -1.691 11.045 6.510 1.00 0.21 C ATOM 0 H ALA A 52 -0.150 11.094 4.549 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.983 11.596 4.891 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.405 11.324 7.285 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.781 9.979 6.301 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.680 11.263 6.853 1.00 0.21 H new ATOM 788 N SER A 53 -0.740 13.911 5.514 1.00 0.22 N ATOM 789 CA SER A 53 -0.555 15.329 5.797 1.00 0.26 C ATOM 790 C SER A 53 -0.982 16.189 4.607 1.00 0.28 C ATOM 791 O SER A 53 -1.429 17.325 4.773 1.00 0.35 O ATOM 792 CB SER A 53 0.911 15.599 6.156 1.00 0.28 C ATOM 793 OG SER A 53 1.783 15.062 5.172 1.00 0.26 O ATOM 0 H SER A 53 0.124 13.410 5.306 1.00 0.22 H new ATOM 0 HA SER A 53 -1.186 15.598 6.644 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.075 16.673 6.246 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.138 15.160 7.127 1.00 0.28 H new ATOM 0 HG SER A 53 2.700 15.357 5.352 1.00 0.26 H new ATOM 799 N GLY A 54 -0.853 15.636 3.409 1.00 0.25 N ATOM 800 CA GLY A 54 -1.230 16.358 2.214 1.00 0.28 C ATOM 801 C GLY A 54 -0.022 16.827 1.431 1.00 0.26 C ATOM 802 O GLY A 54 -0.156 17.562 0.451 1.00 0.30 O ATOM 0 H GLY A 54 -0.492 14.696 3.245 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.845 15.718 1.582 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.841 17.218 2.487 1.00 0.28 H new ATOM 806 N GLU A 55 1.160 16.402 1.867 1.00 0.23 N ATOM 807 CA GLU A 55 2.402 16.757 1.190 1.00 0.23 C ATOM 808 C GLU A 55 2.420 16.181 -0.225 1.00 0.20 C ATOM 809 O GLU A 55 2.764 16.873 -1.183 1.00 0.24 O ATOM 810 CB GLU A 55 3.601 16.257 1.996 1.00 0.24 C ATOM 811 CG GLU A 55 3.716 16.912 3.363 1.00 0.42 C ATOM 812 CD GLU A 55 4.819 16.321 4.215 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.007 16.543 3.895 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.506 15.635 5.212 1.00 0.65 O ATOM 0 H GLU A 55 1.283 15.810 2.688 1.00 0.23 H new ATOM 0 HA GLU A 55 2.466 17.843 1.115 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.521 15.177 2.123 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.514 16.445 1.432 1.00 0.24 H new ATOM 0 HG2 GLU A 55 3.897 17.979 3.234 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.766 16.812 3.888 1.00 0.42 H new ATOM 821 N VAL A 56 2.039 14.919 -0.347 1.00 0.17 N ATOM 822 CA VAL A 56 1.855 14.291 -1.650 1.00 0.15 C ATOM 823 C VAL A 56 0.582 13.466 -1.641 1.00 0.15 C ATOM 824 O VAL A 56 0.116 13.046 -0.583 1.00 0.19 O ATOM 825 CB VAL A 56 3.034 13.378 -2.068 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.263 14.199 -2.420 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.364 12.367 -0.985 1.00 0.15 C ATOM 0 H VAL A 56 1.850 14.305 0.445 1.00 0.17 H new ATOM 0 HA VAL A 56 1.799 15.102 -2.376 1.00 0.15 H new ATOM 0 HB VAL A 56 2.721 12.830 -2.957 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.075 13.532 -2.710 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.029 14.867 -3.249 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.568 14.787 -1.554 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.196 11.743 -1.311 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.641 12.891 -0.070 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.493 11.740 -0.795 1.00 0.15 H new ATOM 837 N SER A 57 0.020 13.249 -2.813 1.00 0.13 N ATOM 838 CA SER A 57 -1.174 12.445 -2.934 1.00 0.15 C ATOM 839 C SER A 57 -0.792 10.978 -2.979 1.00 0.15 C ATOM 840 O SER A 57 0.359 10.652 -3.285 1.00 0.18 O ATOM 841 CB SER A 57 -1.944 12.834 -4.196 1.00 0.22 C ATOM 842 OG SER A 57 -2.119 14.239 -4.270 1.00 0.97 O ATOM 0 H SER A 57 0.373 13.620 -3.695 1.00 0.13 H new ATOM 0 HA SER A 57 -1.817 12.620 -2.071 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.406 12.484 -5.077 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.917 12.342 -4.199 1.00 0.22 H new ATOM 0 HG SER A 57 -1.269 14.662 -4.512 1.00 0.97 H new ATOM 848 N PHE A 58 -1.732 10.097 -2.675 1.00 0.16 N ATOM 849 CA PHE A 58 -1.453 8.672 -2.689 1.00 0.16 C ATOM 850 C PHE A 58 -0.924 8.269 -4.062 1.00 0.18 C ATOM 851 O PHE A 58 0.031 7.500 -4.172 1.00 0.19 O ATOM 852 CB PHE A 58 -2.714 7.879 -2.345 1.00 0.18 C ATOM 853 CG PHE A 58 -2.436 6.548 -1.707 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.819 5.540 -2.421 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.798 6.310 -0.392 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.565 4.318 -1.838 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.546 5.089 0.199 1.00 0.21 C ATOM 858 CZ PHE A 58 -1.929 4.092 -0.525 1.00 0.22 C ATOM 0 H PHE A 58 -2.688 10.342 -2.417 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.696 8.448 -1.937 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.333 8.472 -1.672 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.293 7.722 -3.255 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.532 5.712 -3.448 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.283 7.089 0.178 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.082 3.538 -2.407 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.831 4.915 1.226 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.730 3.135 -0.066 1.00 0.22 H new ATOM 868 N GLU A 59 -1.533 8.842 -5.098 1.00 0.20 N ATOM 869 CA GLU A 59 -1.140 8.599 -6.485 1.00 0.22 C ATOM 870 C GLU A 59 0.355 8.824 -6.690 1.00 0.24 C ATOM 871 O GLU A 59 1.053 7.967 -7.236 1.00 0.31 O ATOM 872 CB GLU A 59 -1.912 9.536 -7.418 1.00 0.27 C ATOM 873 CG GLU A 59 -3.419 9.441 -7.277 1.00 0.36 C ATOM 874 CD GLU A 59 -4.146 10.498 -8.080 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.362 11.608 -7.553 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.510 10.224 -9.243 1.00 1.72 O ATOM 0 H GLU A 59 -2.315 9.490 -4.999 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.372 7.559 -6.715 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.603 10.563 -7.222 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.639 9.312 -8.449 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.749 8.454 -7.600 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.689 9.539 -6.225 1.00 0.36 H new ATOM 883 N GLU A 60 0.838 9.975 -6.226 1.00 0.23 N ATOM 884 CA GLU A 60 2.213 10.391 -6.470 1.00 0.24 C ATOM 885 C GLU A 60 3.206 9.417 -5.851 1.00 0.23 C ATOM 886 O GLU A 60 4.167 9.003 -6.498 1.00 0.26 O ATOM 887 CB GLU A 60 2.437 11.799 -5.922 1.00 0.25 C ATOM 888 CG GLU A 60 1.489 12.826 -6.518 1.00 0.29 C ATOM 889 CD GLU A 60 1.621 14.188 -5.875 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.562 14.927 -6.229 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.790 14.521 -5.008 1.00 2.09 O ATOM 0 H GLU A 60 0.292 10.638 -5.676 1.00 0.23 H new ATOM 0 HA GLU A 60 2.380 10.395 -7.547 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.315 11.785 -4.839 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.465 12.102 -6.123 1.00 0.25 H new ATOM 0 HG2 GLU A 60 1.681 12.914 -7.587 1.00 0.29 H new ATOM 0 HG3 GLU A 60 0.463 12.475 -6.407 1.00 0.29 H new ATOM 898 N ALA A 61 2.969 9.043 -4.604 1.00 0.22 N ATOM 899 CA ALA A 61 3.856 8.121 -3.916 1.00 0.23 C ATOM 900 C ALA A 61 3.727 6.711 -4.482 1.00 0.22 C ATOM 901 O ALA A 61 4.722 6.019 -4.678 1.00 0.26 O ATOM 902 CB ALA A 61 3.575 8.126 -2.422 1.00 0.24 C ATOM 0 H ALA A 61 2.174 9.362 -4.050 1.00 0.22 H new ATOM 0 HA ALA A 61 4.881 8.455 -4.077 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.249 7.430 -1.923 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.731 9.129 -2.026 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.543 7.823 -2.245 1.00 0.24 H new ATOM 908 N ALA A 62 2.498 6.300 -4.771 1.00 0.20 N ATOM 909 CA ALA A 62 2.233 4.950 -5.257 1.00 0.20 C ATOM 910 C ALA A 62 2.871 4.704 -6.621 1.00 0.21 C ATOM 911 O ALA A 62 3.500 3.674 -6.839 1.00 0.24 O ATOM 912 CB ALA A 62 0.736 4.696 -5.323 1.00 0.20 C ATOM 0 H ALA A 62 1.667 6.884 -4.677 1.00 0.20 H new ATOM 0 HA ALA A 62 2.683 4.252 -4.551 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.554 3.685 -5.687 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.304 4.806 -4.328 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.275 5.414 -6.001 1.00 0.20 H new ATOM 918 N SER A 63 2.706 5.654 -7.525 1.00 0.21 N ATOM 919 CA SER A 63 3.219 5.536 -8.887 1.00 0.23 C ATOM 920 C SER A 63 4.731 5.285 -8.929 1.00 0.24 C ATOM 921 O SER A 63 5.239 4.674 -9.873 1.00 0.27 O ATOM 922 CB SER A 63 2.861 6.799 -9.673 1.00 0.26 C ATOM 923 OG SER A 63 3.381 6.768 -10.991 1.00 1.00 O ATOM 0 H SER A 63 2.214 6.528 -7.340 1.00 0.21 H new ATOM 0 HA SER A 63 2.749 4.666 -9.346 1.00 0.23 H new ATOM 0 HB2 SER A 63 1.777 6.906 -9.713 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.249 7.674 -9.151 1.00 0.26 H new ATOM 0 HG SER A 63 3.130 7.590 -11.461 1.00 1.00 H new ATOM 929 N GLN A 64 5.450 5.741 -7.914 1.00 0.24 N ATOM 930 CA GLN A 64 6.895 5.607 -7.907 1.00 0.27 C ATOM 931 C GLN A 64 7.325 4.511 -6.953 1.00 0.26 C ATOM 932 O GLN A 64 8.112 3.635 -7.299 1.00 0.29 O ATOM 933 CB GLN A 64 7.531 6.927 -7.483 1.00 0.31 C ATOM 934 CG GLN A 64 6.968 8.113 -8.240 1.00 0.35 C ATOM 935 CD GLN A 64 7.469 9.446 -7.727 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.534 9.925 -8.128 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.688 10.075 -6.865 1.00 0.35 N ATOM 0 H GLN A 64 5.059 6.203 -7.093 1.00 0.24 H new ATOM 0 HA GLN A 64 7.224 5.346 -8.913 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.375 7.075 -6.414 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.608 6.876 -7.644 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.226 8.017 -9.295 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.880 8.093 -8.175 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.816 9.644 -6.559 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.958 10.991 -6.506 1.00 0.35 H new ATOM 946 N ARG A 65 6.781 4.567 -5.755 1.00 0.26 N ATOM 947 CA ARG A 65 7.243 3.727 -4.661 1.00 0.28 C ATOM 948 C ARG A 65 6.536 2.377 -4.601 1.00 0.27 C ATOM 949 O ARG A 65 7.178 1.355 -4.355 1.00 0.32 O ATOM 950 CB ARG A 65 7.067 4.483 -3.351 1.00 0.33 C ATOM 951 CG ARG A 65 7.736 5.848 -3.369 1.00 0.37 C ATOM 952 CD ARG A 65 9.213 5.724 -3.711 1.00 0.43 C ATOM 953 NE ARG A 65 9.977 6.933 -3.413 1.00 0.58 N ATOM 954 CZ ARG A 65 10.766 7.561 -4.289 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.844 7.144 -5.547 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.474 8.616 -3.905 1.00 0.86 N ATOM 0 H ARG A 65 6.012 5.190 -5.510 1.00 0.26 H new ATOM 0 HA ARG A 65 8.296 3.505 -4.834 1.00 0.28 H new ATOM 0 HB2 ARG A 65 6.003 4.607 -3.147 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.481 3.890 -2.535 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.242 6.490 -4.099 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.623 6.326 -2.396 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.638 4.887 -3.157 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.315 5.489 -4.771 1.00 0.43 H new ATOM 0 HE ARG A 65 9.903 7.324 -2.474 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.299 6.338 -5.852 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.449 7.630 -6.209 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.415 8.946 -2.942 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.077 9.096 -4.573 1.00 0.86 H new ATOM 970 N SER A 66 5.227 2.373 -4.814 1.00 0.25 N ATOM 971 CA SER A 66 4.443 1.143 -4.728 1.00 0.25 C ATOM 972 C SER A 66 4.922 0.112 -5.744 1.00 0.23 C ATOM 973 O SER A 66 4.940 0.375 -6.943 1.00 0.24 O ATOM 974 CB SER A 66 2.956 1.429 -4.957 1.00 0.24 C ATOM 975 OG SER A 66 2.162 0.276 -4.724 1.00 0.82 O ATOM 0 H SER A 66 4.684 3.205 -5.047 1.00 0.25 H new ATOM 0 HA SER A 66 4.581 0.739 -3.725 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.633 2.234 -4.296 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.804 1.776 -5.979 1.00 0.24 H new ATOM 0 HG SER A 66 1.218 0.492 -4.877 1.00 0.82 H new ATOM 981 N ASP A 67 5.312 -1.058 -5.251 1.00 0.25 N ATOM 982 CA ASP A 67 5.721 -2.150 -6.122 1.00 0.28 C ATOM 983 C ASP A 67 4.501 -2.876 -6.684 1.00 0.31 C ATOM 984 O ASP A 67 4.611 -3.722 -7.569 1.00 0.48 O ATOM 985 CB ASP A 67 6.635 -3.135 -5.386 1.00 0.39 C ATOM 986 CG ASP A 67 7.070 -4.293 -6.270 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.655 -4.042 -7.341 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.840 -5.456 -5.888 1.00 2.28 O ATOM 0 H ASP A 67 5.353 -1.273 -4.255 1.00 0.25 H new ATOM 0 HA ASP A 67 6.285 -1.721 -6.950 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.517 -2.607 -5.024 1.00 0.39 H new ATOM 0 HB3 ASP A 67 6.115 -3.525 -4.511 1.00 0.39 H new ATOM 993 N CYS A 68 3.330 -2.519 -6.187 1.00 0.24 N ATOM 994 CA CYS A 68 2.096 -3.107 -6.675 1.00 0.26 C ATOM 995 C CYS A 68 1.723 -2.499 -8.012 1.00 0.27 C ATOM 996 O CYS A 68 2.164 -1.403 -8.362 1.00 0.38 O ATOM 997 CB CYS A 68 0.960 -2.884 -5.683 1.00 0.29 C ATOM 998 SG CYS A 68 0.721 -4.215 -4.486 1.00 1.52 S ATOM 0 H CYS A 68 3.208 -1.827 -5.448 1.00 0.24 H new ATOM 0 HA CYS A 68 2.255 -4.179 -6.793 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.148 -1.957 -5.141 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.033 -2.745 -6.240 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.239 -4.994 -4.889 1.00 1.52 H new ATOM 1004 N GLY A 69 0.871 -3.213 -8.727 1.00 0.26 N ATOM 1005 CA GLY A 69 0.541 -2.861 -10.094 1.00 0.25 C ATOM 1006 C GLY A 69 -0.238 -1.570 -10.188 1.00 0.22 C ATOM 1007 O GLY A 69 -0.401 -1.011 -11.274 1.00 0.25 O ATOM 0 H GLY A 69 0.393 -4.045 -8.379 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.459 -2.770 -10.674 1.00 0.25 H new ATOM 0 HA3 GLY A 69 -0.041 -3.666 -10.543 1.00 0.25 H new ATOM 1011 N SER A 70 -0.704 -1.087 -9.047 1.00 0.21 N ATOM 1012 CA SER A 70 -1.462 0.144 -8.989 1.00 0.24 C ATOM 1013 C SER A 70 -0.557 1.370 -9.156 1.00 0.22 C ATOM 1014 O SER A 70 -1.049 2.494 -9.237 1.00 0.25 O ATOM 1015 CB SER A 70 -2.230 0.205 -7.669 1.00 0.31 C ATOM 1016 OG SER A 70 -1.341 0.126 -6.563 1.00 0.32 O ATOM 0 H SER A 70 -0.566 -1.537 -8.142 1.00 0.21 H new ATOM 0 HA SER A 70 -2.171 0.157 -9.817 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.800 1.133 -7.617 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.948 -0.614 -7.623 1.00 0.31 H new ATOM 0 HG SER A 70 -1.828 0.327 -5.737 1.00 0.32 H new ATOM 1022 N TYR A 71 0.764 1.157 -9.208 1.00 0.20 N ATOM 1023 CA TYR A 71 1.708 2.250 -9.471 1.00 0.20 C ATOM 1024 C TYR A 71 1.335 2.963 -10.774 1.00 0.22 C ATOM 1025 O TYR A 71 1.411 4.184 -10.874 1.00 0.29 O ATOM 1026 CB TYR A 71 3.167 1.739 -9.551 1.00 0.21 C ATOM 1027 CG TYR A 71 3.513 1.002 -10.832 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.073 -0.295 -11.057 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.283 1.612 -11.815 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.387 -0.964 -12.224 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.601 0.950 -12.985 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.150 -0.337 -13.186 1.00 0.43 C ATOM 1033 OH TYR A 71 4.461 -0.999 -14.353 1.00 0.54 O ATOM 0 H TYR A 71 1.201 0.245 -9.073 1.00 0.20 H new ATOM 0 HA TYR A 71 1.644 2.951 -8.639 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.841 2.589 -9.444 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.352 1.076 -8.706 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.475 -0.790 -10.306 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.639 2.620 -11.662 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.037 -1.973 -12.382 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.200 1.439 -13.739 1.00 0.44 H new ATOM 0 HH TYR A 71 5.004 -0.417 -14.925 1.00 0.54 H new ATOM 1043 N ALA A 72 0.893 2.189 -11.759 1.00 0.24 N ATOM 1044 CA ALA A 72 0.540 2.736 -13.059 1.00 0.30 C ATOM 1045 C ALA A 72 -0.955 3.011 -13.136 1.00 0.36 C ATOM 1046 O ALA A 72 -1.484 3.341 -14.193 1.00 0.49 O ATOM 1047 CB ALA A 72 0.965 1.779 -14.163 1.00 0.38 C ATOM 0 H ALA A 72 0.771 1.179 -11.679 1.00 0.24 H new ATOM 0 HA ALA A 72 1.067 3.680 -13.194 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.696 2.199 -15.132 1.00 0.38 H new ATOM 0 HB2 ALA A 72 2.044 1.629 -14.120 1.00 0.38 H new ATOM 0 HB3 ALA A 72 0.460 0.822 -14.029 1.00 0.38 H new ATOM 1053 N SER A 73 -1.630 2.866 -12.006 1.00 0.32 N ATOM 1054 CA SER A 73 -3.069 3.055 -11.953 1.00 0.44 C ATOM 1055 C SER A 73 -3.430 4.275 -11.108 1.00 0.49 C ATOM 1056 O SER A 73 -4.556 4.762 -11.160 1.00 0.71 O ATOM 1057 CB SER A 73 -3.724 1.803 -11.372 1.00 0.47 C ATOM 1058 OG SER A 73 -3.152 0.630 -11.930 1.00 0.62 O ATOM 0 H SER A 73 -1.203 2.618 -11.114 1.00 0.32 H new ATOM 0 HA SER A 73 -3.436 3.225 -12.965 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.602 1.793 -10.289 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.795 1.821 -11.572 1.00 0.47 H new ATOM 0 HG SER A 73 -3.491 -0.157 -11.455 1.00 0.62 H new ATOM 1064 N GLY A 74 -2.469 4.764 -10.334 1.00 0.41 N ATOM 1065 CA GLY A 74 -2.724 5.892 -9.456 1.00 0.54 C ATOM 1066 C GLY A 74 -2.880 5.469 -8.010 1.00 0.45 C ATOM 1067 O GLY A 74 -3.363 6.234 -7.173 1.00 0.49 O ATOM 0 H GLY A 74 -1.517 4.400 -10.298 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -1.904 6.606 -9.537 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -3.628 6.406 -9.782 1.00 0.54 H new ATOM 1071 N GLY A 75 -2.479 4.242 -7.717 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.568 3.731 -6.364 1.00 0.32 C ATOM 1073 C GLY A 75 -3.902 3.076 -6.081 1.00 0.20 C ATOM 1074 O GLY A 75 -3.981 2.123 -5.300 1.00 0.21 O ATOM 0 H GLY A 75 -2.091 3.587 -8.396 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.769 3.008 -6.198 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -2.410 4.547 -5.659 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.944 3.571 -6.732 1.00 0.35 N ATOM 1079 CA ASP A 76 -6.294 3.089 -6.493 1.00 0.39 C ATOM 1080 C ASP A 76 -6.589 1.863 -7.325 1.00 0.32 C ATOM 1081 O ASP A 76 -6.116 1.720 -8.453 1.00 0.36 O ATOM 1082 CB ASP A 76 -7.344 4.166 -6.777 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.366 4.613 -8.221 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -6.448 5.358 -8.630 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.291 4.217 -8.958 1.00 0.80 O ATOM 0 H ASP A 76 -4.879 4.309 -7.433 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.350 2.827 -5.437 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -8.329 3.784 -6.507 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -7.151 5.029 -6.140 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.358 0.974 -6.737 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.786 -0.234 -7.401 1.00 0.30 C ATOM 1092 C LEU A 77 -9.255 -0.127 -7.778 1.00 0.32 C ATOM 1093 O LEU A 77 -9.902 0.880 -7.488 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.526 -1.441 -6.502 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.452 -2.409 -7.004 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.211 -1.657 -7.471 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.095 -3.406 -5.909 1.00 0.94 C ATOM 0 H LEU A 77 -7.704 1.070 -5.782 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.214 -0.368 -8.319 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.236 -1.082 -5.514 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.459 -1.991 -6.380 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.852 -2.953 -7.859 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.465 -2.369 -7.822 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.479 -0.982 -8.284 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.801 -1.081 -6.641 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.330 -4.091 -6.276 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.716 -2.870 -5.039 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -6.983 -3.971 -5.628 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.762 -1.140 -8.448 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.132 -1.113 -8.913 1.00 0.39 C ATOM 1111 C GLY A 78 -12.108 -1.693 -7.912 1.00 0.34 C ATOM 1112 O GLY A 78 -12.152 -1.268 -6.756 1.00 0.44 O ATOM 0 H GLY A 78 -9.248 -1.989 -8.682 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.415 -0.084 -9.133 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.204 -1.670 -9.847 1.00 0.39 H new ATOM 1116 N PHE A 79 -12.887 -2.669 -8.358 1.00 0.47 N ATOM 1117 CA PHE A 79 -13.906 -3.279 -7.520 1.00 0.46 C ATOM 1118 C PHE A 79 -13.404 -4.584 -6.914 1.00 0.45 C ATOM 1119 O PHE A 79 -12.772 -5.398 -7.589 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.192 -3.519 -8.327 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.033 -4.480 -9.479 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -14.462 -4.064 -10.671 1.00 1.73 C ATOM 1123 CD2 PHE A 79 -15.452 -5.797 -9.367 1.00 2.78 C ATOM 1124 CE1 PHE A 79 -14.313 -4.942 -11.728 1.00 2.78 C ATOM 1125 CE2 PHE A 79 -15.305 -6.678 -10.421 1.00 3.87 C ATOM 1126 CZ PHE A 79 -14.745 -6.251 -11.603 1.00 3.85 C ATOM 0 H PHE A 79 -12.831 -3.056 -9.300 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.131 -2.592 -6.704 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.962 -3.899 -7.656 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -15.548 -2.564 -8.713 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -14.129 -3.042 -10.775 1.00 1.73 H new ATOM 0 HD2 PHE A 79 -15.899 -6.138 -8.445 1.00 2.78 H new ATOM 0 HE1 PHE A 79 -13.860 -4.607 -12.650 1.00 2.78 H new ATOM 0 HE2 PHE A 79 -15.630 -7.703 -10.317 1.00 3.87 H new ATOM 0 HZ PHE A 79 -14.643 -6.936 -12.432 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.683 -4.766 -5.635 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.293 -5.965 -4.912 1.00 0.45 C ATOM 1138 C PHE A 80 -14.161 -6.103 -3.679 1.00 0.46 C ATOM 1139 O PHE A 80 -14.546 -5.107 -3.082 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.811 -5.916 -4.524 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.343 -4.572 -4.033 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.667 -4.145 -2.756 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.591 -3.731 -4.841 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.252 -2.913 -2.300 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.179 -2.494 -4.377 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.452 -2.102 -3.145 1.00 1.31 C ATOM 0 H PHE A 80 -14.187 -4.085 -5.067 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.435 -6.832 -5.557 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.626 -6.658 -3.747 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.212 -6.203 -5.388 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.251 -4.785 -2.111 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.325 -4.044 -5.840 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.531 -2.570 -1.315 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.625 -1.838 -5.033 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.065 -1.162 -2.781 1.00 1.31 H new ATOM 1156 N SER A 81 -14.493 -7.319 -3.307 1.00 0.50 N ATOM 1157 CA SER A 81 -15.357 -7.534 -2.164 1.00 0.55 C ATOM 1158 C SER A 81 -14.532 -7.762 -0.909 1.00 0.52 C ATOM 1159 O SER A 81 -13.372 -8.170 -0.978 1.00 0.54 O ATOM 1160 CB SER A 81 -16.296 -8.706 -2.434 1.00 0.69 C ATOM 1161 OG SER A 81 -15.613 -9.769 -3.080 1.00 1.17 O ATOM 0 H SER A 81 -14.181 -8.170 -3.775 1.00 0.50 H new ATOM 0 HA SER A 81 -15.964 -6.643 -2.002 1.00 0.55 H new ATOM 0 HB2 SER A 81 -16.720 -9.060 -1.494 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.128 -8.374 -3.055 1.00 0.69 H new ATOM 0 HG SER A 81 -16.236 -10.508 -3.240 1.00 1.17 H new ATOM 1167 N SER A 82 -15.122 -7.455 0.236 1.00 0.59 N ATOM 1168 CA SER A 82 -14.448 -7.633 1.505 1.00 0.63 C ATOM 1169 C SER A 82 -14.183 -9.114 1.755 1.00 0.59 C ATOM 1170 O SER A 82 -15.108 -9.899 1.972 1.00 0.63 O ATOM 1171 CB SER A 82 -15.300 -7.030 2.620 1.00 0.77 C ATOM 1172 OG SER A 82 -15.667 -5.697 2.293 1.00 1.19 O ATOM 0 H SER A 82 -16.068 -7.081 0.308 1.00 0.59 H new ATOM 0 HA SER A 82 -13.486 -7.120 1.485 1.00 0.63 H new ATOM 0 HB2 SER A 82 -16.195 -7.634 2.771 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.745 -7.042 3.558 1.00 0.77 H new ATOM 0 HG SER A 82 -16.214 -5.322 3.014 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.910 -9.482 1.720 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.522 -10.872 1.830 1.00 0.62 C ATOM 1180 C GLY A 83 -11.903 -11.379 0.541 1.00 0.64 C ATOM 1181 O GLY A 83 -11.593 -12.563 0.412 1.00 0.79 O ATOM 0 H GLY A 83 -12.131 -8.832 1.616 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.810 -10.989 2.647 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.395 -11.476 2.078 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.718 -10.475 -0.416 1.00 0.58 N ATOM 1186 CA GLU A 84 -11.179 -10.829 -1.724 1.00 0.62 C ATOM 1187 C GLU A 84 -9.780 -10.226 -1.906 1.00 0.58 C ATOM 1188 O GLU A 84 -9.379 -9.852 -3.009 1.00 0.87 O ATOM 1189 CB GLU A 84 -12.141 -10.332 -2.811 1.00 0.73 C ATOM 1190 CG GLU A 84 -11.880 -10.900 -4.195 1.00 1.17 C ATOM 1191 CD GLU A 84 -12.852 -10.363 -5.225 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.817 -9.149 -5.508 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -13.663 -11.152 -5.755 1.00 1.43 O ATOM 0 H GLU A 84 -11.936 -9.484 -0.308 1.00 0.58 H new ATOM 0 HA GLU A 84 -11.083 -11.912 -1.803 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -13.161 -10.581 -2.517 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -12.081 -9.245 -2.862 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -10.861 -10.659 -4.499 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -11.954 -11.987 -4.160 1.00 1.17 H new ATOM 1200 N MET A 85 -9.041 -10.125 -0.808 1.00 0.47 N ATOM 1201 CA MET A 85 -7.683 -9.590 -0.836 1.00 0.44 C ATOM 1202 C MET A 85 -6.764 -10.434 0.042 1.00 0.47 C ATOM 1203 O MET A 85 -6.627 -11.641 -0.161 1.00 0.73 O ATOM 1204 CB MET A 85 -7.662 -8.134 -0.354 1.00 0.39 C ATOM 1205 CG MET A 85 -8.238 -7.133 -1.337 1.00 0.37 C ATOM 1206 SD MET A 85 -7.236 -6.987 -2.831 1.00 0.39 S ATOM 1207 CE MET A 85 -8.125 -5.714 -3.720 1.00 0.39 C ATOM 0 H MET A 85 -9.361 -10.408 0.118 1.00 0.47 H new ATOM 0 HA MET A 85 -7.327 -9.624 -1.866 1.00 0.44 H new ATOM 0 HB2 MET A 85 -8.219 -8.067 0.581 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.632 -7.854 -0.132 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.250 -7.435 -1.609 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.314 -6.158 -0.856 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.261 -6.022 -4.757 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.099 -5.559 -3.256 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.557 -4.784 -3.689 1.00 0.39 H new ATOM 1217 N MET A 86 -6.143 -9.794 1.021 1.00 0.33 N ATOM 1218 CA MET A 86 -5.332 -10.485 2.008 1.00 0.35 C ATOM 1219 C MET A 86 -5.908 -10.200 3.381 1.00 0.40 C ATOM 1220 O MET A 86 -6.565 -9.173 3.560 1.00 0.76 O ATOM 1221 CB MET A 86 -3.874 -10.017 1.963 1.00 0.33 C ATOM 1222 CG MET A 86 -3.192 -10.220 0.620 1.00 0.43 C ATOM 1223 SD MET A 86 -1.492 -9.618 0.616 1.00 1.16 S ATOM 1224 CE MET A 86 -1.011 -9.967 -1.073 1.00 1.39 C ATOM 0 H MET A 86 -6.188 -8.783 1.152 1.00 0.33 H new ATOM 0 HA MET A 86 -5.347 -11.553 1.791 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.837 -8.958 2.220 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.310 -10.551 2.728 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.200 -11.280 0.368 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.759 -9.704 -0.155 1.00 0.43 H new ATOM 0 HE1 MET A 86 0.020 -9.650 -1.231 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.094 -11.037 -1.261 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.666 -9.427 -1.757 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.670 -11.083 4.336 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.230 -10.923 5.675 1.00 0.32 C ATOM 1236 C LYS A 87 -5.913 -9.549 6.281 1.00 0.27 C ATOM 1237 O LYS A 87 -6.836 -8.797 6.585 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.768 -12.050 6.607 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.303 -13.423 6.222 1.00 0.97 C ATOM 1240 CD LYS A 87 -7.825 -13.440 6.153 1.00 1.46 C ATOM 1241 CE LYS A 87 -8.455 -13.109 7.496 1.00 2.00 C ATOM 1242 NZ LYS A 87 -9.925 -12.924 7.389 1.00 2.37 N ATOM 0 H LYS A 87 -5.095 -11.917 4.214 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.313 -10.985 5.571 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -4.678 -12.083 6.610 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -6.083 -11.820 7.625 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -5.892 -13.715 5.255 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -5.964 -14.162 6.948 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -8.163 -12.722 5.406 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -8.163 -14.423 5.825 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -8.241 -13.909 8.204 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -8.003 -12.201 7.895 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -10.316 -12.700 8.326 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -10.130 -12.144 6.733 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -10.360 -13.799 7.033 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.624 -9.161 6.426 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.273 -7.902 7.088 1.00 0.25 C ATOM 1258 C PRO A 88 -4.538 -6.694 6.193 1.00 0.22 C ATOM 1259 O PRO A 88 -4.741 -5.578 6.673 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.780 -8.056 7.360 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.288 -8.935 6.264 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.421 -9.874 5.939 1.00 0.27 C ATOM 0 HA PRO A 88 -4.864 -7.725 7.987 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.274 -7.091 7.352 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.599 -8.502 8.338 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.006 -8.347 5.390 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.402 -9.487 6.576 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.480 -10.073 4.869 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.298 -10.836 6.436 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.550 -6.941 4.891 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.782 -5.899 3.902 1.00 0.17 C ATOM 1272 C PHE A 89 -6.242 -5.468 3.941 1.00 0.18 C ATOM 1273 O PHE A 89 -6.549 -4.301 4.154 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.418 -6.440 2.513 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.596 -5.474 1.368 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.823 -5.346 0.736 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.529 -4.724 0.906 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.984 -4.484 -0.333 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.683 -3.865 -0.167 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.913 -3.744 -0.787 1.00 0.19 C ATOM 0 H PHE A 89 -4.400 -7.867 4.491 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.161 -5.031 4.123 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.378 -6.766 2.531 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -5.025 -7.324 2.317 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.664 -5.927 1.083 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.566 -4.810 1.388 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.948 -4.390 -0.812 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.841 -3.288 -0.521 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.034 -3.072 -1.624 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.131 -6.436 3.766 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.565 -6.187 3.755 1.00 0.24 C ATOM 1292 C GLU A 90 -9.032 -5.751 5.133 1.00 0.25 C ATOM 1293 O GLU A 90 -9.903 -4.890 5.262 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.293 -7.452 3.312 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.761 -7.251 2.979 1.00 0.34 C ATOM 1296 CD GLU A 90 -11.669 -7.497 4.166 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -11.666 -8.616 4.706 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -12.394 -6.562 4.560 1.00 1.78 O ATOM 0 H GLU A 90 -6.878 -7.415 3.628 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.791 -5.385 3.053 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.787 -7.859 2.436 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.212 -8.198 4.102 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -10.911 -6.234 2.617 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.041 -7.923 2.168 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.437 -6.350 6.159 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.690 -5.951 7.541 1.00 0.29 C ATOM 1307 C ASP A 91 -8.497 -4.452 7.706 1.00 0.25 C ATOM 1308 O ASP A 91 -9.228 -3.803 8.449 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.760 -6.701 8.500 1.00 0.35 C ATOM 1310 CG ASP A 91 -7.912 -6.251 9.940 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -8.829 -6.742 10.630 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.110 -5.409 10.394 1.00 0.54 O ATOM 0 H ASP A 91 -7.773 -7.118 6.060 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.722 -6.205 7.782 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -7.964 -7.770 8.435 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.727 -6.554 8.186 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.522 -3.908 6.987 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.247 -2.483 7.025 1.00 0.19 C ATOM 1319 C ALA A 92 -8.223 -1.704 6.150 1.00 0.18 C ATOM 1320 O ALA A 92 -8.596 -0.584 6.482 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.820 -2.208 6.589 1.00 0.22 C ATOM 0 H ALA A 92 -6.908 -4.438 6.369 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.376 -2.147 8.054 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.630 -1.135 6.623 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.130 -2.721 7.259 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.674 -2.570 5.571 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.657 -2.317 5.051 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.531 -1.646 4.090 1.00 0.19 C ATOM 1329 C VAL A 93 -10.892 -1.386 4.714 1.00 0.19 C ATOM 1330 O VAL A 93 -11.501 -0.336 4.516 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.736 -2.477 2.801 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.514 -1.673 1.771 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.409 -2.948 2.220 1.00 0.21 C ATOM 0 H VAL A 93 -8.418 -3.277 4.803 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.042 -0.709 3.823 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.313 -3.363 3.065 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.650 -2.271 0.870 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.488 -1.405 2.179 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.962 -0.766 1.525 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.593 -3.528 1.316 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.791 -2.084 1.977 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.892 -3.570 2.951 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.361 -2.357 5.476 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.644 -2.242 6.141 1.00 0.27 C ATOM 1345 C ARG A 94 -12.506 -1.485 7.462 1.00 0.25 C ATOM 1346 O ARG A 94 -13.498 -1.146 8.103 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.244 -3.638 6.362 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.392 -4.571 7.215 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.583 -4.313 8.700 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.753 -5.184 9.526 1.00 0.98 N ATOM 1351 CZ ARG A 94 -12.240 -6.085 10.377 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -13.549 -6.280 10.468 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.417 -6.805 11.122 1.00 1.70 N ATOM 0 H ARG A 94 -10.871 -3.235 5.649 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.321 -1.671 5.505 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.221 -3.528 6.833 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.409 -4.105 5.391 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.650 -5.606 6.990 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.341 -4.441 6.956 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.344 -3.272 8.919 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.631 -4.461 8.960 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.740 -5.097 9.447 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -14.187 -5.739 9.885 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -13.917 -6.971 11.121 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.409 -6.670 11.045 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -11.791 -7.495 11.774 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.266 -1.214 7.859 1.00 0.23 N ATOM 1368 CA ALA A 95 -10.999 -0.547 9.128 1.00 0.25 C ATOM 1369 C ALA A 95 -11.007 0.967 8.963 1.00 0.26 C ATOM 1370 O ALA A 95 -10.793 1.705 9.923 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.672 -1.008 9.706 1.00 0.26 C ATOM 0 H ALA A 95 -10.431 -1.446 7.320 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.794 -0.818 9.822 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.491 -0.499 10.653 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.702 -2.085 9.873 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.869 -0.772 9.008 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.261 1.418 7.747 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.312 2.839 7.447 1.00 0.19 C ATOM 1379 C LEU A 96 -12.459 3.145 6.496 1.00 0.21 C ATOM 1380 O LEU A 96 -12.942 2.260 5.787 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.977 3.311 6.849 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.235 2.297 5.980 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.802 2.275 4.579 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.757 2.613 5.939 1.00 0.28 C ATOM 0 H LEU A 96 -11.437 0.814 6.944 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.484 3.380 8.378 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.165 4.203 6.251 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.320 3.608 7.667 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.369 1.310 6.423 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.259 1.546 3.978 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.856 2.000 4.617 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.701 3.263 4.130 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.245 1.880 5.315 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.609 3.610 5.523 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.349 2.578 6.949 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.910 4.391 6.504 1.00 0.24 N ATOM 1397 CA LYS A 97 -13.949 4.820 5.589 1.00 0.31 C ATOM 1398 C LYS A 97 -13.315 5.619 4.448 1.00 0.28 C ATOM 1399 O LYS A 97 -12.091 5.720 4.359 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.015 5.660 6.312 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.334 5.768 5.554 1.00 0.62 C ATOM 1402 CD LYS A 97 -16.758 7.218 5.387 1.00 0.97 C ATOM 1403 CE LYS A 97 -17.907 7.361 4.398 1.00 1.02 C ATOM 1404 NZ LYS A 97 -18.411 8.758 4.326 1.00 1.61 N ATOM 0 H LYS A 97 -12.572 5.119 7.134 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.448 3.940 5.183 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.205 5.223 7.292 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.621 6.662 6.481 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.232 5.302 4.574 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -17.109 5.219 6.089 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -17.058 7.623 6.354 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -15.908 7.808 5.044 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -17.575 7.044 3.409 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.721 6.697 4.689 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -19.192 8.810 3.641 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -18.752 9.053 5.263 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -17.642 9.389 4.023 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.149 6.168 3.582 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.706 6.956 2.444 1.00 0.32 C ATOM 1420 C ILE A 98 -12.795 8.098 2.902 1.00 0.32 C ATOM 1421 O ILE A 98 -13.196 8.941 3.707 1.00 0.37 O ATOM 1422 CB ILE A 98 -14.920 7.548 1.673 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.716 6.472 0.908 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.455 8.618 0.695 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -16.161 5.276 1.721 1.00 0.90 C ATOM 0 H ILE A 98 -15.163 6.079 3.649 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.151 6.294 1.780 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.582 7.985 2.420 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -16.599 6.941 0.474 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -15.104 6.116 0.079 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.316 9.023 0.163 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -13.957 9.419 1.242 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -13.759 8.179 -0.020 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -16.711 4.586 1.082 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -15.287 4.771 2.133 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.806 5.609 2.535 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.568 8.106 2.405 1.00 0.30 N ATOM 1438 CA GLY A 99 -10.646 9.180 2.720 1.00 0.32 C ATOM 1439 C GLY A 99 -9.761 8.873 3.912 1.00 0.32 C ATOM 1440 O GLY A 99 -8.940 9.704 4.309 1.00 0.46 O ATOM 0 H GLY A 99 -11.192 7.387 1.787 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.019 9.379 1.851 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.212 10.090 2.920 1.00 0.32 H new ATOM 1444 N ASP A 100 -9.915 7.688 4.487 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.108 7.298 5.634 1.00 0.19 C ATOM 1446 C ASP A 100 -8.000 6.352 5.205 1.00 0.15 C ATOM 1447 O ASP A 100 -8.214 5.477 4.366 1.00 0.15 O ATOM 1448 CB ASP A 100 -9.968 6.644 6.716 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.833 7.636 7.460 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.278 8.540 8.116 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.077 7.521 7.392 1.00 0.37 O ATOM 0 H ASP A 100 -10.587 6.984 4.180 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.662 8.200 6.052 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.604 5.886 6.259 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.320 6.130 7.426 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.819 6.543 5.776 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.653 5.736 5.437 1.00 0.16 C ATOM 1458 C ILE A 101 -5.268 4.844 6.614 1.00 0.16 C ATOM 1459 O ILE A 101 -5.476 5.206 7.773 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.447 6.626 5.072 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -4.891 7.786 4.179 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.372 5.803 4.372 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -3.807 8.809 3.934 1.00 0.21 C ATOM 0 H ILE A 101 -6.641 7.257 6.483 1.00 0.18 H new ATOM 0 HA ILE A 101 -5.916 5.123 4.575 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.029 7.035 5.992 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.227 7.388 3.221 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.748 8.279 4.638 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.528 6.445 4.121 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.036 5.005 5.034 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.782 5.370 3.460 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.193 9.602 3.293 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.487 9.235 4.885 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -2.958 8.330 3.447 1.00 0.21 H new ATOM 1475 N SER A 102 -4.716 3.680 6.314 1.00 0.16 N ATOM 1476 CA SER A 102 -4.323 2.721 7.333 1.00 0.19 C ATOM 1477 C SER A 102 -2.859 2.910 7.716 1.00 0.18 C ATOM 1478 O SER A 102 -2.083 3.500 6.959 1.00 0.22 O ATOM 1479 CB SER A 102 -4.537 1.299 6.807 1.00 0.25 C ATOM 1480 OG SER A 102 -3.695 1.032 5.697 1.00 0.92 O ATOM 0 H SER A 102 -4.528 3.374 5.359 1.00 0.16 H new ATOM 0 HA SER A 102 -4.937 2.883 8.219 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.335 0.580 7.601 1.00 0.25 H new ATOM 0 HB3 SER A 102 -5.579 1.169 6.516 1.00 0.25 H new ATOM 0 HG SER A 102 -3.223 0.185 5.841 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.466 2.432 8.906 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.061 2.398 9.314 1.00 0.23 C ATOM 1488 C PRO A 103 -0.278 1.340 8.539 1.00 0.20 C ATOM 1489 O PRO A 103 -0.867 0.546 7.801 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.131 2.033 10.798 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.410 1.288 10.944 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.360 1.905 9.956 1.00 0.28 C ATOM 0 HA PRO A 103 -0.549 3.341 9.123 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.280 1.421 11.096 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.118 2.924 11.426 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.269 0.226 10.740 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.796 1.369 11.960 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.059 1.170 9.557 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.956 2.696 10.411 1.00 0.28 H new ATOM 1500 N ILE A 104 1.045 1.364 8.682 1.00 0.17 N ATOM 1501 CA ILE A 104 1.919 0.347 8.085 1.00 0.15 C ATOM 1502 C ILE A 104 1.406 -1.073 8.347 1.00 0.14 C ATOM 1503 O ILE A 104 1.407 -1.545 9.484 1.00 0.20 O ATOM 1504 CB ILE A 104 3.355 0.433 8.644 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.838 1.886 8.681 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.300 -0.428 7.811 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.783 2.588 7.342 1.00 0.17 C ATOM 0 H ILE A 104 1.542 2.081 9.210 1.00 0.17 H new ATOM 0 HA ILE A 104 1.919 0.550 7.014 1.00 0.15 H new ATOM 0 HB ILE A 104 3.350 0.053 9.666 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.231 2.442 9.396 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.864 1.908 9.049 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.309 -0.358 8.217 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.968 -1.466 7.841 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.298 -0.076 6.779 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.141 3.611 7.453 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.413 2.058 6.627 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.755 2.601 6.980 1.00 0.17 H new ATOM 1519 N VAL A 105 0.970 -1.741 7.289 1.00 0.13 N ATOM 1520 CA VAL A 105 0.523 -3.125 7.376 1.00 0.15 C ATOM 1521 C VAL A 105 1.427 -4.025 6.536 1.00 0.15 C ATOM 1522 O VAL A 105 1.594 -3.797 5.339 1.00 0.17 O ATOM 1523 CB VAL A 105 -0.939 -3.266 6.886 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.346 -4.728 6.761 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.885 -2.537 7.827 1.00 1.04 C ATOM 0 H VAL A 105 0.916 -1.343 6.351 1.00 0.13 H new ATOM 0 HA VAL A 105 0.574 -3.429 8.421 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.003 -2.814 5.896 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.378 -4.790 6.415 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -0.693 -5.228 6.046 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -1.259 -5.214 7.733 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.909 -2.645 7.469 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -1.803 -2.963 8.827 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.622 -1.480 7.860 1.00 1.04 H new ATOM 1535 N GLN A 106 2.029 -5.030 7.161 1.00 0.18 N ATOM 1536 CA GLN A 106 2.842 -5.984 6.426 1.00 0.20 C ATOM 1537 C GLN A 106 1.964 -7.096 5.862 1.00 0.23 C ATOM 1538 O GLN A 106 0.934 -7.447 6.440 1.00 0.29 O ATOM 1539 CB GLN A 106 3.940 -6.586 7.305 1.00 0.24 C ATOM 1540 CG GLN A 106 4.981 -5.591 7.788 1.00 0.25 C ATOM 1541 CD GLN A 106 6.168 -6.277 8.449 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.185 -6.481 9.661 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.162 -6.657 7.656 1.00 0.28 N ATOM 0 H GLN A 106 1.969 -5.202 8.165 1.00 0.18 H new ATOM 0 HA GLN A 106 3.323 -5.447 5.608 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.476 -7.056 8.172 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.443 -7.375 6.746 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.331 -4.996 6.945 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.521 -4.902 8.496 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.115 -6.471 6.654 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.973 -7.135 8.048 1.00 0.28 H new ATOM 1552 N THR A 107 2.377 -7.636 4.729 1.00 0.22 N ATOM 1553 CA THR A 107 1.624 -8.672 4.043 1.00 0.27 C ATOM 1554 C THR A 107 2.503 -9.875 3.740 1.00 0.34 C ATOM 1555 O THR A 107 3.647 -9.938 4.197 1.00 0.37 O ATOM 1556 CB THR A 107 1.047 -8.134 2.727 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.040 -7.356 2.044 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.198 -7.295 2.978 1.00 0.27 C ATOM 0 H THR A 107 3.242 -7.370 4.259 1.00 0.22 H new ATOM 0 HA THR A 107 0.812 -8.979 4.702 1.00 0.27 H new ATOM 0 HB THR A 107 0.761 -8.981 2.104 1.00 0.26 H new ATOM 0 HG1 THR A 107 1.645 -6.510 1.746 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.586 -6.926 2.028 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.956 -7.906 3.467 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.056 -6.450 3.619 1.00 0.27 H new ATOM 1566 N ASP A 108 1.966 -10.823 2.972 1.00 0.40 N ATOM 1567 CA ASP A 108 2.720 -12.000 2.546 1.00 0.49 C ATOM 1568 C ASP A 108 4.037 -11.607 1.902 1.00 0.45 C ATOM 1569 O ASP A 108 5.066 -12.238 2.135 1.00 0.53 O ATOM 1570 CB ASP A 108 1.916 -12.842 1.556 1.00 0.60 C ATOM 1571 CG ASP A 108 0.854 -13.679 2.229 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.189 -14.766 2.746 1.00 2.16 O ATOM 1573 OD2 ASP A 108 -0.320 -13.260 2.241 1.00 1.67 O ATOM 0 H ASP A 108 1.005 -10.797 2.631 1.00 0.40 H new ATOM 0 HA ASP A 108 2.920 -12.589 3.441 1.00 0.49 H new ATOM 0 HB2 ASP A 108 1.445 -12.185 0.825 1.00 0.60 H new ATOM 0 HB3 ASP A 108 2.594 -13.496 1.007 1.00 0.60 H new ATOM 1578 N SER A 109 4.010 -10.561 1.094 1.00 0.39 N ATOM 1579 CA SER A 109 5.210 -10.140 0.411 1.00 0.43 C ATOM 1580 C SER A 109 5.859 -8.952 1.112 1.00 0.53 C ATOM 1581 O SER A 109 6.972 -9.074 1.612 1.00 1.09 O ATOM 1582 CB SER A 109 4.895 -9.804 -1.047 1.00 0.47 C ATOM 1583 OG SER A 109 6.081 -9.686 -1.811 1.00 0.60 O ATOM 0 H SER A 109 3.182 -9.998 0.900 1.00 0.39 H new ATOM 0 HA SER A 109 5.923 -10.964 0.435 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.260 -10.581 -1.473 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.333 -8.871 -1.095 1.00 0.47 H new ATOM 0 HG SER A 109 6.851 -9.942 -1.261 1.00 0.60 H new ATOM 1589 N GLY A 110 5.164 -7.827 1.227 1.00 0.22 N ATOM 1590 CA GLY A 110 5.826 -6.655 1.740 1.00 0.19 C ATOM 1591 C GLY A 110 4.932 -5.765 2.562 1.00 0.16 C ATOM 1592 O GLY A 110 4.125 -6.229 3.359 1.00 0.24 O ATOM 0 H GLY A 110 4.181 -7.710 0.981 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.674 -6.966 2.350 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.227 -6.080 0.905 1.00 0.19 H new ATOM 1596 N LEU A 111 5.063 -4.484 2.326 1.00 0.12 N ATOM 1597 CA LEU A 111 4.435 -3.463 3.155 1.00 0.11 C ATOM 1598 C LEU A 111 3.308 -2.774 2.414 1.00 0.11 C ATOM 1599 O LEU A 111 3.400 -2.548 1.210 1.00 0.13 O ATOM 1600 CB LEU A 111 5.478 -2.428 3.562 1.00 0.12 C ATOM 1601 CG LEU A 111 6.136 -2.638 4.925 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.721 -4.040 5.053 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.215 -1.592 5.128 1.00 0.19 C ATOM 0 H LEU A 111 5.610 -4.109 1.551 1.00 0.12 H new ATOM 0 HA LEU A 111 4.020 -3.947 4.039 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.260 -2.411 2.802 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.007 -1.445 3.556 1.00 0.12 H new ATOM 0 HG LEU A 111 5.374 -2.532 5.698 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.181 -4.154 6.035 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.927 -4.778 4.936 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.474 -4.192 4.280 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.686 -1.739 6.100 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.965 -1.686 4.343 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.770 -0.598 5.088 1.00 0.19 H new ATOM 1615 N HIS A 112 2.245 -2.443 3.131 1.00 0.11 N ATOM 1616 CA HIS A 112 1.103 -1.781 2.524 1.00 0.12 C ATOM 1617 C HIS A 112 0.471 -0.751 3.441 1.00 0.14 C ATOM 1618 O HIS A 112 0.339 -0.964 4.644 1.00 0.22 O ATOM 1619 CB HIS A 112 0.024 -2.793 2.138 1.00 0.14 C ATOM 1620 CG HIS A 112 0.378 -3.646 0.970 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.987 -4.847 0.911 1.00 0.19 N flip ATOM 1622 CD2 HIS A 112 0.074 -3.305 -0.326 1.00 0.18 C flip ATOM 1623 CE1 HIS A 112 1.034 -5.214 -0.409 1.00 0.22 C flip ATOM 1624 NE2 HIS A 112 0.475 -4.267 -1.134 1.00 0.21 N flip ATOM 0 H HIS A 112 2.150 -2.622 4.131 1.00 0.11 H new ATOM 0 HA HIS A 112 1.490 -1.277 1.639 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.179 -3.435 2.995 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.899 -2.257 1.916 1.00 0.14 H new ATOM 0 HD2 HIS A 112 -0.416 -2.393 -0.634 1.00 0.18 H new ATOM 0 HE1 HIS A 112 1.460 -6.130 -0.792 1.00 0.22 H new ATOM 0 HE2 HIS A 112 0.370 -4.276 -2.149 1.00 0.21 H new ATOM 1633 N ILE A 113 0.111 0.374 2.854 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.844 1.287 3.449 1.00 0.13 C ATOM 1635 C ILE A 113 -2.003 1.438 2.483 1.00 0.12 C ATOM 1636 O ILE A 113 -1.792 1.489 1.268 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.243 2.673 3.749 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.509 3.194 2.524 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.675 2.591 4.958 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.505 4.696 2.394 1.00 0.17 C ATOM 0 H ILE A 113 0.473 0.680 1.951 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.163 0.873 4.405 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.047 3.372 3.978 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.541 2.846 2.569 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.066 2.761 1.627 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.096 3.575 5.163 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.107 2.252 5.824 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.482 1.887 4.755 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.059 4.985 1.501 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.522 5.052 2.315 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.976 5.138 3.272 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.217 1.460 2.994 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.383 1.512 2.135 1.00 0.11 C ATOM 1654 C ILE A 114 -5.319 2.631 2.574 1.00 0.11 C ATOM 1655 O ILE A 114 -5.450 2.908 3.763 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.165 0.170 2.126 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.225 -1.042 2.026 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.141 0.147 0.964 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.730 -1.558 3.364 1.00 0.18 C ATOM 0 H ILE A 114 -3.422 1.443 3.993 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.021 1.703 1.125 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.705 0.101 3.070 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.744 -1.848 1.508 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.365 -0.771 1.413 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.685 -0.797 0.965 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.846 0.972 1.065 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.594 0.249 0.027 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.073 -2.413 3.204 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.180 -0.769 3.877 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.581 -1.863 3.974 1.00 0.18 H new ATOM 1671 N LYS A 115 -5.939 3.293 1.607 1.00 0.13 N ATOM 1672 CA LYS A 115 -6.955 4.291 1.896 1.00 0.14 C ATOM 1673 C LYS A 115 -8.215 3.969 1.099 1.00 0.15 C ATOM 1674 O LYS A 115 -8.138 3.584 -0.070 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.462 5.706 1.559 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.530 6.049 0.079 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.164 7.498 -0.179 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.556 7.931 -1.583 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.213 9.356 -1.836 1.00 0.61 N ATOM 0 H LYS A 115 -5.754 3.155 0.613 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.175 4.264 2.963 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.057 6.429 2.117 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.432 5.811 1.899 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -5.854 5.399 -0.477 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.536 5.856 -0.293 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.662 8.136 0.552 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.091 7.633 -0.042 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.049 7.300 -2.313 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.627 7.784 -1.723 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -6.834 9.736 -2.578 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -6.342 9.905 -0.962 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.222 9.425 -2.145 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.366 4.114 1.726 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.624 3.750 1.088 1.00 0.17 C ATOM 1695 C ARG A 116 -11.153 4.878 0.209 1.00 0.19 C ATOM 1696 O ARG A 116 -11.255 6.026 0.642 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.644 3.368 2.158 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.015 2.984 1.640 1.00 0.28 C ATOM 1699 CD ARG A 116 -13.816 2.307 2.740 1.00 0.49 C ATOM 1700 NE ARG A 116 -15.148 1.892 2.306 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.969 1.155 3.052 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -15.594 0.770 4.268 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -17.162 0.808 2.587 1.00 1.87 N ATOM 0 H ARG A 116 -9.460 4.480 2.674 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.449 2.894 0.437 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.245 2.534 2.735 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.756 4.206 2.846 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.542 3.871 1.289 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -12.916 2.314 0.786 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -13.268 1.435 3.096 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.912 2.990 3.584 1.00 0.49 H new ATOM 0 HE ARG A 116 -15.466 2.182 1.382 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -14.679 1.039 4.628 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.222 0.206 4.840 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -17.453 1.106 1.656 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -17.789 0.243 3.161 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.468 4.537 -1.034 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.054 5.480 -1.975 1.00 0.27 C ATOM 1719 C LEU A 117 -13.571 5.349 -1.967 1.00 0.29 C ATOM 1720 O LEU A 117 -14.292 6.345 -1.925 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.528 5.234 -3.398 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.158 5.820 -3.742 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.956 7.162 -3.083 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.051 4.869 -3.355 1.00 0.80 C ATOM 0 H LEU A 117 -11.325 3.602 -1.416 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.771 6.486 -1.666 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.487 4.157 -3.563 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.256 5.637 -4.103 1.00 0.32 H new ATOM 0 HG LEU A 117 -10.124 5.965 -4.822 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.973 7.553 -3.347 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.725 7.855 -3.425 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.023 7.050 -2.001 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.087 5.309 -3.610 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.091 4.681 -2.282 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.174 3.929 -3.893 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.045 4.111 -2.002 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.471 3.832 -2.000 1.00 0.30 C ATOM 1738 C ALA A 118 -15.755 2.529 -1.267 1.00 0.30 C ATOM 1739 O ALA A 118 -15.626 1.456 -1.887 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.007 3.772 -3.423 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.095 2.581 -0.072 1.00 1.09 O ATOM 0 H ALA A 118 -13.456 3.279 -2.032 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.980 4.641 -1.477 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.076 3.562 -3.400 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.835 4.728 -3.917 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.494 2.983 -3.972 1.00 0.39 H new