USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 599 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 16 MET CE :methyl 178:sc= -8.09! (180deg=-8.43!) USER MOD Set 1.2: A 21 CYS SG : rot 180:sc= -0.0805 USER MOD Single : A 1 ALA N :NH3+ 169:sc= 0 (180deg=-0.103) USER MOD Single : A 3 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=-0.023) USER MOD Single : A 4 MET CE :methyl 152:sc= -0.142 (180deg=-0.666) USER MOD Single : A 5 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.92) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0613 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -0.304 (180deg=-1.54!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= 0.588 F(o=-0.56,f=0.59) USER MOD Single : A 45 GLN : amide:sc= -0.0854 K(o=-0.085,f=-2.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 51 TYR OH : rot 120:sc= -1.28 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 64 HIS : no HD1:sc= -5.26! C(o=-5.3!,f=-4.8!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 68 MET CE :methyl -135:sc= -3.9 (180deg=-8.46!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= -0.0447 (180deg=-0.105) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.696 -2.737 1.969 1.00 2.11 N ATOM 2 CA ALA A 1 13.307 -2.694 0.565 1.00 44.10 C ATOM 3 C ALA A 1 12.057 -1.844 0.367 1.00 1.33 C ATOM 4 O ALA A 1 11.181 -2.185 -0.426 1.00 63.34 O ATOM 5 CB ALA A 1 13.079 -4.103 0.037 1.00 11.43 C ATOM 0 H1 ALA A 1 14.428 -3.463 2.104 1.00 2.11 H new ATOM 0 H2 ALA A 1 14.071 -1.810 2.254 1.00 2.11 H new ATOM 0 H3 ALA A 1 12.867 -2.969 2.552 1.00 2.11 H new ATOM 0 HA ALA A 1 14.120 -2.234 0.003 1.00 44.10 H new ATOM 0 HB1 ALA A 1 12.789 -4.056 -1.013 1.00 11.43 H new ATOM 0 HB2 ALA A 1 13.998 -4.681 0.134 1.00 11.43 H new ATOM 0 HB3 ALA A 1 12.286 -4.583 0.611 1.00 11.43 H new ATOM 11 N GLY A 2 11.980 -0.734 1.096 1.00 43.25 N ATOM 12 CA GLY A 2 10.833 0.147 0.986 1.00 55.52 C ATOM 13 C GLY A 2 11.229 1.609 0.908 1.00 33.51 C ATOM 14 O GLY A 2 12.211 1.959 0.254 1.00 62.05 O ATOM 0 H GLY A 2 12.692 -0.430 1.760 1.00 43.25 H new ATOM 0 HA2 GLY A 2 10.259 -0.118 0.098 1.00 55.52 H new ATOM 0 HA3 GLY A 2 10.179 -0.004 1.845 1.00 55.52 H new ATOM 18 N HIS A 3 10.462 2.464 1.576 1.00 11.52 N ATOM 19 CA HIS A 3 10.738 3.897 1.579 1.00 32.31 C ATOM 20 C HIS A 3 10.623 4.475 0.172 1.00 74.12 C ATOM 21 O HIS A 3 11.583 5.029 -0.362 1.00 70.22 O ATOM 22 CB HIS A 3 12.133 4.168 2.142 1.00 64.43 C ATOM 23 CG HIS A 3 12.414 3.443 3.422 1.00 61.00 C ATOM 24 ND1 HIS A 3 13.432 2.522 3.558 1.00 14.32 N ATOM 25 CD2 HIS A 3 11.804 3.509 4.629 1.00 45.13 C ATOM 26 CE1 HIS A 3 13.435 2.052 4.793 1.00 54.22 C ATOM 27 NE2 HIS A 3 12.457 2.635 5.463 1.00 2.31 N ATOM 0 H HIS A 3 9.645 2.190 2.122 1.00 11.52 H new ATOM 0 HA HIS A 3 9.998 4.383 2.214 1.00 32.31 H new ATOM 0 HB2 HIS A 3 12.878 3.880 1.400 1.00 64.43 H new ATOM 0 HB3 HIS A 3 12.247 5.239 2.308 1.00 64.43 H new ATOM 0 HD2 HIS A 3 10.961 4.133 4.888 1.00 45.13 H new ATOM 0 HE1 HIS A 3 14.120 1.316 5.188 1.00 54.22 H new ATOM 0 HE2 HIS A 3 12.225 2.464 6.441 1.00 2.31 H new ATOM 35 N MET A 4 9.442 4.341 -0.423 1.00 14.22 N ATOM 36 CA MET A 4 9.202 4.851 -1.768 1.00 34.01 C ATOM 37 C MET A 4 8.218 6.017 -1.740 1.00 60.40 C ATOM 38 O MET A 4 8.362 6.979 -2.493 1.00 71.03 O ATOM 39 CB MET A 4 8.666 3.738 -2.670 1.00 72.22 C ATOM 40 CG MET A 4 7.356 3.139 -2.184 1.00 51.12 C ATOM 41 SD MET A 4 5.924 3.794 -3.063 1.00 3.30 S ATOM 42 CE MET A 4 6.215 3.153 -4.710 1.00 3.02 C ATOM 0 H MET A 4 8.637 3.884 0.005 1.00 14.22 H new ATOM 0 HA MET A 4 10.150 5.209 -2.169 1.00 34.01 H new ATOM 0 HB2 MET A 4 8.524 4.133 -3.676 1.00 72.22 H new ATOM 0 HB3 MET A 4 9.413 2.948 -2.741 1.00 72.22 H new ATOM 0 HG2 MET A 4 7.389 2.056 -2.306 1.00 51.12 H new ATOM 0 HG3 MET A 4 7.244 3.336 -1.118 1.00 51.12 H new ATOM 0 HE1 MET A 4 5.262 3.023 -5.224 1.00 3.02 H new ATOM 0 HE2 MET A 4 6.836 3.853 -5.269 1.00 3.02 H new ATOM 0 HE3 MET A 4 6.724 2.192 -4.642 1.00 3.02 H new ATOM 52 N GLN A 5 7.220 5.922 -0.868 1.00 12.15 N ATOM 53 CA GLN A 5 6.213 6.969 -0.744 1.00 15.04 C ATOM 54 C GLN A 5 6.819 8.242 -0.162 1.00 60.22 C ATOM 55 O GLN A 5 6.236 9.321 -0.265 1.00 22.43 O ATOM 56 CB GLN A 5 5.057 6.492 0.137 1.00 14.14 C ATOM 57 CG GLN A 5 5.467 6.194 1.570 1.00 32.44 C ATOM 58 CD GLN A 5 5.878 4.748 1.771 1.00 44.34 C ATOM 59 OE1 GLN A 5 6.963 4.464 2.280 1.00 51.51 O ATOM 60 NE2 GLN A 5 5.012 3.825 1.370 1.00 62.11 N ATOM 0 H GLN A 5 7.087 5.131 -0.237 1.00 12.15 H new ATOM 0 HA GLN A 5 5.833 7.192 -1.741 1.00 15.04 H new ATOM 0 HB2 GLN A 5 4.277 7.253 0.142 1.00 14.14 H new ATOM 0 HB3 GLN A 5 4.623 5.594 -0.302 1.00 14.14 H new ATOM 0 HG2 GLN A 5 6.295 6.845 1.850 1.00 32.44 H new ATOM 0 HG3 GLN A 5 4.638 6.428 2.237 1.00 32.44 H new ATOM 0 HE21 GLN A 5 4.124 4.105 0.953 1.00 62.11 H new ATOM 0 HE22 GLN A 5 5.234 2.835 1.479 1.00 62.11 H new ATOM 69 N GLU A 6 7.992 8.107 0.448 1.00 2.34 N ATOM 70 CA GLU A 6 8.676 9.247 1.047 1.00 2.41 C ATOM 71 C GLU A 6 9.374 10.085 -0.021 1.00 12.45 C ATOM 72 O GLU A 6 9.950 9.550 -0.967 1.00 22.44 O ATOM 73 CB GLU A 6 9.696 8.772 2.084 1.00 34.33 C ATOM 74 CG GLU A 6 10.893 8.058 1.479 1.00 54.33 C ATOM 75 CD GLU A 6 11.949 7.713 2.510 1.00 43.20 C ATOM 76 OE1 GLU A 6 11.593 7.120 3.549 1.00 23.14 O ATOM 77 OE2 GLU A 6 13.133 8.037 2.277 1.00 71.32 O ATOM 0 H GLU A 6 8.488 7.221 0.540 1.00 2.34 H new ATOM 0 HA GLU A 6 7.928 9.867 1.541 1.00 2.41 H new ATOM 0 HB2 GLU A 6 10.047 9.631 2.656 1.00 34.33 H new ATOM 0 HB3 GLU A 6 9.201 8.102 2.787 1.00 34.33 H new ATOM 0 HG2 GLU A 6 10.557 7.144 0.989 1.00 54.33 H new ATOM 0 HG3 GLU A 6 11.336 8.689 0.708 1.00 54.33 H new ATOM 84 N ALA A 7 9.316 11.404 0.139 1.00 60.50 N ATOM 85 CA ALA A 7 9.943 12.316 -0.809 1.00 73.03 C ATOM 86 C ALA A 7 11.060 13.115 -0.146 1.00 73.23 C ATOM 87 O ALA A 7 10.998 13.415 1.046 1.00 4.30 O ATOM 88 CB ALA A 7 8.903 13.253 -1.406 1.00 2.33 C ATOM 0 H ALA A 7 8.841 11.864 0.916 1.00 60.50 H new ATOM 0 HA ALA A 7 10.384 11.722 -1.610 1.00 73.03 H new ATOM 0 HB1 ALA A 7 9.385 13.929 -2.112 1.00 2.33 H new ATOM 0 HB2 ALA A 7 8.142 12.669 -1.924 1.00 2.33 H new ATOM 0 HB3 ALA A 7 8.436 13.833 -0.610 1.00 2.33 H new ATOM 94 N VAL A 8 12.081 13.456 -0.926 1.00 74.23 N ATOM 95 CA VAL A 8 13.212 14.220 -0.415 1.00 13.44 C ATOM 96 C VAL A 8 13.395 15.518 -1.193 1.00 12.40 C ATOM 97 O VAL A 8 13.309 15.536 -2.421 1.00 14.11 O ATOM 98 CB VAL A 8 14.517 13.405 -0.483 1.00 11.35 C ATOM 99 CG1 VAL A 8 15.620 14.097 0.304 1.00 31.22 C ATOM 100 CG2 VAL A 8 14.289 11.992 0.032 1.00 63.00 C ATOM 0 H VAL A 8 12.148 13.215 -1.915 1.00 74.23 H new ATOM 0 HA VAL A 8 12.992 14.452 0.627 1.00 13.44 H new ATOM 0 HB VAL A 8 14.832 13.341 -1.525 1.00 11.35 H new ATOM 0 HG11 VAL A 8 16.534 13.507 0.245 1.00 31.22 H new ATOM 0 HG12 VAL A 8 15.799 15.087 -0.115 1.00 31.22 H new ATOM 0 HG13 VAL A 8 15.317 14.193 1.347 1.00 31.22 H new ATOM 0 HG21 VAL A 8 15.221 11.430 -0.023 1.00 63.00 H new ATOM 0 HG22 VAL A 8 13.950 12.032 1.067 1.00 63.00 H new ATOM 0 HG23 VAL A 8 13.532 11.500 -0.579 1.00 63.00 H new ATOM 110 N VAL A 9 13.649 16.605 -0.470 1.00 72.31 N ATOM 111 CA VAL A 9 13.846 17.908 -1.093 1.00 1.33 C ATOM 112 C VAL A 9 15.196 18.503 -0.707 1.00 61.44 C ATOM 113 O VAL A 9 15.573 18.508 0.465 1.00 63.34 O ATOM 114 CB VAL A 9 12.731 18.894 -0.696 1.00 3.33 C ATOM 115 CG1 VAL A 9 12.856 20.188 -1.486 1.00 61.22 C ATOM 116 CG2 VAL A 9 11.363 18.263 -0.903 1.00 61.34 C ATOM 0 H VAL A 9 13.723 16.608 0.547 1.00 72.31 H new ATOM 0 HA VAL A 9 13.816 17.751 -2.171 1.00 1.33 H new ATOM 0 HB VAL A 9 12.840 19.131 0.362 1.00 3.33 H new ATOM 0 HG11 VAL A 9 12.060 20.872 -1.192 1.00 61.22 H new ATOM 0 HG12 VAL A 9 13.823 20.647 -1.281 1.00 61.22 H new ATOM 0 HG13 VAL A 9 12.775 19.973 -2.552 1.00 61.22 H new ATOM 0 HG21 VAL A 9 10.588 18.974 -0.617 1.00 61.34 H new ATOM 0 HG22 VAL A 9 11.241 17.995 -1.952 1.00 61.34 H new ATOM 0 HG23 VAL A 9 11.279 17.367 -0.288 1.00 61.34 H new ATOM 126 N LYS A 10 15.921 19.004 -1.702 1.00 20.23 N ATOM 127 CA LYS A 10 17.230 19.603 -1.469 1.00 14.25 C ATOM 128 C LYS A 10 17.181 21.114 -1.676 1.00 31.41 C ATOM 129 O LYS A 10 16.691 21.595 -2.699 1.00 22.33 O ATOM 130 CB LYS A 10 18.271 18.983 -2.402 1.00 63.23 C ATOM 131 CG LYS A 10 17.804 18.867 -3.843 1.00 64.10 C ATOM 132 CD LYS A 10 17.157 17.519 -4.113 1.00 22.12 C ATOM 133 CE LYS A 10 17.481 17.015 -5.511 1.00 13.10 C ATOM 134 NZ LYS A 10 18.865 16.473 -5.599 1.00 32.44 N ATOM 0 H LYS A 10 15.624 19.007 -2.678 1.00 20.23 H new ATOM 0 HA LYS A 10 17.514 19.404 -0.436 1.00 14.25 H new ATOM 0 HB2 LYS A 10 19.179 19.585 -2.371 1.00 63.23 H new ATOM 0 HB3 LYS A 10 18.533 17.991 -2.033 1.00 63.23 H new ATOM 0 HG2 LYS A 10 17.092 19.663 -4.061 1.00 64.10 H new ATOM 0 HG3 LYS A 10 18.652 19.005 -4.514 1.00 64.10 H new ATOM 0 HD2 LYS A 10 17.502 16.795 -3.375 1.00 22.12 H new ATOM 0 HD3 LYS A 10 16.076 17.603 -3.997 1.00 22.12 H new ATOM 0 HE2 LYS A 10 16.769 16.239 -5.791 1.00 13.10 H new ATOM 0 HE3 LYS A 10 17.364 17.829 -6.227 1.00 13.10 H new ATOM 0 HZ1 LYS A 10 19.046 16.140 -6.567 1.00 32.44 H new ATOM 0 HZ2 LYS A 10 19.547 17.220 -5.356 1.00 32.44 H new ATOM 0 HZ3 LYS A 10 18.970 15.680 -4.935 1.00 32.44 H new ATOM 148 N LEU A 11 17.692 21.857 -0.701 1.00 25.21 N ATOM 149 CA LEU A 11 17.709 23.313 -0.777 1.00 52.54 C ATOM 150 C LEU A 11 19.121 23.854 -0.575 1.00 70.54 C ATOM 151 O LEU A 11 19.892 23.320 0.223 1.00 50.14 O ATOM 152 CB LEU A 11 16.768 23.909 0.271 1.00 12.50 C ATOM 153 CG LEU A 11 15.320 23.420 0.229 1.00 32.20 C ATOM 154 CD1 LEU A 11 15.081 22.368 1.301 1.00 13.01 C ATOM 155 CD2 LEU A 11 14.357 24.586 0.399 1.00 3.14 C ATOM 0 H LEU A 11 18.100 21.475 0.152 1.00 25.21 H new ATOM 0 HA LEU A 11 17.368 23.603 -1.771 1.00 52.54 H new ATOM 0 HB2 LEU A 11 17.174 23.694 1.259 1.00 12.50 H new ATOM 0 HB3 LEU A 11 16.768 24.993 0.155 1.00 12.50 H new ATOM 0 HG LEU A 11 15.139 22.965 -0.745 1.00 32.20 H new ATOM 0 HD11 LEU A 11 14.045 22.032 1.256 1.00 13.01 H new ATOM 0 HD12 LEU A 11 15.745 21.520 1.133 1.00 13.01 H new ATOM 0 HD13 LEU A 11 15.281 22.797 2.283 1.00 13.01 H new ATOM 0 HD21 LEU A 11 13.331 24.219 0.366 1.00 3.14 H new ATOM 0 HD22 LEU A 11 14.538 25.071 1.358 1.00 3.14 H new ATOM 0 HD23 LEU A 11 14.511 25.305 -0.406 1.00 3.14 H new ATOM 167 N ARG A 12 19.452 24.916 -1.302 1.00 22.11 N ATOM 168 CA ARG A 12 20.771 25.529 -1.202 1.00 22.03 C ATOM 169 C ARG A 12 20.923 26.279 0.118 1.00 10.52 C ATOM 170 O ARG A 12 20.024 27.009 0.537 1.00 71.22 O ATOM 171 CB ARG A 12 21.003 26.484 -2.374 1.00 3.54 C ATOM 172 CG ARG A 12 22.286 26.208 -3.140 1.00 61.44 C ATOM 173 CD ARG A 12 22.371 27.046 -4.406 1.00 53.30 C ATOM 174 NE ARG A 12 21.372 26.648 -5.394 1.00 51.23 N ATOM 175 CZ ARG A 12 21.136 27.323 -6.514 1.00 12.34 C ATOM 176 NH1 ARG A 12 21.824 28.424 -6.786 1.00 35.34 N ATOM 177 NH2 ARG A 12 20.210 26.898 -7.364 1.00 23.40 N ATOM 0 H ARG A 12 18.825 25.370 -1.967 1.00 22.11 H new ATOM 0 HA ARG A 12 21.517 24.735 -1.237 1.00 22.03 H new ATOM 0 HB2 ARG A 12 20.159 26.416 -3.060 1.00 3.54 H new ATOM 0 HB3 ARG A 12 21.027 27.507 -1.999 1.00 3.54 H new ATOM 0 HG2 ARG A 12 23.144 26.421 -2.503 1.00 61.44 H new ATOM 0 HG3 ARG A 12 22.336 25.150 -3.399 1.00 61.44 H new ATOM 0 HD2 ARG A 12 22.233 28.098 -4.155 1.00 53.30 H new ATOM 0 HD3 ARG A 12 23.367 26.950 -4.838 1.00 53.30 H new ATOM 0 HE ARG A 12 20.825 25.806 -5.215 1.00 51.23 H new ATOM 0 HH11 ARG A 12 22.536 28.754 -6.135 1.00 35.34 H new ATOM 0 HH12 ARG A 12 21.641 28.940 -7.646 1.00 35.34 H new ATOM 0 HH21 ARG A 12 19.678 26.052 -7.158 1.00 23.40 H new ATOM 0 HH22 ARG A 12 20.030 27.417 -8.223 1.00 23.40 H new ATOM 191 N VAL A 13 22.067 26.095 0.770 1.00 72.12 N ATOM 192 CA VAL A 13 22.337 26.754 2.042 1.00 41.43 C ATOM 193 C VAL A 13 23.259 27.954 1.854 1.00 60.03 C ATOM 194 O VAL A 13 24.157 27.933 1.012 1.00 32.25 O ATOM 195 CB VAL A 13 22.976 25.784 3.053 1.00 75.32 C ATOM 196 CG1 VAL A 13 22.867 26.337 4.466 1.00 61.53 C ATOM 197 CG2 VAL A 13 22.325 24.412 2.957 1.00 24.30 C ATOM 0 H VAL A 13 22.822 25.495 0.438 1.00 72.12 H new ATOM 0 HA VAL A 13 21.377 27.093 2.432 1.00 41.43 H new ATOM 0 HB VAL A 13 24.033 25.678 2.811 1.00 75.32 H new ATOM 0 HG11 VAL A 13 23.324 25.638 5.167 1.00 61.53 H new ATOM 0 HG12 VAL A 13 23.382 27.296 4.522 1.00 61.53 H new ATOM 0 HG13 VAL A 13 21.817 26.474 4.723 1.00 61.53 H new ATOM 0 HG21 VAL A 13 22.788 23.738 3.678 1.00 24.30 H new ATOM 0 HG22 VAL A 13 21.260 24.499 3.173 1.00 24.30 H new ATOM 0 HG23 VAL A 13 22.460 24.015 1.951 1.00 24.30 H new ATOM 207 N GLU A 14 23.031 28.999 2.644 1.00 73.44 N ATOM 208 CA GLU A 14 23.841 30.208 2.563 1.00 25.13 C ATOM 209 C GLU A 14 24.808 30.294 3.741 1.00 1.00 C ATOM 210 O GLU A 14 25.770 31.060 3.714 1.00 40.41 O ATOM 211 CB GLU A 14 22.946 31.448 2.533 1.00 52.13 C ATOM 212 CG GLU A 14 23.710 32.746 2.334 1.00 41.11 C ATOM 213 CD GLU A 14 23.209 33.542 1.144 1.00 22.31 C ATOM 214 OE1 GLU A 14 23.455 33.111 -0.002 1.00 53.33 O ATOM 215 OE2 GLU A 14 22.572 34.594 1.359 1.00 5.10 O ATOM 0 H GLU A 14 22.292 29.032 3.347 1.00 73.44 H new ATOM 0 HA GLU A 14 24.420 30.165 1.641 1.00 25.13 H new ATOM 0 HB2 GLU A 14 22.216 31.339 1.731 1.00 52.13 H new ATOM 0 HB3 GLU A 14 22.387 31.505 3.467 1.00 52.13 H new ATOM 0 HG2 GLU A 14 23.626 33.354 3.235 1.00 41.11 H new ATOM 0 HG3 GLU A 14 24.768 32.523 2.198 1.00 41.11 H new ATOM 222 N GLY A 15 24.544 29.501 4.775 1.00 13.44 N ATOM 223 CA GLY A 15 25.398 29.503 5.949 1.00 53.43 C ATOM 224 C GLY A 15 26.387 28.355 5.947 1.00 4.34 C ATOM 225 O GLY A 15 27.145 28.180 6.901 1.00 64.42 O ATOM 0 H GLY A 15 23.754 28.857 4.821 1.00 13.44 H new ATOM 0 HA2 GLY A 15 25.941 30.447 5.998 1.00 53.43 H new ATOM 0 HA3 GLY A 15 24.780 29.444 6.845 1.00 53.43 H new ATOM 229 N MET A 16 26.380 27.571 4.875 1.00 73.23 N ATOM 230 CA MET A 16 27.284 26.433 4.754 1.00 32.12 C ATOM 231 C MET A 16 28.739 26.889 4.791 1.00 21.51 C ATOM 232 O MET A 16 29.034 28.035 5.132 1.00 34.30 O ATOM 233 CB MET A 16 27.009 25.671 3.456 1.00 33.24 C ATOM 234 CG MET A 16 27.090 24.161 3.610 1.00 73.34 C ATOM 235 SD MET A 16 25.522 23.342 3.258 1.00 23.33 S ATOM 236 CE MET A 16 24.718 23.450 4.855 1.00 23.11 C ATOM 0 H MET A 16 25.758 27.702 4.077 1.00 73.23 H new ATOM 0 HA MET A 16 27.108 25.769 5.600 1.00 32.12 H new ATOM 0 HB2 MET A 16 26.018 25.938 3.090 1.00 33.24 H new ATOM 0 HB3 MET A 16 27.725 25.990 2.698 1.00 33.24 H new ATOM 0 HG2 MET A 16 27.857 23.772 2.940 1.00 73.34 H new ATOM 0 HG3 MET A 16 27.402 23.919 4.626 1.00 73.34 H new ATOM 0 HE1 MET A 16 23.720 23.017 4.790 1.00 23.11 H new ATOM 0 HE2 MET A 16 25.303 22.904 5.595 1.00 23.11 H new ATOM 0 HE3 MET A 16 24.641 24.495 5.154 1.00 23.11 H new ATOM 246 N THR A 17 29.647 25.984 4.438 1.00 22.35 N ATOM 247 CA THR A 17 31.072 26.292 4.433 1.00 55.41 C ATOM 248 C THR A 17 31.595 26.499 5.850 1.00 71.14 C ATOM 249 O THR A 17 32.552 27.243 6.065 1.00 23.05 O ATOM 250 CB THR A 17 31.370 27.552 3.599 1.00 41.43 C ATOM 251 OG1 THR A 17 30.455 27.641 2.501 1.00 41.22 O ATOM 252 CG2 THR A 17 32.798 27.529 3.075 1.00 60.32 C ATOM 0 H THR A 17 29.421 25.032 4.152 1.00 22.35 H new ATOM 0 HA THR A 17 31.579 25.438 3.983 1.00 55.41 H new ATOM 0 HB THR A 17 31.250 28.423 4.243 1.00 41.43 H new ATOM 0 HG1 THR A 17 30.650 28.446 1.977 1.00 41.22 H new ATOM 0 HG21 THR A 17 32.985 28.429 2.489 1.00 60.32 H new ATOM 0 HG22 THR A 17 33.493 27.491 3.914 1.00 60.32 H new ATOM 0 HG23 THR A 17 32.941 26.650 2.446 1.00 60.32 H new ATOM 260 N CYS A 18 30.962 25.836 6.811 1.00 3.13 N ATOM 261 CA CYS A 18 31.365 25.947 8.209 1.00 52.51 C ATOM 262 C CYS A 18 31.815 24.596 8.754 1.00 2.23 C ATOM 263 O CYS A 18 32.653 24.528 9.653 1.00 31.42 O ATOM 264 CB CYS A 18 30.211 26.492 9.052 1.00 52.32 C ATOM 265 SG CYS A 18 30.719 27.169 10.649 1.00 0.25 S ATOM 0 H CYS A 18 30.168 25.216 6.649 1.00 3.13 H new ATOM 0 HA CYS A 18 32.205 26.639 8.266 1.00 52.51 H new ATOM 0 HB2 CYS A 18 29.698 27.270 8.486 1.00 52.32 H new ATOM 0 HB3 CYS A 18 29.490 25.693 9.221 1.00 52.32 H new ATOM 0 HG CYS A 18 29.674 27.606 11.287 1.00 0.25 H new ATOM 271 N GLN A 19 31.252 23.525 8.205 1.00 21.21 N ATOM 272 CA GLN A 19 31.595 22.175 8.639 1.00 54.51 C ATOM 273 C GLN A 19 31.268 21.979 10.116 1.00 40.04 C ATOM 274 O GLN A 19 32.164 21.810 10.942 1.00 1.15 O ATOM 275 CB GLN A 19 33.079 21.899 8.391 1.00 35.33 C ATOM 276 CG GLN A 19 33.442 20.424 8.462 1.00 45.52 C ATOM 277 CD GLN A 19 34.930 20.199 8.646 1.00 62.21 C ATOM 278 OE1 GLN A 19 35.475 20.423 9.727 1.00 33.54 O ATOM 279 NE2 GLN A 19 35.597 19.753 7.588 1.00 70.24 N ATOM 0 H GLN A 19 30.557 23.565 7.460 1.00 21.21 H new ATOM 0 HA GLN A 19 31.000 21.471 8.058 1.00 54.51 H new ATOM 0 HB2 GLN A 19 33.353 22.286 7.409 1.00 35.33 H new ATOM 0 HB3 GLN A 19 33.670 22.446 9.126 1.00 35.33 H new ATOM 0 HG2 GLN A 19 32.903 19.960 9.288 1.00 45.52 H new ATOM 0 HG3 GLN A 19 33.113 19.928 7.549 1.00 45.52 H new ATOM 0 HE21 GLN A 19 35.106 19.581 6.711 1.00 70.24 H new ATOM 0 HE22 GLN A 19 36.601 19.583 7.652 1.00 70.24 H new ATOM 288 N SER A 20 29.979 22.003 10.440 1.00 62.32 N ATOM 289 CA SER A 20 29.534 21.831 11.818 1.00 43.41 C ATOM 290 C SER A 20 28.012 21.868 11.906 1.00 53.52 C ATOM 291 O SER A 20 27.408 21.156 12.708 1.00 33.25 O ATOM 292 CB SER A 20 30.135 22.920 12.709 1.00 13.50 C ATOM 293 OG SER A 20 30.478 22.405 13.983 1.00 23.34 O ATOM 0 H SER A 20 29.225 22.140 9.767 1.00 62.32 H new ATOM 0 HA SER A 20 29.876 20.856 12.166 1.00 43.41 H new ATOM 0 HB2 SER A 20 31.022 23.337 12.231 1.00 13.50 H new ATOM 0 HB3 SER A 20 29.421 23.736 12.823 1.00 13.50 H new ATOM 0 HG SER A 20 30.861 23.120 14.533 1.00 23.34 H new ATOM 299 N CYS A 21 27.398 22.704 11.075 1.00 32.04 N ATOM 300 CA CYS A 21 25.945 22.836 11.059 1.00 62.22 C ATOM 301 C CYS A 21 25.284 21.518 10.668 1.00 21.04 C ATOM 302 O CYS A 21 24.195 21.194 11.141 1.00 35.20 O ATOM 303 CB CYS A 21 25.524 23.939 10.087 1.00 14.34 C ATOM 304 SG CYS A 21 26.088 23.683 8.389 1.00 62.11 S ATOM 0 H CYS A 21 27.883 23.300 10.404 1.00 32.04 H new ATOM 0 HA CYS A 21 25.617 23.102 12.064 1.00 62.22 H new ATOM 0 HB2 CYS A 21 24.437 24.015 10.090 1.00 14.34 H new ATOM 0 HB3 CYS A 21 25.911 24.892 10.447 1.00 14.34 H new ATOM 0 HG CYS A 21 25.680 24.667 7.643 1.00 62.11 H new ATOM 310 N VAL A 22 25.950 20.762 9.801 1.00 30.12 N ATOM 311 CA VAL A 22 25.427 19.479 9.346 1.00 1.13 C ATOM 312 C VAL A 22 25.118 18.562 10.525 1.00 44.44 C ATOM 313 O VAL A 22 24.059 17.939 10.578 1.00 35.41 O ATOM 314 CB VAL A 22 26.419 18.771 8.405 1.00 62.41 C ATOM 315 CG1 VAL A 22 25.875 17.416 7.977 1.00 40.31 C ATOM 316 CG2 VAL A 22 26.718 19.641 7.194 1.00 43.21 C ATOM 0 H VAL A 22 26.853 21.016 9.400 1.00 30.12 H new ATOM 0 HA VAL A 22 24.506 19.687 8.801 1.00 1.13 H new ATOM 0 HB VAL A 22 27.351 18.607 8.945 1.00 62.41 H new ATOM 0 HG11 VAL A 22 26.590 16.930 7.312 1.00 40.31 H new ATOM 0 HG12 VAL A 22 25.717 16.793 8.857 1.00 40.31 H new ATOM 0 HG13 VAL A 22 24.928 17.553 7.454 1.00 40.31 H new ATOM 0 HG21 VAL A 22 27.421 19.125 6.540 1.00 43.21 H new ATOM 0 HG22 VAL A 22 25.794 19.838 6.650 1.00 43.21 H new ATOM 0 HG23 VAL A 22 27.154 20.584 7.523 1.00 43.21 H new ATOM 326 N SER A 23 26.051 18.486 11.468 1.00 25.02 N ATOM 327 CA SER A 23 25.881 17.643 12.645 1.00 32.54 C ATOM 328 C SER A 23 24.721 18.137 13.505 1.00 44.32 C ATOM 329 O SER A 23 23.975 17.343 14.077 1.00 24.02 O ATOM 330 CB SER A 23 27.168 17.617 13.472 1.00 42.14 C ATOM 331 OG SER A 23 27.788 16.344 13.411 1.00 12.13 O ATOM 0 H SER A 23 26.933 18.998 11.440 1.00 25.02 H new ATOM 0 HA SER A 23 25.655 16.632 12.306 1.00 32.54 H new ATOM 0 HB2 SER A 23 27.856 18.378 13.104 1.00 42.14 H new ATOM 0 HB3 SER A 23 26.943 17.866 14.509 1.00 42.14 H new ATOM 0 HG SER A 23 28.609 16.354 13.946 1.00 12.13 H new ATOM 337 N SER A 24 24.577 19.456 13.590 1.00 72.10 N ATOM 338 CA SER A 24 23.511 20.058 14.382 1.00 1.42 C ATOM 339 C SER A 24 22.146 19.768 13.766 1.00 32.14 C ATOM 340 O SER A 24 21.188 19.455 14.474 1.00 54.41 O ATOM 341 CB SER A 24 23.722 21.570 14.494 1.00 72.33 C ATOM 342 OG SER A 24 24.883 21.868 15.249 1.00 41.42 O ATOM 0 H SER A 24 25.185 20.127 13.120 1.00 72.10 H new ATOM 0 HA SER A 24 23.541 19.619 15.379 1.00 1.42 H new ATOM 0 HB2 SER A 24 23.811 22.003 13.498 1.00 72.33 H new ATOM 0 HB3 SER A 24 22.851 22.028 14.964 1.00 72.33 H new ATOM 0 HG SER A 24 24.997 22.840 15.304 1.00 41.42 H new ATOM 348 N ILE A 25 22.066 19.873 12.444 1.00 14.43 N ATOM 349 CA ILE A 25 20.819 19.621 11.733 1.00 51.24 C ATOM 350 C ILE A 25 20.409 18.157 11.844 1.00 34.23 C ATOM 351 O ILE A 25 19.222 17.833 11.834 1.00 33.44 O ATOM 352 CB ILE A 25 20.934 19.998 10.244 1.00 43.22 C ATOM 353 CG1 ILE A 25 21.412 21.444 10.097 1.00 45.20 C ATOM 354 CG2 ILE A 25 19.598 19.803 9.543 1.00 63.43 C ATOM 355 CD1 ILE A 25 22.291 21.670 8.887 1.00 41.15 C ATOM 0 H ILE A 25 22.850 20.131 11.844 1.00 14.43 H new ATOM 0 HA ILE A 25 20.058 20.246 12.200 1.00 51.24 H new ATOM 0 HB ILE A 25 21.668 19.343 9.775 1.00 43.22 H new ATOM 0 HG12 ILE A 25 20.544 22.100 10.033 1.00 45.20 H new ATOM 0 HG13 ILE A 25 21.962 21.729 10.994 1.00 45.20 H new ATOM 0 HG21 ILE A 25 19.696 20.074 8.492 1.00 63.43 H new ATOM 0 HG22 ILE A 25 19.294 18.759 9.622 1.00 63.43 H new ATOM 0 HG23 ILE A 25 18.845 20.436 10.012 1.00 63.43 H new ATOM 0 HD11 ILE A 25 22.592 22.717 8.847 1.00 41.15 H new ATOM 0 HD12 ILE A 25 23.177 21.040 8.958 1.00 41.15 H new ATOM 0 HD13 ILE A 25 21.738 21.417 7.983 1.00 41.15 H new ATOM 367 N GLU A 26 21.399 17.277 11.952 1.00 23.12 N ATOM 368 CA GLU A 26 21.140 15.846 12.067 1.00 4.51 C ATOM 369 C GLU A 26 20.354 15.536 13.338 1.00 43.14 C ATOM 370 O GLU A 26 19.476 14.675 13.342 1.00 14.02 O ATOM 371 CB GLU A 26 22.456 15.066 12.065 1.00 63.31 C ATOM 372 CG GLU A 26 22.581 14.087 10.910 1.00 63.43 C ATOM 373 CD GLU A 26 21.837 12.790 11.161 1.00 30.41 C ATOM 374 OE1 GLU A 26 21.416 12.562 12.315 1.00 55.34 O ATOM 375 OE2 GLU A 26 21.676 12.002 10.205 1.00 1.34 O ATOM 0 H GLU A 26 22.387 17.529 11.962 1.00 23.12 H new ATOM 0 HA GLU A 26 20.543 15.540 11.208 1.00 4.51 H new ATOM 0 HB2 GLU A 26 23.286 15.771 12.024 1.00 63.31 H new ATOM 0 HB3 GLU A 26 22.547 14.520 13.004 1.00 63.31 H new ATOM 0 HG2 GLU A 26 22.197 14.552 10.002 1.00 63.43 H new ATOM 0 HG3 GLU A 26 23.635 13.869 10.736 1.00 63.43 H new ATOM 382 N GLY A 27 20.678 16.245 14.415 1.00 22.31 N ATOM 383 CA GLY A 27 19.994 16.030 15.677 1.00 4.50 C ATOM 384 C GLY A 27 18.513 16.338 15.593 1.00 14.51 C ATOM 385 O GLY A 27 17.701 15.718 16.281 1.00 45.11 O ATOM 0 H GLY A 27 21.401 16.964 14.436 1.00 22.31 H new ATOM 0 HA2 GLY A 27 20.129 14.994 15.988 1.00 4.50 H new ATOM 0 HA3 GLY A 27 20.449 16.656 16.445 1.00 4.50 H new ATOM 389 N LYS A 28 18.157 17.301 14.749 1.00 71.11 N ATOM 390 CA LYS A 28 16.763 17.692 14.577 1.00 73.32 C ATOM 391 C LYS A 28 15.935 16.530 14.037 1.00 34.13 C ATOM 392 O LYS A 28 14.774 16.357 14.409 1.00 31.40 O ATOM 393 CB LYS A 28 16.660 18.889 13.629 1.00 64.55 C ATOM 394 CG LYS A 28 16.881 20.227 14.312 1.00 31.21 C ATOM 395 CD LYS A 28 15.830 20.489 15.378 1.00 72.43 C ATOM 396 CE LYS A 28 15.692 21.975 15.671 1.00 32.43 C ATOM 397 NZ LYS A 28 15.240 22.224 17.068 1.00 12.31 N ATOM 0 H LYS A 28 18.816 17.825 14.173 1.00 71.11 H new ATOM 0 HA LYS A 28 16.368 17.975 15.553 1.00 73.32 H new ATOM 0 HB2 LYS A 28 17.392 18.773 12.830 1.00 64.55 H new ATOM 0 HB3 LYS A 28 15.675 18.888 13.161 1.00 64.55 H new ATOM 0 HG2 LYS A 28 17.872 20.246 14.765 1.00 31.21 H new ATOM 0 HG3 LYS A 28 16.854 21.024 13.569 1.00 31.21 H new ATOM 0 HD2 LYS A 28 14.870 20.091 15.049 1.00 72.43 H new ATOM 0 HD3 LYS A 28 16.098 19.960 16.293 1.00 72.43 H new ATOM 0 HE2 LYS A 28 16.650 22.468 15.506 1.00 32.43 H new ATOM 0 HE3 LYS A 28 14.980 22.418 14.974 1.00 32.43 H new ATOM 0 HZ1 LYS A 28 15.158 23.248 17.229 1.00 12.31 H new ATOM 0 HZ2 LYS A 28 14.314 21.775 17.219 1.00 12.31 H new ATOM 0 HZ3 LYS A 28 15.932 21.823 17.733 1.00 12.31 H new ATOM 411 N VAL A 29 16.539 15.735 13.160 1.00 42.43 N ATOM 412 CA VAL A 29 15.858 14.588 12.571 1.00 3.32 C ATOM 413 C VAL A 29 15.248 13.700 13.649 1.00 75.52 C ATOM 414 O VAL A 29 14.104 13.260 13.530 1.00 33.04 O ATOM 415 CB VAL A 29 16.819 13.746 11.710 1.00 11.44 C ATOM 416 CG1 VAL A 29 16.173 12.423 11.328 1.00 2.24 C ATOM 417 CG2 VAL A 29 17.240 14.521 10.471 1.00 65.12 C ATOM 0 H VAL A 29 17.499 15.864 12.841 1.00 42.43 H new ATOM 0 HA VAL A 29 15.064 14.982 11.936 1.00 3.32 H new ATOM 0 HB VAL A 29 17.712 13.530 12.297 1.00 11.44 H new ATOM 0 HG11 VAL A 29 16.866 11.842 10.720 1.00 2.24 H new ATOM 0 HG12 VAL A 29 15.926 11.865 12.231 1.00 2.24 H new ATOM 0 HG13 VAL A 29 15.263 12.613 10.759 1.00 2.24 H new ATOM 0 HG21 VAL A 29 17.919 13.912 9.874 1.00 65.12 H new ATOM 0 HG22 VAL A 29 16.358 14.768 9.879 1.00 65.12 H new ATOM 0 HG23 VAL A 29 17.745 15.439 10.770 1.00 65.12 H new ATOM 427 N ARG A 30 16.018 13.439 14.700 1.00 51.10 N ATOM 428 CA ARG A 30 15.553 12.602 15.799 1.00 31.22 C ATOM 429 C ARG A 30 14.363 13.244 16.506 1.00 32.00 C ATOM 430 O ARG A 30 13.552 12.558 17.128 1.00 32.33 O ATOM 431 CB ARG A 30 16.685 12.362 16.800 1.00 70.54 C ATOM 432 CG ARG A 30 16.366 11.297 17.836 1.00 32.23 C ATOM 433 CD ARG A 30 16.271 9.916 17.206 1.00 54.21 C ATOM 434 NE ARG A 30 16.015 8.877 18.200 1.00 44.11 N ATOM 435 CZ ARG A 30 16.181 7.580 17.966 1.00 32.00 C ATOM 436 NH1 ARG A 30 16.599 7.165 16.778 1.00 3.23 N ATOM 437 NH2 ARG A 30 15.928 6.695 18.922 1.00 72.24 N ATOM 0 H ARG A 30 16.967 13.795 14.814 1.00 51.10 H new ATOM 0 HA ARG A 30 15.235 11.646 15.384 1.00 31.22 H new ATOM 0 HB2 ARG A 30 17.584 12.070 16.256 1.00 70.54 H new ATOM 0 HB3 ARG A 30 16.911 13.298 17.311 1.00 70.54 H new ATOM 0 HG2 ARG A 30 17.138 11.294 18.606 1.00 32.23 H new ATOM 0 HG3 ARG A 30 15.424 11.538 18.329 1.00 32.23 H new ATOM 0 HD2 ARG A 30 15.474 9.911 16.463 1.00 54.21 H new ATOM 0 HD3 ARG A 30 17.199 9.693 16.680 1.00 54.21 H new ATOM 0 HE ARG A 30 15.691 9.163 19.124 1.00 44.11 H new ATOM 0 HH11 ARG A 30 16.794 7.842 16.041 1.00 3.23 H new ATOM 0 HH12 ARG A 30 16.726 6.168 16.601 1.00 3.23 H new ATOM 0 HH21 ARG A 30 15.606 7.011 19.837 1.00 72.24 H new ATOM 0 HH22 ARG A 30 16.056 5.699 18.742 1.00 72.24 H new ATOM 451 N LYS A 31 14.265 14.565 16.406 1.00 14.33 N ATOM 452 CA LYS A 31 13.174 15.302 17.035 1.00 62.44 C ATOM 453 C LYS A 31 12.012 15.486 16.064 1.00 0.10 C ATOM 454 O LYS A 31 10.899 15.824 16.469 1.00 31.44 O ATOM 455 CB LYS A 31 13.667 16.666 17.522 1.00 50.00 C ATOM 456 CG LYS A 31 14.751 16.578 18.582 1.00 63.01 C ATOM 457 CD LYS A 31 14.170 16.256 19.949 1.00 63.04 C ATOM 458 CE LYS A 31 13.727 17.516 20.677 1.00 71.35 C ATOM 459 NZ LYS A 31 12.334 17.902 20.318 1.00 30.04 N ATOM 0 H LYS A 31 14.928 15.148 15.895 1.00 14.33 H new ATOM 0 HA LYS A 31 12.823 14.724 17.890 1.00 62.44 H new ATOM 0 HB2 LYS A 31 14.048 17.230 16.671 1.00 50.00 H new ATOM 0 HB3 LYS A 31 12.822 17.226 17.924 1.00 50.00 H new ATOM 0 HG2 LYS A 31 15.473 15.811 18.303 1.00 63.01 H new ATOM 0 HG3 LYS A 31 15.292 17.523 18.629 1.00 63.01 H new ATOM 0 HD2 LYS A 31 13.320 15.583 19.835 1.00 63.04 H new ATOM 0 HD3 LYS A 31 14.915 15.731 20.548 1.00 63.04 H new ATOM 0 HE2 LYS A 31 13.794 17.356 21.753 1.00 71.35 H new ATOM 0 HE3 LYS A 31 14.405 18.334 20.433 1.00 71.35 H new ATOM 0 HZ1 LYS A 31 11.862 18.312 21.149 1.00 30.04 H new ATOM 0 HZ2 LYS A 31 12.355 18.604 19.551 1.00 30.04 H new ATOM 0 HZ3 LYS A 31 11.811 17.060 20.003 1.00 30.04 H new ATOM 473 N LEU A 32 12.277 15.261 14.782 1.00 52.42 N ATOM 474 CA LEU A 32 11.252 15.401 13.753 1.00 10.40 C ATOM 475 C LEU A 32 10.297 14.212 13.770 1.00 23.20 C ATOM 476 O LEU A 32 10.724 13.064 13.888 1.00 23.32 O ATOM 477 CB LEU A 32 11.900 15.530 12.374 1.00 64.24 C ATOM 478 CG LEU A 32 12.005 16.948 11.811 1.00 61.44 C ATOM 479 CD1 LEU A 32 10.622 17.549 11.619 1.00 53.41 C ATOM 480 CD2 LEU A 32 12.848 17.824 12.726 1.00 72.02 C ATOM 0 H LEU A 32 13.192 14.981 14.430 1.00 52.42 H new ATOM 0 HA LEU A 32 10.681 16.305 13.965 1.00 10.40 H new ATOM 0 HB2 LEU A 32 12.903 15.106 12.425 1.00 64.24 H new ATOM 0 HB3 LEU A 32 11.332 14.922 11.670 1.00 64.24 H new ATOM 0 HG LEU A 32 12.495 16.897 10.838 1.00 61.44 H new ATOM 0 HD11 LEU A 32 10.716 18.558 11.218 1.00 53.41 H new ATOM 0 HD12 LEU A 32 10.051 16.934 10.923 1.00 53.41 H new ATOM 0 HD13 LEU A 32 10.105 17.587 12.578 1.00 53.41 H new ATOM 0 HD21 LEU A 32 12.912 18.829 12.310 1.00 72.02 H new ATOM 0 HD22 LEU A 32 12.387 17.869 13.713 1.00 72.02 H new ATOM 0 HD23 LEU A 32 13.850 17.403 12.812 1.00 72.02 H new ATOM 492 N GLN A 33 9.004 14.495 13.649 1.00 5.41 N ATOM 493 CA GLN A 33 7.990 13.448 13.649 1.00 10.11 C ATOM 494 C GLN A 33 7.799 12.876 12.249 1.00 74.44 C ATOM 495 O GLN A 33 7.665 11.665 12.075 1.00 55.11 O ATOM 496 CB GLN A 33 6.662 13.995 14.175 1.00 11.31 C ATOM 497 CG GLN A 33 6.118 15.158 13.361 1.00 75.33 C ATOM 498 CD GLN A 33 4.860 15.754 13.963 1.00 63.25 C ATOM 499 OE1 GLN A 33 3.746 15.353 13.625 1.00 21.53 O ATOM 500 NE2 GLN A 33 5.033 16.718 14.860 1.00 74.34 N ATOM 0 H GLN A 33 8.634 15.440 13.550 1.00 5.41 H new ATOM 0 HA GLN A 33 8.330 12.647 14.306 1.00 10.11 H new ATOM 0 HB2 GLN A 33 5.925 13.192 14.183 1.00 11.31 H new ATOM 0 HB3 GLN A 33 6.794 14.316 15.208 1.00 11.31 H new ATOM 0 HG2 GLN A 33 6.882 15.932 13.285 1.00 75.33 H new ATOM 0 HG3 GLN A 33 5.906 14.819 12.347 1.00 75.33 H new ATOM 0 HE21 GLN A 33 5.975 17.019 15.110 1.00 74.34 H new ATOM 0 HE22 GLN A 33 4.224 17.157 15.299 1.00 74.34 H new ATOM 509 N GLY A 34 7.787 13.755 11.251 1.00 15.14 N ATOM 510 CA GLY A 34 7.610 13.318 9.879 1.00 63.02 C ATOM 511 C GLY A 34 8.930 13.062 9.178 1.00 52.31 C ATOM 512 O GLY A 34 9.169 11.967 8.670 1.00 62.14 O ATOM 0 H GLY A 34 7.897 14.762 11.369 1.00 15.14 H new ATOM 0 HA2 GLY A 34 7.012 12.407 9.865 1.00 63.02 H new ATOM 0 HA3 GLY A 34 7.051 14.075 9.329 1.00 63.02 H new ATOM 516 N VAL A 35 9.789 14.076 9.148 1.00 12.45 N ATOM 517 CA VAL A 35 11.091 13.957 8.504 1.00 61.31 C ATOM 518 C VAL A 35 11.770 12.643 8.876 1.00 10.43 C ATOM 519 O VAL A 35 11.767 12.238 10.039 1.00 50.22 O ATOM 520 CB VAL A 35 12.017 15.127 8.887 1.00 75.12 C ATOM 521 CG1 VAL A 35 13.246 14.617 9.623 1.00 60.30 C ATOM 522 CG2 VAL A 35 12.415 15.917 7.650 1.00 64.04 C ATOM 0 H VAL A 35 9.606 14.990 9.563 1.00 12.45 H new ATOM 0 HA VAL A 35 10.915 13.980 7.429 1.00 61.31 H new ATOM 0 HB VAL A 35 11.474 15.794 9.557 1.00 75.12 H new ATOM 0 HG11 VAL A 35 13.888 15.458 9.885 1.00 60.30 H new ATOM 0 HG12 VAL A 35 12.937 14.099 10.531 1.00 60.30 H new ATOM 0 HG13 VAL A 35 13.795 13.928 8.981 1.00 60.30 H new ATOM 0 HG21 VAL A 35 13.069 16.740 7.939 1.00 64.04 H new ATOM 0 HG22 VAL A 35 12.940 15.263 6.954 1.00 64.04 H new ATOM 0 HG23 VAL A 35 11.521 16.315 7.170 1.00 64.04 H new ATOM 532 N VAL A 36 12.352 11.982 7.881 1.00 24.33 N ATOM 533 CA VAL A 36 13.037 10.714 8.104 1.00 5.10 C ATOM 534 C VAL A 36 14.519 10.933 8.387 1.00 25.41 C ATOM 535 O VAL A 36 15.072 10.366 9.330 1.00 70.42 O ATOM 536 CB VAL A 36 12.891 9.776 6.891 1.00 14.12 C ATOM 537 CG1 VAL A 36 13.180 8.337 7.291 1.00 42.24 C ATOM 538 CG2 VAL A 36 11.500 9.901 6.287 1.00 20.21 C ATOM 0 H VAL A 36 12.363 12.303 6.913 1.00 24.33 H new ATOM 0 HA VAL A 36 12.569 10.249 8.972 1.00 5.10 H new ATOM 0 HB VAL A 36 13.619 10.071 6.135 1.00 14.12 H new ATOM 0 HG11 VAL A 36 13.072 7.689 6.421 1.00 42.24 H new ATOM 0 HG12 VAL A 36 14.198 8.263 7.674 1.00 42.24 H new ATOM 0 HG13 VAL A 36 12.478 8.026 8.064 1.00 42.24 H new ATOM 0 HG21 VAL A 36 11.414 9.232 5.431 1.00 20.21 H new ATOM 0 HG22 VAL A 36 10.753 9.633 7.034 1.00 20.21 H new ATOM 0 HG23 VAL A 36 11.335 10.928 5.962 1.00 20.21 H new ATOM 548 N ARG A 37 15.158 11.759 7.565 1.00 72.33 N ATOM 549 CA ARG A 37 16.577 12.052 7.726 1.00 13.00 C ATOM 550 C ARG A 37 16.989 13.237 6.858 1.00 41.12 C ATOM 551 O ARG A 37 16.328 13.556 5.870 1.00 52.14 O ATOM 552 CB ARG A 37 17.417 10.825 7.366 1.00 40.51 C ATOM 553 CG ARG A 37 18.275 10.317 8.513 1.00 35.51 C ATOM 554 CD ARG A 37 18.303 8.797 8.556 1.00 70.34 C ATOM 555 NE ARG A 37 18.880 8.295 9.800 1.00 70.32 N ATOM 556 CZ ARG A 37 19.127 7.010 10.029 1.00 23.14 C ATOM 557 NH1 ARG A 37 18.850 6.102 9.104 1.00 52.34 N ATOM 558 NH2 ARG A 37 19.654 6.631 11.187 1.00 73.11 N ATOM 0 H ARG A 37 14.715 12.237 6.780 1.00 72.33 H new ATOM 0 HA ARG A 37 16.753 12.310 8.770 1.00 13.00 H new ATOM 0 HB2 ARG A 37 16.754 10.025 7.037 1.00 40.51 H new ATOM 0 HB3 ARG A 37 18.062 11.071 6.522 1.00 40.51 H new ATOM 0 HG2 ARG A 37 19.291 10.698 8.406 1.00 35.51 H new ATOM 0 HG3 ARG A 37 17.888 10.702 9.457 1.00 35.51 H new ATOM 0 HD2 ARG A 37 17.289 8.413 8.446 1.00 70.34 H new ATOM 0 HD3 ARG A 37 18.880 8.421 7.711 1.00 70.34 H new ATOM 0 HE ARG A 37 19.106 8.968 10.533 1.00 70.32 H new ATOM 0 HH11 ARG A 37 18.446 6.389 8.213 1.00 52.34 H new ATOM 0 HH12 ARG A 37 19.041 5.116 9.284 1.00 52.34 H new ATOM 0 HH21 ARG A 37 19.869 7.327 11.901 1.00 73.11 H new ATOM 0 HH22 ARG A 37 19.843 5.644 11.362 1.00 73.11 H new ATOM 572 N VAL A 38 18.086 13.887 7.234 1.00 22.41 N ATOM 573 CA VAL A 38 18.587 15.036 6.490 1.00 23.11 C ATOM 574 C VAL A 38 20.068 14.876 6.164 1.00 50.31 C ATOM 575 O VAL A 38 20.891 14.655 7.053 1.00 51.53 O ATOM 576 CB VAL A 38 18.384 16.345 7.276 1.00 43.12 C ATOM 577 CG1 VAL A 38 16.903 16.615 7.490 1.00 12.10 C ATOM 578 CG2 VAL A 38 19.122 16.288 8.605 1.00 51.11 C ATOM 0 H VAL A 38 18.645 13.637 8.050 1.00 22.41 H new ATOM 0 HA VAL A 38 18.017 15.086 5.562 1.00 23.11 H new ATOM 0 HB VAL A 38 18.798 17.167 6.692 1.00 43.12 H new ATOM 0 HG11 VAL A 38 16.779 17.544 8.047 1.00 12.10 H new ATOM 0 HG12 VAL A 38 16.406 16.702 6.524 1.00 12.10 H new ATOM 0 HG13 VAL A 38 16.461 15.793 8.053 1.00 12.10 H new ATOM 0 HG21 VAL A 38 18.968 17.221 9.147 1.00 51.11 H new ATOM 0 HG22 VAL A 38 18.741 15.457 9.198 1.00 51.11 H new ATOM 0 HG23 VAL A 38 20.187 16.146 8.424 1.00 51.11 H new ATOM 588 N LYS A 39 20.401 14.990 4.883 1.00 65.12 N ATOM 589 CA LYS A 39 21.784 14.860 4.437 1.00 13.20 C ATOM 590 C LYS A 39 22.300 16.180 3.873 1.00 13.34 C ATOM 591 O LYS A 39 21.734 16.725 2.925 1.00 2.44 O ATOM 592 CB LYS A 39 21.899 13.762 3.378 1.00 73.51 C ATOM 593 CG LYS A 39 23.288 13.639 2.777 1.00 41.43 C ATOM 594 CD LYS A 39 23.316 12.636 1.636 1.00 53.44 C ATOM 595 CE LYS A 39 23.138 11.213 2.140 1.00 34.34 C ATOM 596 NZ LYS A 39 23.212 10.219 1.034 1.00 35.42 N ATOM 0 H LYS A 39 19.732 15.172 4.135 1.00 65.12 H new ATOM 0 HA LYS A 39 22.393 14.590 5.299 1.00 13.20 H new ATOM 0 HB2 LYS A 39 21.620 12.808 3.825 1.00 73.51 H new ATOM 0 HB3 LYS A 39 21.184 13.962 2.580 1.00 73.51 H new ATOM 0 HG2 LYS A 39 23.616 14.613 2.414 1.00 41.43 H new ATOM 0 HG3 LYS A 39 23.994 13.333 3.549 1.00 41.43 H new ATOM 0 HD2 LYS A 39 22.526 12.872 0.923 1.00 53.44 H new ATOM 0 HD3 LYS A 39 24.262 12.718 1.101 1.00 53.44 H new ATOM 0 HE2 LYS A 39 23.907 10.991 2.880 1.00 34.34 H new ATOM 0 HE3 LYS A 39 22.176 11.124 2.644 1.00 34.34 H new ATOM 0 HZ1 LYS A 39 23.086 9.261 1.419 1.00 35.42 H new ATOM 0 HZ2 LYS A 39 22.462 10.415 0.341 1.00 35.42 H new ATOM 0 HZ3 LYS A 39 24.140 10.286 0.569 1.00 35.42 H new ATOM 610 N VAL A 40 23.378 16.689 4.462 1.00 73.22 N ATOM 611 CA VAL A 40 23.972 17.944 4.016 1.00 34.34 C ATOM 612 C VAL A 40 25.348 17.713 3.403 1.00 2.22 C ATOM 613 O VAL A 40 26.166 16.972 3.949 1.00 52.24 O ATOM 614 CB VAL A 40 24.101 18.947 5.178 1.00 54.01 C ATOM 615 CG1 VAL A 40 24.710 20.253 4.691 1.00 60.33 C ATOM 616 CG2 VAL A 40 22.745 19.190 5.824 1.00 2.24 C ATOM 0 H VAL A 40 23.857 16.252 5.249 1.00 73.22 H new ATOM 0 HA VAL A 40 23.306 18.359 3.260 1.00 34.34 H new ATOM 0 HB VAL A 40 24.766 18.522 5.930 1.00 54.01 H new ATOM 0 HG11 VAL A 40 24.793 20.949 5.526 1.00 60.33 H new ATOM 0 HG12 VAL A 40 25.700 20.061 4.278 1.00 60.33 H new ATOM 0 HG13 VAL A 40 24.073 20.686 3.920 1.00 60.33 H new ATOM 0 HG21 VAL A 40 22.854 19.901 6.643 1.00 2.24 H new ATOM 0 HG22 VAL A 40 22.056 19.594 5.082 1.00 2.24 H new ATOM 0 HG23 VAL A 40 22.352 18.249 6.210 1.00 2.24 H new ATOM 626 N SER A 41 25.598 18.354 2.266 1.00 71.55 N ATOM 627 CA SER A 41 26.875 18.216 1.575 1.00 21.14 C ATOM 628 C SER A 41 27.667 19.519 1.633 1.00 21.45 C ATOM 629 O SER A 41 27.330 20.494 0.961 1.00 3.31 O ATOM 630 CB SER A 41 26.650 17.807 0.118 1.00 1.24 C ATOM 631 OG SER A 41 27.872 17.457 -0.508 1.00 22.24 O ATOM 0 H SER A 41 24.933 18.974 1.804 1.00 71.55 H new ATOM 0 HA SER A 41 27.450 17.438 2.078 1.00 21.14 H new ATOM 0 HB2 SER A 41 25.962 16.963 0.076 1.00 1.24 H new ATOM 0 HB3 SER A 41 26.182 18.628 -0.425 1.00 1.24 H new ATOM 0 HG SER A 41 27.701 17.198 -1.438 1.00 22.24 H new ATOM 637 N LEU A 42 28.721 19.527 2.442 1.00 63.14 N ATOM 638 CA LEU A 42 29.563 20.709 2.589 1.00 42.20 C ATOM 639 C LEU A 42 30.323 21.001 1.299 1.00 52.01 C ATOM 640 O LEU A 42 30.628 22.154 0.994 1.00 64.22 O ATOM 641 CB LEU A 42 30.549 20.517 3.743 1.00 62.15 C ATOM 642 CG LEU A 42 31.420 21.725 4.090 1.00 61.25 C ATOM 643 CD1 LEU A 42 30.752 22.575 5.159 1.00 52.24 C ATOM 644 CD2 LEU A 42 32.799 21.274 4.549 1.00 70.21 C ATOM 0 H LEU A 42 29.013 18.729 3.006 1.00 63.14 H new ATOM 0 HA LEU A 42 28.917 21.559 2.808 1.00 42.20 H new ATOM 0 HB2 LEU A 42 29.986 20.233 4.632 1.00 62.15 H new ATOM 0 HB3 LEU A 42 31.204 19.680 3.500 1.00 62.15 H new ATOM 0 HG LEU A 42 31.539 22.333 3.193 1.00 61.25 H new ATOM 0 HD11 LEU A 42 31.386 23.430 5.393 1.00 52.24 H new ATOM 0 HD12 LEU A 42 29.788 22.928 4.793 1.00 52.24 H new ATOM 0 HD13 LEU A 42 30.602 21.977 6.058 1.00 52.24 H new ATOM 0 HD21 LEU A 42 33.405 22.147 4.792 1.00 70.21 H new ATOM 0 HD22 LEU A 42 32.700 20.644 5.433 1.00 70.21 H new ATOM 0 HD23 LEU A 42 33.281 20.708 3.752 1.00 70.21 H new ATOM 656 N SER A 43 30.623 19.949 0.544 1.00 72.10 N ATOM 657 CA SER A 43 31.348 20.092 -0.713 1.00 21.10 C ATOM 658 C SER A 43 30.469 20.744 -1.776 1.00 62.32 C ATOM 659 O SER A 43 30.961 21.448 -2.657 1.00 72.20 O ATOM 660 CB SER A 43 31.835 18.727 -1.204 1.00 35.13 C ATOM 661 OG SER A 43 33.058 18.369 -0.586 1.00 5.25 O ATOM 0 H SER A 43 30.375 18.988 0.781 1.00 72.10 H new ATOM 0 HA SER A 43 32.210 20.735 -0.535 1.00 21.10 H new ATOM 0 HB2 SER A 43 31.081 17.970 -0.990 1.00 35.13 H new ATOM 0 HB3 SER A 43 31.964 18.751 -2.286 1.00 35.13 H new ATOM 0 HG SER A 43 33.347 17.492 -0.915 1.00 5.25 H new ATOM 667 N ASN A 44 29.165 20.503 -1.686 1.00 63.30 N ATOM 668 CA ASN A 44 28.216 21.065 -2.640 1.00 44.21 C ATOM 669 C ASN A 44 27.501 22.275 -2.047 1.00 43.40 C ATOM 670 O ASN A 44 26.677 22.906 -2.708 1.00 42.41 O ATOM 671 CB ASN A 44 27.192 20.007 -3.057 1.00 4.34 C ATOM 672 CG ASN A 44 26.637 20.256 -4.446 1.00 31.34 C ATOM 673 OD1 ASN A 44 26.789 19.275 -5.328 1.00 21.13 O flip ATOM 674 ND2 ASN A 44 26.077 21.317 -4.722 1.00 24.02 N flip ATOM 0 H ASN A 44 28.742 19.922 -0.962 1.00 63.30 H new ATOM 0 HA ASN A 44 28.772 21.389 -3.520 1.00 44.21 H new ATOM 0 HB2 ASN A 44 27.658 19.022 -3.026 1.00 4.34 H new ATOM 0 HB3 ASN A 44 26.373 19.995 -2.338 1.00 4.34 H new ATOM 0 HD21 ASN A 44 25.983 22.044 -4.012 1.00 24.02 H new ATOM 0 HD22 ASN A 44 25.707 21.470 -5.660 1.00 24.02 H new ATOM 681 N GLN A 45 27.824 22.592 -0.797 1.00 53.52 N ATOM 682 CA GLN A 45 27.212 23.727 -0.115 1.00 71.14 C ATOM 683 C GLN A 45 25.692 23.671 -0.223 1.00 14.32 C ATOM 684 O GLN A 45 25.037 24.693 -0.426 1.00 41.23 O ATOM 685 CB GLN A 45 27.729 25.041 -0.703 1.00 12.31 C ATOM 686 CG GLN A 45 29.238 25.076 -0.882 1.00 71.44 C ATOM 687 CD GLN A 45 29.789 26.487 -0.923 1.00 11.44 C ATOM 688 OE1 GLN A 45 29.122 27.438 -0.514 1.00 11.30 O ATOM 689 NE2 GLN A 45 31.013 26.632 -1.417 1.00 30.43 N ATOM 0 H GLN A 45 28.505 22.080 -0.236 1.00 53.52 H new ATOM 0 HA GLN A 45 27.485 23.676 0.939 1.00 71.14 H new ATOM 0 HB2 GLN A 45 27.253 25.209 -1.669 1.00 12.31 H new ATOM 0 HB3 GLN A 45 27.430 25.863 -0.053 1.00 12.31 H new ATOM 0 HG2 GLN A 45 29.710 24.530 -0.065 1.00 71.44 H new ATOM 0 HG3 GLN A 45 29.502 24.560 -1.805 1.00 71.44 H new ATOM 0 HE21 GLN A 45 31.531 25.816 -1.745 1.00 30.43 H new ATOM 0 HE22 GLN A 45 31.436 27.559 -1.469 1.00 30.43 H new ATOM 698 N GLU A 46 25.137 22.471 -0.085 1.00 50.00 N ATOM 699 CA GLU A 46 23.693 22.283 -0.168 1.00 43.31 C ATOM 700 C GLU A 46 23.186 21.440 0.999 1.00 43.35 C ATOM 701 O GLU A 46 23.964 20.772 1.679 1.00 12.45 O ATOM 702 CB GLU A 46 23.319 21.617 -1.494 1.00 13.13 C ATOM 703 CG GLU A 46 23.423 20.102 -1.464 1.00 71.41 C ATOM 704 CD GLU A 46 23.894 19.523 -2.784 1.00 44.32 C ATOM 705 OE1 GLU A 46 23.708 20.190 -3.823 1.00 45.55 O ATOM 706 OE2 GLU A 46 24.449 18.404 -2.778 1.00 53.53 O ATOM 0 H GLU A 46 25.665 21.615 0.085 1.00 50.00 H new ATOM 0 HA GLU A 46 23.221 23.264 -0.117 1.00 43.31 H new ATOM 0 HB2 GLU A 46 22.299 21.898 -1.757 1.00 13.13 H new ATOM 0 HB3 GLU A 46 23.968 22.002 -2.280 1.00 13.13 H new ATOM 0 HG2 GLU A 46 24.113 19.805 -0.674 1.00 71.41 H new ATOM 0 HG3 GLU A 46 22.450 19.680 -1.213 1.00 71.41 H new ATOM 713 N ALA A 47 21.877 21.478 1.223 1.00 71.33 N ATOM 714 CA ALA A 47 21.265 20.717 2.305 1.00 21.11 C ATOM 715 C ALA A 47 20.070 19.914 1.804 1.00 35.22 C ATOM 716 O ALA A 47 19.153 20.462 1.192 1.00 50.20 O ATOM 717 CB ALA A 47 20.843 21.648 3.432 1.00 41.21 C ATOM 0 H ALA A 47 21.220 22.028 0.670 1.00 71.33 H new ATOM 0 HA ALA A 47 22.006 20.015 2.687 1.00 21.11 H new ATOM 0 HB1 ALA A 47 20.387 21.066 4.233 1.00 41.21 H new ATOM 0 HB2 ALA A 47 21.717 22.173 3.817 1.00 41.21 H new ATOM 0 HB3 ALA A 47 20.122 22.373 3.054 1.00 41.21 H new ATOM 723 N VAL A 48 20.085 18.611 2.068 1.00 64.15 N ATOM 724 CA VAL A 48 19.002 17.732 1.644 1.00 40.14 C ATOM 725 C VAL A 48 18.154 17.292 2.832 1.00 44.00 C ATOM 726 O VAL A 48 18.682 16.863 3.858 1.00 21.34 O ATOM 727 CB VAL A 48 19.542 16.483 0.922 1.00 42.21 C ATOM 728 CG1 VAL A 48 18.402 15.688 0.304 1.00 11.23 C ATOM 729 CG2 VAL A 48 20.561 16.879 -0.136 1.00 25.22 C ATOM 0 H VAL A 48 20.836 18.141 2.574 1.00 64.15 H new ATOM 0 HA VAL A 48 18.384 18.303 0.952 1.00 40.14 H new ATOM 0 HB VAL A 48 20.040 15.848 1.655 1.00 42.21 H new ATOM 0 HG11 VAL A 48 18.803 14.810 -0.202 1.00 11.23 H new ATOM 0 HG12 VAL A 48 17.712 15.373 1.087 1.00 11.23 H new ATOM 0 HG13 VAL A 48 17.873 16.311 -0.417 1.00 11.23 H new ATOM 0 HG21 VAL A 48 20.932 15.985 -0.636 1.00 25.22 H new ATOM 0 HG22 VAL A 48 20.089 17.535 -0.868 1.00 25.22 H new ATOM 0 HG23 VAL A 48 21.392 17.402 0.337 1.00 25.22 H new ATOM 739 N ILE A 49 16.838 17.401 2.686 1.00 43.34 N ATOM 740 CA ILE A 49 15.917 17.013 3.747 1.00 64.04 C ATOM 741 C ILE A 49 14.935 15.953 3.261 1.00 21.51 C ATOM 742 O ILE A 49 14.121 16.204 2.372 1.00 15.44 O ATOM 743 CB ILE A 49 15.127 18.224 4.277 1.00 24.25 C ATOM 744 CG1 ILE A 49 16.086 19.330 4.724 1.00 71.14 C ATOM 745 CG2 ILE A 49 14.223 17.804 5.427 1.00 62.34 C ATOM 746 CD1 ILE A 49 15.940 20.611 3.933 1.00 14.32 C ATOM 0 H ILE A 49 16.385 17.755 1.843 1.00 43.34 H new ATOM 0 HA ILE A 49 16.521 16.602 4.556 1.00 64.04 H new ATOM 0 HB ILE A 49 14.503 18.613 3.472 1.00 24.25 H new ATOM 0 HG12 ILE A 49 15.916 19.543 5.779 1.00 71.14 H new ATOM 0 HG13 ILE A 49 17.111 18.970 4.632 1.00 71.14 H new ATOM 0 HG21 ILE A 49 13.671 18.671 5.791 1.00 62.34 H new ATOM 0 HG22 ILE A 49 13.521 17.046 5.080 1.00 62.34 H new ATOM 0 HG23 ILE A 49 14.829 17.394 6.235 1.00 62.34 H new ATOM 0 HD11 ILE A 49 16.650 21.350 4.304 1.00 14.32 H new ATOM 0 HD12 ILE A 49 16.139 20.413 2.880 1.00 14.32 H new ATOM 0 HD13 ILE A 49 14.926 20.994 4.045 1.00 14.32 H new ATOM 758 N THR A 50 15.016 14.764 3.852 1.00 53.14 N ATOM 759 CA THR A 50 14.134 13.665 3.480 1.00 31.23 C ATOM 760 C THR A 50 12.938 13.577 4.422 1.00 41.23 C ATOM 761 O THR A 50 13.099 13.439 5.635 1.00 44.54 O ATOM 762 CB THR A 50 14.881 12.318 3.491 1.00 74.45 C ATOM 763 OG1 THR A 50 16.000 12.371 2.600 1.00 45.42 O ATOM 764 CG2 THR A 50 13.954 11.182 3.081 1.00 45.41 C ATOM 0 H THR A 50 15.683 14.538 4.590 1.00 53.14 H new ATOM 0 HA THR A 50 13.783 13.870 2.469 1.00 31.23 H new ATOM 0 HB THR A 50 15.233 12.131 4.506 1.00 74.45 H new ATOM 0 HG1 THR A 50 16.470 11.511 2.614 1.00 45.42 H new ATOM 0 HG21 THR A 50 14.503 10.241 3.096 1.00 45.41 H new ATOM 0 HG22 THR A 50 13.118 11.125 3.778 1.00 45.41 H new ATOM 0 HG23 THR A 50 13.576 11.366 2.075 1.00 45.41 H new ATOM 772 N TYR A 51 11.739 13.657 3.856 1.00 11.11 N ATOM 773 CA TYR A 51 10.515 13.589 4.646 1.00 62.50 C ATOM 774 C TYR A 51 9.491 12.672 3.984 1.00 35.05 C ATOM 775 O TYR A 51 9.706 12.181 2.877 1.00 73.22 O ATOM 776 CB TYR A 51 9.922 14.987 4.829 1.00 64.40 C ATOM 777 CG TYR A 51 9.044 15.427 3.680 1.00 42.23 C ATOM 778 CD1 TYR A 51 9.553 15.532 2.391 1.00 31.31 C ATOM 779 CD2 TYR A 51 7.705 15.738 3.883 1.00 42.14 C ATOM 780 CE1 TYR A 51 8.754 15.935 1.338 1.00 23.44 C ATOM 781 CE2 TYR A 51 6.899 16.140 2.836 1.00 53.45 C ATOM 782 CZ TYR A 51 7.428 16.238 1.566 1.00 70.45 C ATOM 783 OH TYR A 51 6.629 16.638 0.519 1.00 32.13 O ATOM 0 H TYR A 51 11.588 13.769 2.853 1.00 11.11 H new ATOM 0 HA TYR A 51 10.766 13.178 5.624 1.00 62.50 H new ATOM 0 HB2 TYR A 51 9.339 15.007 5.750 1.00 64.40 H new ATOM 0 HB3 TYR A 51 10.734 15.704 4.950 1.00 64.40 H new ATOM 0 HD1 TYR A 51 10.591 15.295 2.209 1.00 31.31 H new ATOM 0 HD2 TYR A 51 7.288 15.664 4.876 1.00 42.14 H new ATOM 0 HE1 TYR A 51 9.165 16.012 0.342 1.00 23.44 H new ATOM 0 HE2 TYR A 51 5.860 16.376 3.011 1.00 53.45 H new ATOM 0 HH TYR A 51 5.883 16.010 0.418 1.00 32.13 H new ATOM 793 N GLN A 52 8.376 12.448 4.673 1.00 73.35 N ATOM 794 CA GLN A 52 7.317 11.590 4.152 1.00 1.55 C ATOM 795 C GLN A 52 5.998 12.350 4.059 1.00 10.21 C ATOM 796 O GLN A 52 5.609 13.082 4.970 1.00 42.14 O ATOM 797 CB GLN A 52 7.147 10.357 5.042 1.00 43.53 C ATOM 798 CG GLN A 52 6.792 9.096 4.271 1.00 2.04 C ATOM 799 CD GLN A 52 6.807 7.856 5.143 1.00 2.04 C ATOM 800 OE1 GLN A 52 5.765 7.407 5.622 1.00 64.22 O ATOM 801 NE2 GLN A 52 7.992 7.295 5.355 1.00 61.02 N ATOM 0 H GLN A 52 8.183 12.848 5.591 1.00 73.35 H new ATOM 0 HA GLN A 52 7.603 11.270 3.150 1.00 1.55 H new ATOM 0 HB2 GLN A 52 8.071 10.187 5.594 1.00 43.53 H new ATOM 0 HB3 GLN A 52 6.368 10.555 5.778 1.00 43.53 H new ATOM 0 HG2 GLN A 52 5.803 9.212 3.828 1.00 2.04 H new ATOM 0 HG3 GLN A 52 7.496 8.966 3.449 1.00 2.04 H new ATOM 0 HE21 GLN A 52 8.830 7.700 4.938 1.00 61.02 H new ATOM 0 HE22 GLN A 52 8.064 6.459 5.934 1.00 61.02 H new ATOM 810 N PRO A 53 5.292 12.174 2.932 1.00 12.54 N ATOM 811 CA PRO A 53 4.005 12.835 2.693 1.00 2.23 C ATOM 812 C PRO A 53 2.898 12.289 3.589 1.00 41.54 C ATOM 813 O PRO A 53 1.891 12.957 3.823 1.00 15.13 O ATOM 814 CB PRO A 53 3.711 12.518 1.225 1.00 31.21 C ATOM 815 CG PRO A 53 4.457 11.257 0.953 1.00 2.40 C ATOM 816 CD PRO A 53 5.695 11.317 1.805 1.00 34.33 C ATOM 0 HA PRO A 53 4.047 13.902 2.912 1.00 2.23 H new ATOM 0 HB2 PRO A 53 2.642 12.390 1.054 1.00 31.21 H new ATOM 0 HB3 PRO A 53 4.044 13.324 0.571 1.00 31.21 H new ATOM 0 HG2 PRO A 53 3.853 10.385 1.203 1.00 2.40 H new ATOM 0 HG3 PRO A 53 4.714 11.175 -0.103 1.00 2.40 H new ATOM 0 HD2 PRO A 53 5.999 10.326 2.142 1.00 34.33 H new ATOM 0 HD3 PRO A 53 6.538 11.741 1.259 1.00 34.33 H new ATOM 824 N TYR A 54 3.092 11.073 4.086 1.00 14.11 N ATOM 825 CA TYR A 54 2.108 10.437 4.954 1.00 1.14 C ATOM 826 C TYR A 54 2.233 10.950 6.386 1.00 74.21 C ATOM 827 O TYR A 54 1.340 10.748 7.210 1.00 20.24 O ATOM 828 CB TYR A 54 2.281 8.917 4.928 1.00 13.52 C ATOM 829 CG TYR A 54 1.630 8.214 6.098 1.00 71.13 C ATOM 830 CD1 TYR A 54 2.311 8.041 7.296 1.00 4.02 C ATOM 831 CD2 TYR A 54 0.334 7.721 6.004 1.00 2.20 C ATOM 832 CE1 TYR A 54 1.721 7.398 8.367 1.00 1.22 C ATOM 833 CE2 TYR A 54 -0.264 7.079 7.070 1.00 34.42 C ATOM 834 CZ TYR A 54 0.433 6.919 8.250 1.00 40.35 C ATOM 835 OH TYR A 54 -0.159 6.278 9.313 1.00 13.45 O ATOM 0 H TYR A 54 3.921 10.508 3.903 1.00 14.11 H new ATOM 0 HA TYR A 54 1.115 10.689 4.582 1.00 1.14 H new ATOM 0 HB2 TYR A 54 1.860 8.528 4.001 1.00 13.52 H new ATOM 0 HB3 TYR A 54 3.345 8.681 4.919 1.00 13.52 H new ATOM 0 HD1 TYR A 54 3.319 8.416 7.392 1.00 4.02 H new ATOM 0 HD2 TYR A 54 -0.215 7.842 5.082 1.00 2.20 H new ATOM 0 HE1 TYR A 54 2.266 7.271 9.291 1.00 1.22 H new ATOM 0 HE2 TYR A 54 -1.273 6.704 6.981 1.00 34.42 H new ATOM 0 HH TYR A 54 -1.067 6.004 9.065 1.00 13.45 H new ATOM 845 N LEU A 55 3.346 11.615 6.674 1.00 31.21 N ATOM 846 CA LEU A 55 3.589 12.159 8.006 1.00 62.52 C ATOM 847 C LEU A 55 3.506 13.682 7.996 1.00 64.54 C ATOM 848 O LEU A 55 2.569 14.266 8.541 1.00 63.53 O ATOM 849 CB LEU A 55 4.961 11.714 8.517 1.00 51.33 C ATOM 850 CG LEU A 55 5.296 10.233 8.338 1.00 2.14 C ATOM 851 CD1 LEU A 55 6.802 10.019 8.368 1.00 14.31 C ATOM 852 CD2 LEU A 55 4.616 9.399 9.414 1.00 12.10 C ATOM 0 H LEU A 55 4.094 11.791 6.004 1.00 31.21 H new ATOM 0 HA LEU A 55 2.818 11.777 8.674 1.00 62.52 H new ATOM 0 HB2 LEU A 55 5.724 12.303 8.008 1.00 51.33 H new ATOM 0 HB3 LEU A 55 5.027 11.955 9.578 1.00 51.33 H new ATOM 0 HG LEU A 55 4.923 9.911 7.366 1.00 2.14 H new ATOM 0 HD11 LEU A 55 7.022 8.959 8.239 1.00 14.31 H new ATOM 0 HD12 LEU A 55 7.266 10.586 7.561 1.00 14.31 H new ATOM 0 HD13 LEU A 55 7.199 10.358 9.325 1.00 14.31 H new ATOM 0 HD21 LEU A 55 4.865 8.348 9.271 1.00 12.10 H new ATOM 0 HD22 LEU A 55 4.959 9.723 10.397 1.00 12.10 H new ATOM 0 HD23 LEU A 55 3.536 9.528 9.346 1.00 12.10 H new ATOM 864 N ILE A 56 4.491 14.318 7.371 1.00 42.22 N ATOM 865 CA ILE A 56 4.527 15.773 7.287 1.00 64.11 C ATOM 866 C ILE A 56 4.577 16.239 5.836 1.00 73.23 C ATOM 867 O ILE A 56 5.041 15.513 4.957 1.00 54.13 O ATOM 868 CB ILE A 56 5.740 16.350 8.041 1.00 12.30 C ATOM 869 CG1 ILE A 56 5.706 17.880 8.011 1.00 72.32 C ATOM 870 CG2 ILE A 56 7.036 15.832 7.436 1.00 71.10 C ATOM 871 CD1 ILE A 56 6.799 18.525 8.833 1.00 63.20 C ATOM 0 H ILE A 56 5.274 13.849 6.916 1.00 42.22 H new ATOM 0 HA ILE A 56 3.612 16.139 7.752 1.00 64.11 H new ATOM 0 HB ILE A 56 5.692 16.024 9.080 1.00 12.30 H new ATOM 0 HG12 ILE A 56 5.793 18.217 6.978 1.00 72.32 H new ATOM 0 HG13 ILE A 56 4.738 18.221 8.377 1.00 72.32 H new ATOM 0 HG21 ILE A 56 7.884 16.249 7.980 1.00 71.10 H new ATOM 0 HG22 ILE A 56 7.060 14.744 7.505 1.00 71.10 H new ATOM 0 HG23 ILE A 56 7.094 16.131 6.389 1.00 71.10 H new ATOM 0 HD11 ILE A 56 6.713 19.610 8.765 1.00 63.20 H new ATOM 0 HD12 ILE A 56 6.701 18.218 9.874 1.00 63.20 H new ATOM 0 HD13 ILE A 56 7.772 18.214 8.453 1.00 63.20 H new ATOM 883 N GLN A 57 4.097 17.454 5.594 1.00 52.35 N ATOM 884 CA GLN A 57 4.087 18.017 4.249 1.00 44.44 C ATOM 885 C GLN A 57 5.414 18.702 3.936 1.00 52.12 C ATOM 886 O GLN A 57 6.238 18.946 4.818 1.00 73.34 O ATOM 887 CB GLN A 57 2.937 19.015 4.098 1.00 22.44 C ATOM 888 CG GLN A 57 1.742 18.455 3.345 1.00 55.24 C ATOM 889 CD GLN A 57 0.674 19.500 3.086 1.00 70.03 C ATOM 890 OE1 GLN A 57 0.376 20.326 3.948 1.00 14.45 O ATOM 891 NE2 GLN A 57 0.092 19.469 1.893 1.00 72.23 N ATOM 0 H GLN A 57 3.710 18.067 6.311 1.00 52.35 H new ATOM 0 HA GLN A 57 3.944 17.200 3.542 1.00 44.44 H new ATOM 0 HB2 GLN A 57 2.614 19.337 5.088 1.00 22.44 H new ATOM 0 HB3 GLN A 57 3.301 19.901 3.578 1.00 22.44 H new ATOM 0 HG2 GLN A 57 2.078 18.041 2.394 1.00 55.24 H new ATOM 0 HG3 GLN A 57 1.310 17.633 3.916 1.00 55.24 H new ATOM 0 HE21 GLN A 57 0.370 18.766 1.208 1.00 72.23 H new ATOM 0 HE22 GLN A 57 -0.633 20.148 1.662 1.00 72.23 H new ATOM 900 N PRO A 58 5.627 19.020 2.650 1.00 3.54 N ATOM 901 CA PRO A 58 6.853 19.682 2.192 1.00 74.33 C ATOM 902 C PRO A 58 6.944 21.128 2.667 1.00 74.22 C ATOM 903 O PRO A 58 7.991 21.571 3.136 1.00 42.33 O ATOM 904 CB PRO A 58 6.736 19.626 0.666 1.00 12.34 C ATOM 905 CG PRO A 58 5.272 19.541 0.401 1.00 2.34 C ATOM 906 CD PRO A 58 4.689 18.760 1.546 1.00 32.10 C ATOM 0 HA PRO A 58 7.748 19.199 2.583 1.00 74.33 H new ATOM 0 HB2 PRO A 58 7.171 20.511 0.203 1.00 12.34 H new ATOM 0 HB3 PRO A 58 7.263 18.762 0.260 1.00 12.34 H new ATOM 0 HG2 PRO A 58 4.828 20.535 0.340 1.00 2.34 H new ATOM 0 HG3 PRO A 58 5.076 19.045 -0.550 1.00 2.34 H new ATOM 0 HD2 PRO A 58 3.681 19.095 1.788 1.00 32.10 H new ATOM 0 HD3 PRO A 58 4.625 17.697 1.315 1.00 32.10 H new ATOM 914 N GLU A 59 5.839 21.857 2.542 1.00 3.45 N ATOM 915 CA GLU A 59 5.796 23.254 2.960 1.00 43.05 C ATOM 916 C GLU A 59 6.075 23.384 4.454 1.00 14.33 C ATOM 917 O GLU A 59 6.715 24.339 4.897 1.00 74.55 O ATOM 918 CB GLU A 59 4.434 23.867 2.628 1.00 60.21 C ATOM 919 CG GLU A 59 4.296 24.294 1.176 1.00 10.45 C ATOM 920 CD GLU A 59 3.104 25.203 0.947 1.00 43.51 C ATOM 921 OE1 GLU A 59 2.097 25.054 1.670 1.00 72.23 O ATOM 922 OE2 GLU A 59 3.179 26.064 0.045 1.00 33.11 O ATOM 0 H GLU A 59 4.963 21.504 2.156 1.00 3.45 H new ATOM 0 HA GLU A 59 6.571 23.793 2.416 1.00 43.05 H new ATOM 0 HB2 GLU A 59 3.653 23.143 2.861 1.00 60.21 H new ATOM 0 HB3 GLU A 59 4.268 24.732 3.270 1.00 60.21 H new ATOM 0 HG2 GLU A 59 5.205 24.808 0.864 1.00 10.45 H new ATOM 0 HG3 GLU A 59 4.199 23.408 0.548 1.00 10.45 H new ATOM 929 N ASP A 60 5.589 22.419 5.227 1.00 73.14 N ATOM 930 CA ASP A 60 5.785 22.424 6.672 1.00 52.33 C ATOM 931 C ASP A 60 7.251 22.190 7.022 1.00 31.30 C ATOM 932 O ASP A 60 7.799 22.841 7.912 1.00 25.12 O ATOM 933 CB ASP A 60 4.913 21.354 7.330 1.00 13.11 C ATOM 934 CG ASP A 60 3.946 21.937 8.342 1.00 1.12 C ATOM 935 OD1 ASP A 60 4.338 22.878 9.064 1.00 41.33 O ATOM 936 OD2 ASP A 60 2.797 21.453 8.412 1.00 24.32 O ATOM 0 H ASP A 60 5.056 21.623 4.877 1.00 73.14 H new ATOM 0 HA ASP A 60 5.492 23.403 7.051 1.00 52.33 H new ATOM 0 HB2 ASP A 60 4.353 20.822 6.561 1.00 13.11 H new ATOM 0 HB3 ASP A 60 5.552 20.621 7.823 1.00 13.11 H new ATOM 941 N LEU A 61 7.880 21.255 6.318 1.00 51.54 N ATOM 942 CA LEU A 61 9.283 20.934 6.554 1.00 31.45 C ATOM 943 C LEU A 61 10.183 22.099 6.158 1.00 64.03 C ATOM 944 O LEU A 61 11.281 22.259 6.693 1.00 73.53 O ATOM 945 CB LEU A 61 9.678 19.680 5.772 1.00 31.35 C ATOM 946 CG LEU A 61 10.362 19.916 4.426 1.00 43.43 C ATOM 947 CD1 LEU A 61 11.861 20.093 4.612 1.00 22.14 C ATOM 948 CD2 LEU A 61 10.074 18.767 3.471 1.00 35.24 C ATOM 0 H LEU A 61 7.440 20.706 5.579 1.00 51.54 H new ATOM 0 HA LEU A 61 9.413 20.746 7.620 1.00 31.45 H new ATOM 0 HB2 LEU A 61 10.343 19.082 6.395 1.00 31.35 H new ATOM 0 HB3 LEU A 61 8.781 19.085 5.602 1.00 31.35 H new ATOM 0 HG LEU A 61 9.959 20.832 3.993 1.00 43.43 H new ATOM 0 HD11 LEU A 61 12.331 20.260 3.643 1.00 22.14 H new ATOM 0 HD12 LEU A 61 12.049 20.950 5.259 1.00 22.14 H new ATOM 0 HD13 LEU A 61 12.279 19.196 5.068 1.00 22.14 H new ATOM 0 HD21 LEU A 61 10.569 18.953 2.518 1.00 35.24 H new ATOM 0 HD22 LEU A 61 10.447 17.836 3.898 1.00 35.24 H new ATOM 0 HD23 LEU A 61 8.999 18.687 3.311 1.00 35.24 H new ATOM 960 N ARG A 62 9.711 22.912 5.218 1.00 22.32 N ATOM 961 CA ARG A 62 10.473 24.063 4.751 1.00 43.34 C ATOM 962 C ARG A 62 10.767 25.023 5.899 1.00 3.55 C ATOM 963 O ARG A 62 11.877 25.542 6.020 1.00 65.03 O ATOM 964 CB ARG A 62 9.708 24.793 3.645 1.00 45.11 C ATOM 965 CG ARG A 62 10.338 26.116 3.240 1.00 61.33 C ATOM 966 CD ARG A 62 10.490 26.221 1.730 1.00 10.12 C ATOM 967 NE ARG A 62 9.953 27.477 1.212 1.00 30.35 N ATOM 968 CZ ARG A 62 8.654 27.739 1.124 1.00 11.42 C ATOM 969 NH1 ARG A 62 7.764 26.839 1.518 1.00 72.04 N ATOM 970 NH2 ARG A 62 8.243 28.905 0.642 1.00 52.30 N ATOM 0 H ARG A 62 8.805 22.794 4.765 1.00 22.32 H new ATOM 0 HA ARG A 62 11.420 23.702 4.351 1.00 43.34 H new ATOM 0 HB2 ARG A 62 9.647 24.146 2.770 1.00 45.11 H new ATOM 0 HB3 ARG A 62 8.687 24.974 3.980 1.00 45.11 H new ATOM 0 HG2 ARG A 62 9.723 26.939 3.603 1.00 61.33 H new ATOM 0 HG3 ARG A 62 11.315 26.215 3.713 1.00 61.33 H new ATOM 0 HD2 ARG A 62 11.544 26.141 1.465 1.00 10.12 H new ATOM 0 HD3 ARG A 62 9.978 25.384 1.255 1.00 10.12 H new ATOM 0 HE ARG A 62 10.611 28.191 0.901 1.00 30.35 H new ATOM 0 HH11 ARG A 62 8.076 25.942 1.890 1.00 72.04 H new ATOM 0 HH12 ARG A 62 6.767 27.043 1.449 1.00 72.04 H new ATOM 0 HH21 ARG A 62 8.925 29.600 0.339 1.00 52.30 H new ATOM 0 HH22 ARG A 62 7.245 29.106 0.575 1.00 52.30 H new ATOM 984 N ASP A 63 9.766 25.256 6.740 1.00 34.24 N ATOM 985 CA ASP A 63 9.916 26.153 7.880 1.00 4.10 C ATOM 986 C ASP A 63 10.909 25.586 8.890 1.00 12.34 C ATOM 987 O ASP A 63 11.691 26.325 9.490 1.00 71.03 O ATOM 988 CB ASP A 63 8.563 26.389 8.553 1.00 43.31 C ATOM 989 CG ASP A 63 8.670 27.290 9.768 1.00 42.13 C ATOM 990 OD1 ASP A 63 9.599 28.123 9.808 1.00 42.31 O ATOM 991 OD2 ASP A 63 7.825 27.161 10.679 1.00 44.14 O ATOM 0 H ASP A 63 8.841 24.836 6.654 1.00 34.24 H new ATOM 0 HA ASP A 63 10.301 27.105 7.514 1.00 4.10 H new ATOM 0 HB2 ASP A 63 7.875 26.834 7.834 1.00 43.31 H new ATOM 0 HB3 ASP A 63 8.137 25.431 8.851 1.00 43.31 H new ATOM 996 N HIS A 64 10.871 24.270 9.075 1.00 11.54 N ATOM 997 CA HIS A 64 11.767 23.604 10.014 1.00 51.30 C ATOM 998 C HIS A 64 13.222 23.951 9.715 1.00 3.33 C ATOM 999 O HIS A 64 14.025 24.143 10.628 1.00 4.24 O ATOM 1000 CB HIS A 64 11.569 22.089 9.953 1.00 12.41 C ATOM 1001 CG HIS A 64 12.689 21.313 10.575 1.00 14.51 C ATOM 1002 ND1 HIS A 64 13.119 21.520 11.869 1.00 64.53 N ATOM 1003 CD2 HIS A 64 13.466 20.325 10.074 1.00 3.41 C ATOM 1004 CE1 HIS A 64 14.115 20.693 12.136 1.00 52.11 C ATOM 1005 NE2 HIS A 64 14.345 19.957 11.063 1.00 14.24 N ATOM 0 H HIS A 64 10.230 23.644 8.587 1.00 11.54 H new ATOM 0 HA HIS A 64 11.527 23.954 11.018 1.00 51.30 H new ATOM 0 HB2 HIS A 64 10.637 21.832 10.456 1.00 12.41 H new ATOM 0 HB3 HIS A 64 11.463 21.786 8.911 1.00 12.41 H new ATOM 0 HD2 HIS A 64 13.406 19.904 9.081 1.00 3.41 H new ATOM 0 HE1 HIS A 64 14.650 20.630 13.072 1.00 52.11 H new ATOM 0 HE2 HIS A 64 15.059 19.233 10.982 1.00 14.24 H new ATOM 1013 N VAL A 65 13.555 24.030 8.431 1.00 64.52 N ATOM 1014 CA VAL A 65 14.914 24.354 8.012 1.00 72.42 C ATOM 1015 C VAL A 65 15.360 25.695 8.582 1.00 13.15 C ATOM 1016 O VAL A 65 16.476 25.829 9.081 1.00 23.41 O ATOM 1017 CB VAL A 65 15.032 24.396 6.477 1.00 44.33 C ATOM 1018 CG1 VAL A 65 16.480 24.608 6.058 1.00 35.44 C ATOM 1019 CG2 VAL A 65 14.472 23.122 5.864 1.00 64.42 C ATOM 0 H VAL A 65 12.903 23.874 7.663 1.00 64.52 H new ATOM 0 HA VAL A 65 15.561 23.566 8.398 1.00 72.42 H new ATOM 0 HB VAL A 65 14.445 25.237 6.108 1.00 44.33 H new ATOM 0 HG11 VAL A 65 16.544 24.635 4.970 1.00 35.44 H new ATOM 0 HG12 VAL A 65 16.842 25.551 6.466 1.00 35.44 H new ATOM 0 HG13 VAL A 65 17.092 23.790 6.437 1.00 35.44 H new ATOM 0 HG21 VAL A 65 14.564 23.169 4.779 1.00 64.42 H new ATOM 0 HG22 VAL A 65 15.029 22.263 6.238 1.00 64.42 H new ATOM 0 HG23 VAL A 65 13.421 23.019 6.135 1.00 64.42 H new ATOM 1029 N ASN A 66 14.478 26.687 8.506 1.00 62.10 N ATOM 1030 CA ASN A 66 14.781 28.020 9.015 1.00 20.42 C ATOM 1031 C ASN A 66 14.980 27.992 10.528 1.00 64.34 C ATOM 1032 O ASN A 66 15.575 28.903 11.103 1.00 44.35 O ATOM 1033 CB ASN A 66 13.657 28.993 8.656 1.00 51.24 C ATOM 1034 CG ASN A 66 14.146 30.155 7.812 1.00 31.22 C ATOM 1035 OD1 ASN A 66 14.834 29.962 6.809 1.00 13.15 O ATOM 1036 ND2 ASN A 66 13.792 31.369 8.216 1.00 3.34 N ATOM 0 H ASN A 66 13.548 26.593 8.097 1.00 62.10 H new ATOM 0 HA ASN A 66 15.707 28.358 8.550 1.00 20.42 H new ATOM 0 HB2 ASN A 66 12.876 28.458 8.116 1.00 51.24 H new ATOM 0 HB3 ASN A 66 13.206 29.377 9.571 1.00 51.24 H new ATOM 0 HD21 ASN A 66 14.091 32.189 7.689 1.00 3.34 H new ATOM 0 HD22 ASN A 66 13.221 31.481 9.054 1.00 3.34 H new ATOM 1043 N ASP A 67 14.479 26.940 11.165 1.00 24.43 N ATOM 1044 CA ASP A 67 14.604 26.791 12.611 1.00 55.22 C ATOM 1045 C ASP A 67 16.060 26.576 13.012 1.00 54.41 C ATOM 1046 O ASP A 67 16.447 26.849 14.148 1.00 61.43 O ATOM 1047 CB ASP A 67 13.749 25.621 13.100 1.00 12.11 C ATOM 1048 CG ASP A 67 13.369 25.753 14.562 1.00 54.32 C ATOM 1049 OD1 ASP A 67 14.243 25.528 15.424 1.00 33.44 O ATOM 1050 OD2 ASP A 67 12.197 26.082 14.843 1.00 32.41 O ATOM 0 H ASP A 67 13.983 26.178 10.704 1.00 24.43 H new ATOM 0 HA ASP A 67 14.250 27.710 13.078 1.00 55.22 H new ATOM 0 HB2 ASP A 67 12.843 25.559 12.496 1.00 12.11 H new ATOM 0 HB3 ASP A 67 14.295 24.689 12.952 1.00 12.11 H new ATOM 1055 N MET A 68 16.861 26.086 12.072 1.00 73.40 N ATOM 1056 CA MET A 68 18.274 25.834 12.328 1.00 2.30 C ATOM 1057 C MET A 68 19.054 27.143 12.402 1.00 3.01 C ATOM 1058 O MET A 68 20.201 27.169 12.846 1.00 24.21 O ATOM 1059 CB MET A 68 18.861 24.938 11.236 1.00 40.45 C ATOM 1060 CG MET A 68 18.408 23.491 11.328 1.00 34.53 C ATOM 1061 SD MET A 68 18.936 22.694 12.857 1.00 20.20 S ATOM 1062 CE MET A 68 20.697 23.016 12.815 1.00 25.13 C ATOM 0 H MET A 68 16.556 25.856 11.126 1.00 73.40 H new ATOM 0 HA MET A 68 18.359 25.326 13.288 1.00 2.30 H new ATOM 0 HB2 MET A 68 18.581 25.336 10.261 1.00 40.45 H new ATOM 0 HB3 MET A 68 19.949 24.974 11.294 1.00 40.45 H new ATOM 0 HG2 MET A 68 17.321 23.449 11.258 1.00 34.53 H new ATOM 0 HG3 MET A 68 18.804 22.936 10.478 1.00 34.53 H new ATOM 0 HE1 MET A 68 21.239 22.107 13.076 1.00 25.13 H new ATOM 0 HE2 MET A 68 20.985 23.335 11.813 1.00 25.13 H new ATOM 0 HE3 MET A 68 20.940 23.802 13.530 1.00 25.13 H new ATOM 1072 N GLY A 69 18.424 28.229 11.964 1.00 71.44 N ATOM 1073 CA GLY A 69 19.075 29.525 11.989 1.00 52.43 C ATOM 1074 C GLY A 69 19.697 29.887 10.655 1.00 44.50 C ATOM 1075 O GLY A 69 20.012 31.051 10.404 1.00 55.13 O ATOM 0 H GLY A 69 17.474 28.234 11.592 1.00 71.44 H new ATOM 0 HA2 GLY A 69 18.348 30.288 12.266 1.00 52.43 H new ATOM 0 HA3 GLY A 69 19.847 29.526 12.758 1.00 52.43 H new ATOM 1079 N PHE A 70 19.878 28.888 9.798 1.00 42.55 N ATOM 1080 CA PHE A 70 20.470 29.107 8.483 1.00 43.01 C ATOM 1081 C PHE A 70 19.391 29.381 7.439 1.00 24.22 C ATOM 1082 O PHE A 70 18.233 29.005 7.616 1.00 23.21 O ATOM 1083 CB PHE A 70 21.302 27.892 8.066 1.00 2.34 C ATOM 1084 CG PHE A 70 22.296 27.461 9.107 1.00 34.31 C ATOM 1085 CD1 PHE A 70 23.550 28.046 9.171 1.00 12.15 C ATOM 1086 CD2 PHE A 70 21.975 26.470 10.021 1.00 0.13 C ATOM 1087 CE1 PHE A 70 24.466 27.650 10.128 1.00 51.24 C ATOM 1088 CE2 PHE A 70 22.887 26.070 10.980 1.00 50.30 C ATOM 1089 CZ PHE A 70 24.134 26.662 11.034 1.00 53.03 C ATOM 0 H PHE A 70 19.623 27.919 9.990 1.00 42.55 H new ATOM 0 HA PHE A 70 21.120 29.980 8.546 1.00 43.01 H new ATOM 0 HB2 PHE A 70 20.632 27.060 7.848 1.00 2.34 H new ATOM 0 HB3 PHE A 70 21.832 28.124 7.143 1.00 2.34 H new ATOM 0 HD1 PHE A 70 23.815 28.820 8.466 1.00 12.15 H new ATOM 0 HD2 PHE A 70 21.001 26.005 9.984 1.00 0.13 H new ATOM 0 HE1 PHE A 70 25.441 28.113 10.167 1.00 51.24 H new ATOM 0 HE2 PHE A 70 22.625 25.296 11.686 1.00 50.30 H new ATOM 0 HZ PHE A 70 24.848 26.353 11.783 1.00 53.03 H new ATOM 1099 N GLU A 71 19.782 30.039 6.352 1.00 74.31 N ATOM 1100 CA GLU A 71 18.848 30.364 5.281 1.00 55.25 C ATOM 1101 C GLU A 71 18.937 29.341 4.151 1.00 11.55 C ATOM 1102 O GLU A 71 20.012 29.096 3.606 1.00 42.23 O ATOM 1103 CB GLU A 71 19.129 31.766 4.737 1.00 41.43 C ATOM 1104 CG GLU A 71 19.366 32.804 5.821 1.00 33.35 C ATOM 1105 CD GLU A 71 18.222 32.881 6.814 1.00 11.20 C ATOM 1106 OE1 GLU A 71 17.117 32.402 6.485 1.00 32.23 O ATOM 1107 OE2 GLU A 71 18.433 33.422 7.920 1.00 32.52 O ATOM 0 H GLU A 71 20.738 30.357 6.190 1.00 74.31 H new ATOM 0 HA GLU A 71 17.839 30.337 5.693 1.00 55.25 H new ATOM 0 HB2 GLU A 71 20.003 31.726 4.087 1.00 41.43 H new ATOM 0 HB3 GLU A 71 18.288 32.083 4.120 1.00 41.43 H new ATOM 0 HG2 GLU A 71 20.288 32.566 6.352 1.00 33.35 H new ATOM 0 HG3 GLU A 71 19.508 33.781 5.359 1.00 33.35 H new ATOM 1114 N ALA A 72 17.799 28.748 3.807 1.00 32.34 N ATOM 1115 CA ALA A 72 17.747 27.753 2.743 1.00 25.13 C ATOM 1116 C ALA A 72 16.798 28.187 1.632 1.00 70.33 C ATOM 1117 O ALA A 72 15.731 28.740 1.895 1.00 51.31 O ATOM 1118 CB ALA A 72 17.326 26.402 3.303 1.00 11.41 C ATOM 0 H ALA A 72 16.900 28.939 4.250 1.00 32.34 H new ATOM 0 HA ALA A 72 18.746 27.661 2.316 1.00 25.13 H new ATOM 0 HB1 ALA A 72 17.291 25.669 2.497 1.00 11.41 H new ATOM 0 HB2 ALA A 72 18.045 26.080 4.056 1.00 11.41 H new ATOM 0 HB3 ALA A 72 16.339 26.488 3.758 1.00 11.41 H new ATOM 1124 N ALA A 73 17.194 27.932 0.389 1.00 52.02 N ATOM 1125 CA ALA A 73 16.377 28.295 -0.763 1.00 10.25 C ATOM 1126 C ALA A 73 16.327 27.160 -1.780 1.00 12.41 C ATOM 1127 O ALA A 73 17.297 26.420 -1.946 1.00 34.23 O ATOM 1128 CB ALA A 73 16.912 29.564 -1.410 1.00 70.10 C ATOM 0 H ALA A 73 18.075 27.476 0.154 1.00 52.02 H new ATOM 0 HA ALA A 73 15.361 28.479 -0.414 1.00 10.25 H new ATOM 0 HB1 ALA A 73 16.293 29.824 -2.269 1.00 70.10 H new ATOM 0 HB2 ALA A 73 16.889 30.379 -0.686 1.00 70.10 H new ATOM 0 HB3 ALA A 73 17.938 29.400 -1.739 1.00 70.10 H new ATOM 1134 N ILE A 74 15.192 27.029 -2.458 1.00 15.44 N ATOM 1135 CA ILE A 74 15.016 25.985 -3.459 1.00 23.42 C ATOM 1136 C ILE A 74 16.194 25.948 -4.427 1.00 22.54 C ATOM 1137 O ILE A 74 16.741 26.987 -4.797 1.00 71.41 O ATOM 1138 CB ILE A 74 13.715 26.184 -4.259 1.00 23.13 C ATOM 1139 CG1 ILE A 74 12.504 26.128 -3.326 1.00 12.32 C ATOM 1140 CG2 ILE A 74 13.598 25.131 -5.351 1.00 5.13 C ATOM 1141 CD1 ILE A 74 11.737 27.430 -3.253 1.00 51.21 C ATOM 0 H ILE A 74 14.380 27.633 -2.332 1.00 15.44 H new ATOM 0 HA ILE A 74 14.960 25.039 -2.921 1.00 23.42 H new ATOM 0 HB ILE A 74 13.742 27.166 -4.730 1.00 23.13 H new ATOM 0 HG12 ILE A 74 11.832 25.338 -3.663 1.00 12.32 H new ATOM 0 HG13 ILE A 74 12.839 25.856 -2.325 1.00 12.32 H new ATOM 0 HG21 ILE A 74 12.673 25.285 -5.907 1.00 5.13 H new ATOM 0 HG22 ILE A 74 14.448 25.214 -6.029 1.00 5.13 H new ATOM 0 HG23 ILE A 74 13.589 24.139 -4.900 1.00 5.13 H new ATOM 0 HD11 ILE A 74 10.892 27.317 -2.574 1.00 51.21 H new ATOM 0 HD12 ILE A 74 12.394 28.219 -2.887 1.00 51.21 H new ATOM 0 HD13 ILE A 74 11.372 27.693 -4.246 1.00 51.21 H new ATOM 1153 N LYS A 75 16.580 24.743 -4.835 1.00 12.34 N ATOM 1154 CA LYS A 75 17.691 24.569 -5.762 1.00 60.34 C ATOM 1155 C LYS A 75 17.204 24.604 -7.207 1.00 51.04 C ATOM 1156 O LYS A 75 16.174 25.206 -7.511 1.00 33.44 O ATOM 1157 CB LYS A 75 18.409 23.246 -5.487 1.00 60.42 C ATOM 1158 CG LYS A 75 17.580 22.021 -5.833 1.00 23.53 C ATOM 1159 CD LYS A 75 18.352 21.058 -6.720 1.00 33.54 C ATOM 1160 CE LYS A 75 17.417 20.229 -7.587 1.00 61.43 C ATOM 1161 NZ LYS A 75 18.153 19.189 -8.359 1.00 31.11 N ATOM 0 H LYS A 75 16.139 23.873 -4.538 1.00 12.34 H new ATOM 0 HA LYS A 75 18.389 25.392 -5.612 1.00 60.34 H new ATOM 0 HB2 LYS A 75 19.337 23.220 -6.059 1.00 60.42 H new ATOM 0 HB3 LYS A 75 18.683 23.203 -4.433 1.00 60.42 H new ATOM 0 HG2 LYS A 75 17.280 21.513 -4.917 1.00 23.53 H new ATOM 0 HG3 LYS A 75 16.666 22.330 -6.339 1.00 23.53 H new ATOM 0 HD2 LYS A 75 19.039 21.617 -7.355 1.00 33.54 H new ATOM 0 HD3 LYS A 75 18.958 20.397 -6.100 1.00 33.54 H new ATOM 0 HE2 LYS A 75 16.666 19.751 -6.958 1.00 61.43 H new ATOM 0 HE3 LYS A 75 16.884 20.884 -8.276 1.00 61.43 H new ATOM 0 HZ1 LYS A 75 17.472 18.570 -8.844 1.00 31.11 H new ATOM 0 HZ2 LYS A 75 18.766 19.648 -9.062 1.00 31.11 H new ATOM 0 HZ3 LYS A 75 18.735 18.622 -7.710 1.00 31.11 H new ATOM 1175 N SER A 76 17.950 23.954 -8.095 1.00 5.52 N ATOM 1176 CA SER A 76 17.595 23.914 -9.509 1.00 25.34 C ATOM 1177 C SER A 76 17.658 22.486 -10.044 1.00 2.34 C ATOM 1178 O SER A 76 16.635 21.896 -10.387 1.00 2.31 O ATOM 1179 CB SER A 76 18.531 24.815 -10.317 1.00 54.01 C ATOM 1180 OG SER A 76 18.239 24.741 -11.702 1.00 21.11 O ATOM 0 H SER A 76 18.804 23.448 -7.860 1.00 5.52 H new ATOM 0 HA SER A 76 16.573 24.278 -9.613 1.00 25.34 H new ATOM 0 HB2 SER A 76 18.433 25.846 -9.976 1.00 54.01 H new ATOM 0 HB3 SER A 76 19.566 24.519 -10.144 1.00 54.01 H new ATOM 0 HG SER A 76 18.849 25.327 -12.197 1.00 21.11 H new TER 1186 SER A 76