USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 25 LYS NZ :NH3+ -149:sc= 0.827 (180deg=-0.00163) USER MOD Set 1.2: A 30 ASN : amide:sc= 0.735 K(o=1.6,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00585) USER MOD Single : A 9 SER OG : rot 180:sc=-0.00036 USER MOD Single : A 10 TYR OH : rot 48:sc= 0.667 USER MOD Single : A 20 ASN : amide:sc= -2.42! C(o=-2.4!,f=-7.6!) USER MOD Single : A 22 MET CE :methyl -106:sc= -3.14! (180deg=-7.97!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= -0.0639 (180deg=-0.0729) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 165:sc= -0.586 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= -0.147 (180deg=-0.165) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=-0.43) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= -0.0982 (180deg=-0.0982) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.751 3.165 0.138 1.00 5.44 N ATOM 21 CA ARG A 2 -11.542 2.393 -0.208 1.00 55.13 C ATOM 22 C ARG A 2 -10.900 2.986 -1.473 1.00 53.02 C ATOM 23 O ARG A 2 -11.600 3.326 -2.437 1.00 31.33 O ATOM 24 CB ARG A 2 -11.868 0.875 -0.389 1.00 13.23 C ATOM 25 CG ARG A 2 -12.948 0.556 -1.448 1.00 53.31 C ATOM 26 CD ARG A 2 -13.220 -0.955 -1.609 1.00 10.54 C ATOM 27 NE ARG A 2 -14.253 -1.207 -2.640 1.00 65.23 N ATOM 28 CZ ARG A 2 -14.431 -2.363 -3.304 1.00 61.13 C ATOM 29 NH1 ARG A 2 -13.657 -3.413 -3.071 1.00 43.30 N ATOM 30 NH2 ARG A 2 -15.387 -2.452 -4.221 1.00 5.24 N ATOM 0 HA ARG A 2 -10.830 2.466 0.614 1.00 55.13 H new ATOM 0 HB2 ARG A 2 -10.951 0.352 -0.660 1.00 13.23 H new ATOM 0 HB3 ARG A 2 -12.193 0.472 0.571 1.00 13.23 H new ATOM 0 HG2 ARG A 2 -13.876 1.058 -1.173 1.00 53.31 H new ATOM 0 HG3 ARG A 2 -12.637 0.966 -2.409 1.00 53.31 H new ATOM 0 HD2 ARG A 2 -12.297 -1.466 -1.883 1.00 10.54 H new ATOM 0 HD3 ARG A 2 -13.545 -1.372 -0.656 1.00 10.54 H new ATOM 0 HE ARG A 2 -14.884 -0.438 -2.866 1.00 65.23 H new ATOM 0 HH11 ARG A 2 -12.911 -3.353 -2.378 1.00 43.30 H new ATOM 0 HH12 ARG A 2 -13.807 -4.281 -3.585 1.00 43.30 H new ATOM 0 HH21 ARG A 2 -15.981 -1.647 -4.418 1.00 5.24 H new ATOM 0 HH22 ARG A 2 -15.527 -3.326 -4.728 1.00 5.24 H new ATOM 44 N ILE A 3 -9.568 3.138 -1.436 1.00 73.33 N ATOM 45 CA ILE A 3 -8.760 3.682 -2.542 1.00 40.33 C ATOM 46 C ILE A 3 -7.893 2.541 -3.100 1.00 45.42 C ATOM 47 O ILE A 3 -7.139 1.926 -2.347 1.00 10.31 O ATOM 48 CB ILE A 3 -7.852 4.872 -2.026 1.00 44.55 C ATOM 49 CG1 ILE A 3 -8.744 6.026 -1.449 1.00 54.23 C ATOM 50 CG2 ILE A 3 -6.897 5.395 -3.131 1.00 33.02 C ATOM 51 CD1 ILE A 3 -7.983 7.225 -0.903 1.00 21.50 C ATOM 0 H ILE A 3 -9.010 2.882 -0.622 1.00 73.33 H new ATOM 0 HA ILE A 3 -9.407 4.077 -3.326 1.00 40.33 H new ATOM 0 HB ILE A 3 -7.222 4.488 -1.224 1.00 44.55 H new ATOM 0 HG12 ILE A 3 -9.417 6.370 -2.235 1.00 54.23 H new ATOM 0 HG13 ILE A 3 -9.366 5.618 -0.653 1.00 54.23 H new ATOM 0 HG21 ILE A 3 -6.293 6.211 -2.734 1.00 33.02 H new ATOM 0 HG22 ILE A 3 -6.244 4.587 -3.460 1.00 33.02 H new ATOM 0 HG23 ILE A 3 -7.482 5.756 -3.977 1.00 33.02 H new ATOM 0 HD11 ILE A 3 -8.690 7.965 -0.529 1.00 21.50 H new ATOM 0 HD12 ILE A 3 -7.331 6.903 -0.091 1.00 21.50 H new ATOM 0 HD13 ILE A 3 -7.382 7.667 -1.698 1.00 21.50 H new ATOM 63 N LYS A 4 -7.987 2.256 -4.411 1.00 41.02 N ATOM 64 CA LYS A 4 -7.304 1.081 -4.996 1.00 13.31 C ATOM 65 C LYS A 4 -5.870 1.440 -5.435 1.00 40.15 C ATOM 66 O LYS A 4 -5.645 2.418 -6.153 1.00 60.41 O ATOM 67 CB LYS A 4 -8.121 0.471 -6.172 1.00 22.42 C ATOM 68 CG LYS A 4 -8.412 1.423 -7.354 1.00 63.03 C ATOM 69 CD LYS A 4 -9.110 0.709 -8.533 1.00 14.32 C ATOM 70 CE LYS A 4 -10.445 0.050 -8.135 1.00 53.35 C ATOM 71 NZ LYS A 4 -11.428 1.038 -7.618 1.00 63.42 N ATOM 0 H LYS A 4 -8.520 2.812 -5.080 1.00 41.02 H new ATOM 0 HA LYS A 4 -7.236 0.318 -4.221 1.00 13.31 H new ATOM 0 HB2 LYS A 4 -7.582 -0.396 -6.553 1.00 22.42 H new ATOM 0 HB3 LYS A 4 -9.071 0.108 -5.780 1.00 22.42 H new ATOM 0 HG2 LYS A 4 -9.040 2.244 -7.008 1.00 63.03 H new ATOM 0 HG3 LYS A 4 -7.477 1.861 -7.702 1.00 63.03 H new ATOM 0 HD2 LYS A 4 -9.291 1.429 -9.331 1.00 14.32 H new ATOM 0 HD3 LYS A 4 -8.442 -0.052 -8.936 1.00 14.32 H new ATOM 0 HE2 LYS A 4 -10.867 -0.462 -9.000 1.00 53.35 H new ATOM 0 HE3 LYS A 4 -10.261 -0.709 -7.374 1.00 53.35 H new ATOM 0 HZ1 LYS A 4 -12.316 0.552 -7.379 1.00 63.42 H new ATOM 0 HZ2 LYS A 4 -11.044 1.497 -6.767 1.00 63.42 H new ATOM 0 HZ3 LYS A 4 -11.612 1.758 -8.346 1.00 63.42 H new ATOM 85 N GLY A 5 -4.904 0.645 -4.960 1.00 3.52 N ATOM 86 CA GLY A 5 -3.482 0.863 -5.252 1.00 31.43 C ATOM 87 C GLY A 5 -2.845 -0.353 -5.881 1.00 21.11 C ATOM 88 O GLY A 5 -3.371 -1.446 -5.770 1.00 62.20 O ATOM 0 H GLY A 5 -5.084 -0.164 -4.365 1.00 3.52 H new ATOM 0 HA2 GLY A 5 -3.375 1.716 -5.922 1.00 31.43 H new ATOM 0 HA3 GLY A 5 -2.956 1.113 -4.331 1.00 31.43 H new ATOM 92 N VAL A 6 -1.708 -0.160 -6.545 1.00 42.44 N ATOM 93 CA VAL A 6 -0.975 -1.230 -7.220 1.00 73.31 C ATOM 94 C VAL A 6 0.192 -1.680 -6.339 1.00 22.34 C ATOM 95 O VAL A 6 0.963 -0.842 -5.845 1.00 5.21 O ATOM 96 CB VAL A 6 -0.466 -0.752 -8.627 1.00 34.13 C ATOM 97 CG1 VAL A 6 0.356 -1.851 -9.343 1.00 3.42 C ATOM 98 CG2 VAL A 6 -1.665 -0.292 -9.494 1.00 25.43 C ATOM 0 H VAL A 6 -1.264 0.754 -6.631 1.00 42.44 H new ATOM 0 HA VAL A 6 -1.643 -2.076 -7.382 1.00 73.31 H new ATOM 0 HB VAL A 6 0.203 0.095 -8.478 1.00 34.13 H new ATOM 0 HG11 VAL A 6 0.690 -1.482 -10.313 1.00 3.42 H new ATOM 0 HG12 VAL A 6 1.223 -2.111 -8.735 1.00 3.42 H new ATOM 0 HG13 VAL A 6 -0.265 -2.735 -9.486 1.00 3.42 H new ATOM 0 HG21 VAL A 6 -1.304 0.038 -10.468 1.00 25.43 H new ATOM 0 HG22 VAL A 6 -2.358 -1.123 -9.626 1.00 25.43 H new ATOM 0 HG23 VAL A 6 -2.177 0.533 -8.998 1.00 25.43 H new ATOM 108 N VAL A 7 0.290 -3.006 -6.129 1.00 34.33 N ATOM 109 CA VAL A 7 1.375 -3.637 -5.372 1.00 53.00 C ATOM 110 C VAL A 7 2.703 -3.472 -6.142 1.00 12.43 C ATOM 111 O VAL A 7 2.946 -4.192 -7.117 1.00 62.10 O ATOM 112 CB VAL A 7 1.078 -5.176 -5.145 1.00 11.14 C ATOM 113 CG1 VAL A 7 2.193 -5.863 -4.324 1.00 4.32 C ATOM 114 CG2 VAL A 7 -0.310 -5.411 -4.502 1.00 1.54 C ATOM 0 H VAL A 7 -0.393 -3.673 -6.487 1.00 34.33 H new ATOM 0 HA VAL A 7 1.450 -3.152 -4.399 1.00 53.00 H new ATOM 0 HB VAL A 7 1.063 -5.637 -6.132 1.00 11.14 H new ATOM 0 HG11 VAL A 7 1.950 -6.917 -4.191 1.00 4.32 H new ATOM 0 HG12 VAL A 7 3.142 -5.773 -4.853 1.00 4.32 H new ATOM 0 HG13 VAL A 7 2.274 -5.384 -3.348 1.00 4.32 H new ATOM 0 HG21 VAL A 7 -0.471 -6.480 -4.365 1.00 1.54 H new ATOM 0 HG22 VAL A 7 -0.352 -4.911 -3.535 1.00 1.54 H new ATOM 0 HG23 VAL A 7 -1.086 -5.008 -5.153 1.00 1.54 H new ATOM 124 N LEU A 8 3.535 -2.492 -5.743 1.00 60.10 N ATOM 125 CA LEU A 8 4.842 -2.270 -6.388 1.00 3.34 C ATOM 126 C LEU A 8 5.830 -3.362 -5.950 1.00 5.40 C ATOM 127 O LEU A 8 6.322 -4.139 -6.780 1.00 52.24 O ATOM 128 CB LEU A 8 5.402 -0.860 -6.065 1.00 61.15 C ATOM 129 CG LEU A 8 4.508 0.353 -6.476 1.00 3.34 C ATOM 130 CD1 LEU A 8 5.224 1.682 -6.171 1.00 70.44 C ATOM 131 CD2 LEU A 8 4.073 0.275 -7.959 1.00 74.22 C ATOM 0 H LEU A 8 3.327 -1.845 -4.982 1.00 60.10 H new ATOM 0 HA LEU A 8 4.706 -2.325 -7.468 1.00 3.34 H new ATOM 0 HB2 LEU A 8 5.584 -0.802 -4.992 1.00 61.15 H new ATOM 0 HB3 LEU A 8 6.368 -0.755 -6.558 1.00 61.15 H new ATOM 0 HG LEU A 8 3.598 0.310 -5.878 1.00 3.34 H new ATOM 0 HD11 LEU A 8 4.585 2.515 -6.464 1.00 70.44 H new ATOM 0 HD12 LEU A 8 5.435 1.745 -5.103 1.00 70.44 H new ATOM 0 HD13 LEU A 8 6.159 1.728 -6.729 1.00 70.44 H new ATOM 0 HD21 LEU A 8 3.453 1.138 -8.202 1.00 74.22 H new ATOM 0 HD22 LEU A 8 4.956 0.271 -8.598 1.00 74.22 H new ATOM 0 HD23 LEU A 8 3.503 -0.639 -8.123 1.00 74.22 H new ATOM 143 N SER A 9 6.066 -3.446 -4.627 1.00 70.33 N ATOM 144 CA SER A 9 7.029 -4.396 -4.051 1.00 75.10 C ATOM 145 C SER A 9 6.851 -4.520 -2.528 1.00 65.32 C ATOM 146 O SER A 9 6.213 -3.671 -1.893 1.00 3.23 O ATOM 147 CB SER A 9 8.480 -3.955 -4.389 1.00 13.24 C ATOM 148 OG SER A 9 9.440 -4.907 -3.960 1.00 53.33 O ATOM 0 H SER A 9 5.598 -2.861 -3.935 1.00 70.33 H new ATOM 0 HA SER A 9 6.841 -5.376 -4.490 1.00 75.10 H new ATOM 0 HB2 SER A 9 8.572 -3.807 -5.465 1.00 13.24 H new ATOM 0 HB3 SER A 9 8.686 -2.995 -3.916 1.00 13.24 H new ATOM 0 HG SER A 9 10.339 -4.593 -4.193 1.00 53.33 H new ATOM 154 N TYR A 10 7.405 -5.610 -1.970 1.00 2.10 N ATOM 155 CA TYR A 10 7.519 -5.851 -0.523 1.00 52.13 C ATOM 156 C TYR A 10 9.015 -5.892 -0.139 1.00 53.32 C ATOM 157 O TYR A 10 9.851 -6.353 -0.926 1.00 70.33 O ATOM 158 CB TYR A 10 6.847 -7.201 -0.136 1.00 2.43 C ATOM 159 CG TYR A 10 5.303 -7.201 -0.105 1.00 31.35 C ATOM 160 CD1 TYR A 10 4.546 -7.411 -1.260 1.00 55.32 C ATOM 161 CD2 TYR A 10 4.604 -7.034 1.101 1.00 52.10 C ATOM 162 CE1 TYR A 10 3.160 -7.440 -1.212 1.00 53.12 C ATOM 163 CE2 TYR A 10 3.224 -7.059 1.146 1.00 3.23 C ATOM 164 CZ TYR A 10 2.509 -7.272 -0.010 1.00 52.03 C ATOM 165 OH TYR A 10 1.134 -7.290 0.032 1.00 12.32 O ATOM 0 H TYR A 10 7.796 -6.368 -2.529 1.00 2.10 H new ATOM 0 HA TYR A 10 7.013 -5.047 0.012 1.00 52.13 H new ATOM 0 HB2 TYR A 10 7.177 -7.964 -0.841 1.00 2.43 H new ATOM 0 HB3 TYR A 10 7.211 -7.497 0.848 1.00 2.43 H new ATOM 0 HD1 TYR A 10 5.048 -7.553 -2.206 1.00 55.32 H new ATOM 0 HD2 TYR A 10 5.159 -6.882 2.015 1.00 52.10 H new ATOM 0 HE1 TYR A 10 2.591 -7.594 -2.117 1.00 53.12 H new ATOM 0 HE2 TYR A 10 2.709 -6.912 2.084 1.00 3.23 H new ATOM 0 HH TYR A 10 0.802 -8.069 -0.462 1.00 12.32 H new ATOM 175 N ARG A 11 9.349 -5.399 1.064 1.00 22.50 N ATOM 176 CA ARG A 11 10.707 -5.488 1.631 1.00 31.34 C ATOM 177 C ARG A 11 10.564 -5.894 3.107 1.00 23.12 C ATOM 178 O ARG A 11 10.170 -5.074 3.938 1.00 64.52 O ATOM 179 CB ARG A 11 11.443 -4.114 1.469 1.00 63.24 C ATOM 180 CG ARG A 11 12.986 -4.125 1.716 1.00 22.42 C ATOM 181 CD ARG A 11 13.399 -4.142 3.207 1.00 21.13 C ATOM 182 NE ARG A 11 14.859 -4.162 3.387 1.00 32.25 N ATOM 183 CZ ARG A 11 15.492 -4.145 4.573 1.00 13.22 C ATOM 184 NH1 ARG A 11 14.815 -4.115 5.722 1.00 30.12 N ATOM 185 NH2 ARG A 11 16.813 -4.131 4.598 1.00 1.43 N ATOM 0 H ARG A 11 8.683 -4.925 1.674 1.00 22.50 H new ATOM 0 HA ARG A 11 11.309 -6.232 1.109 1.00 31.34 H new ATOM 0 HB2 ARG A 11 11.260 -3.744 0.460 1.00 63.24 H new ATOM 0 HB3 ARG A 11 10.991 -3.400 2.157 1.00 63.24 H new ATOM 0 HG2 ARG A 11 13.413 -4.999 1.224 1.00 22.42 H new ATOM 0 HG3 ARG A 11 13.423 -3.246 1.241 1.00 22.42 H new ATOM 0 HD2 ARG A 11 12.987 -3.264 3.705 1.00 21.13 H new ATOM 0 HD3 ARG A 11 12.964 -5.017 3.691 1.00 21.13 H new ATOM 0 HE ARG A 11 15.436 -4.191 2.546 1.00 32.25 H new ATOM 0 HH11 ARG A 11 13.795 -4.105 5.713 1.00 30.12 H new ATOM 0 HH12 ARG A 11 15.317 -4.103 6.610 1.00 30.12 H new ATOM 0 HH21 ARG A 11 17.340 -4.133 3.724 1.00 1.43 H new ATOM 0 HH22 ARG A 11 17.306 -4.118 5.491 1.00 1.43 H new ATOM 334 N ASN A 20 6.807 -6.014 7.342 1.00 75.35 N ATOM 335 CA ASN A 20 7.268 -5.875 5.962 1.00 51.20 C ATOM 336 C ASN A 20 6.886 -4.482 5.439 1.00 50.14 C ATOM 337 O ASN A 20 5.725 -4.094 5.512 1.00 1.32 O ATOM 338 CB ASN A 20 6.617 -7.002 5.122 1.00 33.31 C ATOM 339 CG ASN A 20 7.084 -7.094 3.668 1.00 72.42 C ATOM 340 OD1 ASN A 20 7.395 -6.104 3.016 1.00 30.30 O ATOM 341 ND2 ASN A 20 7.138 -8.305 3.143 1.00 41.41 N ATOM 0 HA ASN A 20 8.352 -5.968 5.894 1.00 51.20 H new ATOM 0 HB2 ASN A 20 6.816 -7.956 5.610 1.00 33.31 H new ATOM 0 HB3 ASN A 20 5.536 -6.859 5.130 1.00 33.31 H new ATOM 0 HD21 ASN A 20 7.443 -8.429 2.178 1.00 41.41 H new ATOM 0 HD22 ASN A 20 6.875 -9.116 3.703 1.00 41.41 H new ATOM 348 N VAL A 21 7.869 -3.751 4.900 1.00 23.45 N ATOM 349 CA VAL A 21 7.639 -2.441 4.291 1.00 54.31 C ATOM 350 C VAL A 21 7.293 -2.648 2.809 1.00 4.44 C ATOM 351 O VAL A 21 8.148 -2.972 1.982 1.00 41.45 O ATOM 352 CB VAL A 21 8.905 -1.513 4.430 1.00 5.24 C ATOM 353 CG1 VAL A 21 8.735 -0.200 3.628 1.00 4.31 C ATOM 354 CG2 VAL A 21 9.187 -1.215 5.917 1.00 31.22 C ATOM 0 H VAL A 21 8.843 -4.052 4.875 1.00 23.45 H new ATOM 0 HA VAL A 21 6.816 -1.947 4.807 1.00 54.31 H new ATOM 0 HB VAL A 21 9.760 -2.043 4.011 1.00 5.24 H new ATOM 0 HG11 VAL A 21 9.626 0.416 3.746 1.00 4.31 H new ATOM 0 HG12 VAL A 21 8.593 -0.434 2.573 1.00 4.31 H new ATOM 0 HG13 VAL A 21 7.866 0.343 4.000 1.00 4.31 H new ATOM 0 HG21 VAL A 21 10.064 -0.573 5.999 1.00 31.22 H new ATOM 0 HG22 VAL A 21 8.326 -0.712 6.357 1.00 31.22 H new ATOM 0 HG23 VAL A 21 9.370 -2.150 6.447 1.00 31.22 H new ATOM 364 N MET A 22 6.007 -2.481 2.520 1.00 13.13 N ATOM 365 CA MET A 22 5.448 -2.564 1.173 1.00 61.34 C ATOM 366 C MET A 22 5.276 -1.150 0.614 1.00 72.01 C ATOM 367 O MET A 22 4.836 -0.246 1.329 1.00 62.21 O ATOM 368 CB MET A 22 4.083 -3.279 1.237 1.00 44.22 C ATOM 369 CG MET A 22 3.303 -3.318 -0.084 1.00 51.42 C ATOM 370 SD MET A 22 1.711 -4.136 0.101 1.00 12.54 S ATOM 371 CE MET A 22 0.974 -3.866 -1.492 1.00 14.03 C ATOM 0 H MET A 22 5.306 -2.279 3.233 1.00 13.13 H new ATOM 0 HA MET A 22 6.117 -3.127 0.522 1.00 61.34 H new ATOM 0 HB2 MET A 22 4.243 -4.302 1.576 1.00 44.22 H new ATOM 0 HB3 MET A 22 3.468 -2.786 1.989 1.00 44.22 H new ATOM 0 HG2 MET A 22 3.149 -2.301 -0.445 1.00 51.42 H new ATOM 0 HG3 MET A 22 3.893 -3.838 -0.839 1.00 51.42 H new ATOM 0 HE1 MET A 22 0.196 -3.107 -1.409 1.00 14.03 H new ATOM 0 HE2 MET A 22 1.737 -3.528 -2.193 1.00 14.03 H new ATOM 0 HE3 MET A 22 0.536 -4.797 -1.853 1.00 14.03 H new ATOM 381 N ILE A 23 5.652 -0.958 -0.654 1.00 70.13 N ATOM 382 CA ILE A 23 5.439 0.304 -1.364 1.00 51.43 C ATOM 383 C ILE A 23 4.263 0.115 -2.341 1.00 32.12 C ATOM 384 O ILE A 23 4.208 -0.887 -3.066 1.00 60.42 O ATOM 385 CB ILE A 23 6.737 0.767 -2.122 1.00 44.23 C ATOM 386 CG1 ILE A 23 8.002 0.697 -1.192 1.00 64.03 C ATOM 387 CG2 ILE A 23 6.551 2.195 -2.681 1.00 10.15 C ATOM 388 CD1 ILE A 23 7.917 1.532 0.082 1.00 53.13 C ATOM 0 H ILE A 23 6.112 -1.674 -1.216 1.00 70.13 H new ATOM 0 HA ILE A 23 5.203 1.090 -0.646 1.00 51.43 H new ATOM 0 HB ILE A 23 6.902 0.083 -2.954 1.00 44.23 H new ATOM 0 HG12 ILE A 23 8.173 -0.343 -0.915 1.00 64.03 H new ATOM 0 HG13 ILE A 23 8.872 1.022 -1.763 1.00 64.03 H new ATOM 0 HG21 ILE A 23 7.457 2.502 -3.203 1.00 10.15 H new ATOM 0 HG22 ILE A 23 5.711 2.207 -3.375 1.00 10.15 H new ATOM 0 HG23 ILE A 23 6.354 2.884 -1.860 1.00 10.15 H new ATOM 0 HD11 ILE A 23 8.837 1.417 0.655 1.00 53.13 H new ATOM 0 HD12 ILE A 23 7.781 2.582 -0.179 1.00 53.13 H new ATOM 0 HD13 ILE A 23 7.072 1.195 0.682 1.00 53.13 H new ATOM 400 N ILE A 24 3.307 1.055 -2.311 1.00 63.22 N ATOM 401 CA ILE A 24 2.049 0.978 -3.084 1.00 74.13 C ATOM 402 C ILE A 24 1.903 2.247 -3.943 1.00 62.45 C ATOM 403 O ILE A 24 2.390 3.309 -3.555 1.00 15.14 O ATOM 404 CB ILE A 24 0.811 0.873 -2.109 1.00 71.43 C ATOM 405 CG1 ILE A 24 1.052 -0.189 -0.993 1.00 72.13 C ATOM 406 CG2 ILE A 24 -0.496 0.578 -2.881 1.00 42.02 C ATOM 407 CD1 ILE A 24 -0.020 -0.239 0.079 1.00 32.24 C ATOM 0 H ILE A 24 3.382 1.900 -1.745 1.00 63.22 H new ATOM 0 HA ILE A 24 2.079 0.093 -3.720 1.00 74.13 H new ATOM 0 HB ILE A 24 0.699 1.844 -1.626 1.00 71.43 H new ATOM 0 HG12 ILE A 24 1.128 -1.172 -1.457 1.00 72.13 H new ATOM 0 HG13 ILE A 24 2.012 0.015 -0.518 1.00 72.13 H new ATOM 0 HG21 ILE A 24 -1.327 0.512 -2.178 1.00 42.02 H new ATOM 0 HG22 ILE A 24 -0.686 1.380 -3.594 1.00 42.02 H new ATOM 0 HG23 ILE A 24 -0.398 -0.367 -3.415 1.00 42.02 H new ATOM 0 HD11 ILE A 24 0.233 -1.006 0.811 1.00 32.24 H new ATOM 0 HD12 ILE A 24 -0.084 0.729 0.575 1.00 32.24 H new ATOM 0 HD13 ILE A 24 -0.981 -0.476 -0.378 1.00 32.24 H new ATOM 419 N LYS A 25 1.233 2.138 -5.103 1.00 4.44 N ATOM 420 CA LYS A 25 0.851 3.301 -5.925 1.00 21.13 C ATOM 421 C LYS A 25 -0.677 3.359 -6.095 1.00 3.15 C ATOM 422 O LYS A 25 -1.221 2.658 -6.947 1.00 2.22 O ATOM 423 CB LYS A 25 1.551 3.279 -7.326 1.00 43.05 C ATOM 424 CG LYS A 25 2.832 4.141 -7.441 1.00 3.04 C ATOM 425 CD LYS A 25 2.618 5.625 -7.069 1.00 61.55 C ATOM 426 CE LYS A 25 1.472 6.295 -7.849 1.00 0.21 C ATOM 427 NZ LYS A 25 1.604 6.162 -9.326 1.00 22.31 N ATOM 0 H LYS A 25 0.941 1.244 -5.497 1.00 4.44 H new ATOM 0 HA LYS A 25 1.187 4.196 -5.401 1.00 21.13 H new ATOM 0 HB2 LYS A 25 1.804 2.247 -7.571 1.00 43.05 H new ATOM 0 HB3 LYS A 25 0.836 3.618 -8.076 1.00 43.05 H new ATOM 0 HG2 LYS A 25 3.601 3.721 -6.793 1.00 3.04 H new ATOM 0 HG3 LYS A 25 3.208 4.082 -8.462 1.00 3.04 H new ATOM 0 HD2 LYS A 25 2.411 5.697 -6.001 1.00 61.55 H new ATOM 0 HD3 LYS A 25 3.541 6.174 -7.253 1.00 61.55 H new ATOM 0 HE2 LYS A 25 0.524 5.857 -7.536 1.00 0.21 H new ATOM 0 HE3 LYS A 25 1.435 7.353 -7.589 1.00 0.21 H new ATOM 0 HZ1 LYS A 25 1.183 6.993 -9.788 1.00 22.31 H new ATOM 0 HZ2 LYS A 25 2.610 6.097 -9.580 1.00 22.31 H new ATOM 0 HZ3 LYS A 25 1.111 5.303 -9.643 1.00 22.31 H new ATOM 441 N PRO A 26 -1.401 4.197 -5.288 1.00 11.01 N ATOM 442 CA PRO A 26 -2.831 4.479 -5.530 1.00 42.34 C ATOM 443 C PRO A 26 -3.017 5.188 -6.891 1.00 42.20 C ATOM 444 O PRO A 26 -2.234 6.077 -7.229 1.00 21.24 O ATOM 445 CB PRO A 26 -3.244 5.387 -4.331 1.00 12.42 C ATOM 446 CG PRO A 26 -2.158 5.203 -3.302 1.00 11.40 C ATOM 447 CD PRO A 26 -0.895 4.936 -4.095 1.00 72.32 C ATOM 0 HA PRO A 26 -3.447 3.581 -5.585 1.00 42.34 H new ATOM 0 HB2 PRO A 26 -3.324 6.430 -4.637 1.00 12.42 H new ATOM 0 HB3 PRO A 26 -4.216 5.096 -3.933 1.00 12.42 H new ATOM 0 HG2 PRO A 26 -2.051 6.092 -2.680 1.00 11.40 H new ATOM 0 HG3 PRO A 26 -2.386 4.372 -2.634 1.00 11.40 H new ATOM 0 HD2 PRO A 26 -0.391 5.861 -4.376 1.00 72.32 H new ATOM 0 HD3 PRO A 26 -0.179 4.343 -3.526 1.00 72.32 H new ATOM 455 N LEU A 27 -4.021 4.762 -7.679 1.00 52.22 N ATOM 456 CA LEU A 27 -4.338 5.390 -8.993 1.00 30.54 C ATOM 457 C LEU A 27 -4.714 6.879 -8.823 1.00 33.24 C ATOM 458 O LEU A 27 -4.445 7.714 -9.696 1.00 12.50 O ATOM 459 CB LEU A 27 -5.491 4.628 -9.703 1.00 14.53 C ATOM 460 CG LEU A 27 -5.252 3.111 -9.996 1.00 71.24 C ATOM 461 CD1 LEU A 27 -6.475 2.496 -10.711 1.00 30.45 C ATOM 462 CD2 LEU A 27 -3.954 2.869 -10.806 1.00 12.34 C ATOM 0 H LEU A 27 -4.633 3.984 -7.435 1.00 52.22 H new ATOM 0 HA LEU A 27 -3.443 5.330 -9.612 1.00 30.54 H new ATOM 0 HB2 LEU A 27 -6.388 4.719 -9.090 1.00 14.53 H new ATOM 0 HB3 LEU A 27 -5.699 5.129 -10.649 1.00 14.53 H new ATOM 0 HG LEU A 27 -5.124 2.611 -9.036 1.00 71.24 H new ATOM 0 HD11 LEU A 27 -6.289 1.440 -10.906 1.00 30.45 H new ATOM 0 HD12 LEU A 27 -7.356 2.598 -10.078 1.00 30.45 H new ATOM 0 HD13 LEU A 27 -6.644 3.015 -11.654 1.00 30.45 H new ATOM 0 HD21 LEU A 27 -3.831 1.801 -10.985 1.00 12.34 H new ATOM 0 HD22 LEU A 27 -4.018 3.392 -11.760 1.00 12.34 H new ATOM 0 HD23 LEU A 27 -3.099 3.244 -10.243 1.00 12.34 H new ATOM 474 N ASP A 28 -5.311 7.169 -7.662 1.00 34.45 N ATOM 475 CA ASP A 28 -5.789 8.500 -7.261 1.00 62.41 C ATOM 476 C ASP A 28 -4.617 9.448 -6.902 1.00 52.41 C ATOM 477 O ASP A 28 -4.725 10.668 -7.055 1.00 13.42 O ATOM 478 CB ASP A 28 -6.750 8.307 -6.048 1.00 1.50 C ATOM 479 CG ASP A 28 -7.398 9.604 -5.544 1.00 62.41 C ATOM 480 OD1 ASP A 28 -8.422 10.033 -6.117 1.00 73.14 O ATOM 481 OD2 ASP A 28 -6.902 10.194 -4.566 1.00 14.22 O ATOM 0 H ASP A 28 -5.481 6.459 -6.949 1.00 34.45 H new ATOM 0 HA ASP A 28 -6.314 8.971 -8.092 1.00 62.41 H new ATOM 0 HB2 ASP A 28 -7.537 7.607 -6.330 1.00 1.50 H new ATOM 0 HB3 ASP A 28 -6.195 7.849 -5.229 1.00 1.50 H new ATOM 486 N VAL A 29 -3.495 8.862 -6.457 1.00 14.04 N ATOM 487 CA VAL A 29 -2.350 9.601 -5.886 1.00 10.30 C ATOM 488 C VAL A 29 -1.109 9.430 -6.769 1.00 3.41 C ATOM 489 O VAL A 29 -0.662 8.306 -6.985 1.00 15.44 O ATOM 490 CB VAL A 29 -2.048 9.067 -4.441 1.00 2.32 C ATOM 491 CG1 VAL A 29 -0.797 9.721 -3.816 1.00 34.41 C ATOM 492 CG2 VAL A 29 -3.275 9.245 -3.529 1.00 61.14 C ATOM 0 H VAL A 29 -3.352 7.852 -6.482 1.00 14.04 H new ATOM 0 HA VAL A 29 -2.603 10.660 -5.839 1.00 10.30 H new ATOM 0 HB VAL A 29 -1.831 8.003 -4.534 1.00 2.32 H new ATOM 0 HG11 VAL A 29 -0.635 9.315 -2.817 1.00 34.41 H new ATOM 0 HG12 VAL A 29 0.073 9.511 -4.439 1.00 34.41 H new ATOM 0 HG13 VAL A 29 -0.944 10.799 -3.750 1.00 34.41 H new ATOM 0 HG21 VAL A 29 -3.045 8.869 -2.532 1.00 61.14 H new ATOM 0 HG22 VAL A 29 -3.532 10.302 -3.467 1.00 61.14 H new ATOM 0 HG23 VAL A 29 -4.118 8.690 -3.941 1.00 61.14 H new ATOM 502 N ASN A 30 -0.555 10.550 -7.273 1.00 42.13 N ATOM 503 CA ASN A 30 0.699 10.562 -8.071 1.00 34.53 C ATOM 504 C ASN A 30 1.642 11.699 -7.616 1.00 60.02 C ATOM 505 O ASN A 30 2.614 12.011 -8.308 1.00 73.50 O ATOM 506 CB ASN A 30 0.389 10.671 -9.598 1.00 1.43 C ATOM 507 CG ASN A 30 -0.270 9.415 -10.184 1.00 71.40 C ATOM 508 OD1 ASN A 30 0.413 8.494 -10.652 1.00 15.53 O ATOM 509 ND2 ASN A 30 -1.598 9.358 -10.150 1.00 1.41 N ATOM 0 H ASN A 30 -0.961 11.476 -7.141 1.00 42.13 H new ATOM 0 HA ASN A 30 1.212 9.616 -7.897 1.00 34.53 H new ATOM 0 HB2 ASN A 30 -0.265 11.526 -9.767 1.00 1.43 H new ATOM 0 HB3 ASN A 30 1.317 10.868 -10.135 1.00 1.43 H new ATOM 0 HD21 ASN A 30 -2.083 8.539 -10.516 1.00 1.41 H new ATOM 0 HD22 ASN A 30 -2.132 10.134 -9.758 1.00 1.41 H new ATOM 516 N SER A 31 1.375 12.289 -6.432 1.00 20.42 N ATOM 517 CA SER A 31 2.243 13.321 -5.807 1.00 31.34 C ATOM 518 C SER A 31 2.372 13.049 -4.301 1.00 52.25 C ATOM 519 O SER A 31 1.459 12.475 -3.688 1.00 54.02 O ATOM 520 CB SER A 31 1.666 14.738 -6.051 1.00 43.41 C ATOM 521 OG SER A 31 1.413 14.948 -7.429 1.00 13.42 O ATOM 0 H SER A 31 0.549 12.065 -5.877 1.00 20.42 H new ATOM 0 HA SER A 31 3.232 13.272 -6.263 1.00 31.34 H new ATOM 0 HB2 SER A 31 0.743 14.862 -5.484 1.00 43.41 H new ATOM 0 HB3 SER A 31 2.367 15.489 -5.687 1.00 43.41 H new ATOM 0 HG SER A 31 1.048 15.848 -7.561 1.00 13.42 H new ATOM 527 N ARG A 32 3.520 13.466 -3.726 1.00 75.21 N ATOM 528 CA ARG A 32 3.857 13.265 -2.305 1.00 52.52 C ATOM 529 C ARG A 32 2.847 13.936 -1.371 1.00 32.20 C ATOM 530 O ARG A 32 2.514 13.371 -0.340 1.00 10.23 O ATOM 531 CB ARG A 32 5.287 13.793 -2.012 1.00 13.45 C ATOM 532 CG ARG A 32 5.723 13.739 -0.527 1.00 43.13 C ATOM 533 CD ARG A 32 7.199 14.112 -0.313 1.00 10.32 C ATOM 534 NE ARG A 32 7.523 14.194 1.119 1.00 25.30 N ATOM 535 CZ ARG A 32 8.729 13.971 1.662 1.00 1.01 C ATOM 536 NH1 ARG A 32 9.774 13.639 0.906 1.00 72.11 N ATOM 537 NH2 ARG A 32 8.880 14.088 2.972 1.00 41.22 N ATOM 0 H ARG A 32 4.247 13.958 -4.245 1.00 75.21 H new ATOM 0 HA ARG A 32 3.819 12.193 -2.112 1.00 52.52 H new ATOM 0 HB2 ARG A 32 5.998 13.215 -2.603 1.00 13.45 H new ATOM 0 HB3 ARG A 32 5.352 14.826 -2.355 1.00 13.45 H new ATOM 0 HG2 ARG A 32 5.096 14.416 0.053 1.00 43.13 H new ATOM 0 HG3 ARG A 32 5.550 12.735 -0.141 1.00 43.13 H new ATOM 0 HD2 ARG A 32 7.838 13.370 -0.791 1.00 10.32 H new ATOM 0 HD3 ARG A 32 7.408 15.069 -0.792 1.00 10.32 H new ATOM 0 HE ARG A 32 6.765 14.442 1.755 1.00 25.30 H new ATOM 0 HH11 ARG A 32 9.665 13.550 -0.104 1.00 72.11 H new ATOM 0 HH12 ARG A 32 10.683 13.473 1.337 1.00 72.11 H new ATOM 0 HH21 ARG A 32 8.084 14.345 3.556 1.00 41.22 H new ATOM 0 HH22 ARG A 32 9.792 13.921 3.397 1.00 41.22 H new ATOM 551 N GLU A 33 2.372 15.139 -1.747 1.00 43.22 N ATOM 552 CA GLU A 33 1.361 15.891 -0.963 1.00 62.20 C ATOM 553 C GLU A 33 0.032 15.119 -0.871 1.00 73.34 C ATOM 554 O GLU A 33 -0.600 15.081 0.195 1.00 0.13 O ATOM 555 CB GLU A 33 1.134 17.309 -1.570 1.00 12.50 C ATOM 556 CG GLU A 33 2.212 18.356 -1.196 1.00 14.22 C ATOM 557 CD GLU A 33 3.648 17.942 -1.568 1.00 64.45 C ATOM 558 OE1 GLU A 33 4.046 18.119 -2.736 1.00 53.41 O ATOM 559 OE2 GLU A 33 4.387 17.423 -0.696 1.00 62.24 O ATOM 0 H GLU A 33 2.673 15.618 -2.596 1.00 43.22 H new ATOM 0 HA GLU A 33 1.748 16.007 0.050 1.00 62.20 H new ATOM 0 HB2 GLU A 33 1.094 17.222 -2.656 1.00 12.50 H new ATOM 0 HB3 GLU A 33 0.161 17.677 -1.243 1.00 12.50 H new ATOM 0 HG2 GLU A 33 1.977 19.297 -1.693 1.00 14.22 H new ATOM 0 HG3 GLU A 33 2.166 18.542 -0.123 1.00 14.22 H new ATOM 566 N GLU A 34 -0.353 14.489 -1.993 1.00 34.11 N ATOM 567 CA GLU A 34 -1.567 13.657 -2.070 1.00 62.31 C ATOM 568 C GLU A 34 -1.443 12.423 -1.160 1.00 63.02 C ATOM 569 O GLU A 34 -2.421 11.997 -0.555 1.00 34.45 O ATOM 570 CB GLU A 34 -1.833 13.224 -3.530 1.00 43.22 C ATOM 571 CG GLU A 34 -2.020 14.384 -4.520 1.00 63.42 C ATOM 572 CD GLU A 34 -2.302 13.903 -5.948 1.00 61.12 C ATOM 573 OE1 GLU A 34 -1.358 13.464 -6.629 1.00 40.14 O ATOM 574 OE2 GLU A 34 -3.474 13.942 -6.385 1.00 4.13 O ATOM 0 H GLU A 34 0.166 14.541 -2.870 1.00 34.11 H new ATOM 0 HA GLU A 34 -2.411 14.254 -1.724 1.00 62.31 H new ATOM 0 HB2 GLU A 34 -1.001 12.606 -3.869 1.00 43.22 H new ATOM 0 HB3 GLU A 34 -2.725 12.598 -3.552 1.00 43.22 H new ATOM 0 HG2 GLU A 34 -2.844 15.014 -4.184 1.00 63.42 H new ATOM 0 HG3 GLU A 34 -1.124 15.004 -4.520 1.00 63.42 H new ATOM 581 N ALA A 35 -0.215 11.885 -1.072 1.00 35.12 N ATOM 582 CA ALA A 35 0.123 10.742 -0.207 1.00 44.42 C ATOM 583 C ALA A 35 0.276 11.180 1.266 1.00 63.21 C ATOM 584 O ALA A 35 -0.029 10.408 2.182 1.00 54.55 O ATOM 585 CB ALA A 35 1.416 10.087 -0.725 1.00 13.23 C ATOM 0 H ALA A 35 0.580 12.236 -1.606 1.00 35.12 H new ATOM 0 HA ALA A 35 -0.689 10.016 -0.241 1.00 44.42 H new ATOM 0 HB1 ALA A 35 1.674 9.239 -0.090 1.00 13.23 H new ATOM 0 HB2 ALA A 35 1.264 9.742 -1.748 1.00 13.23 H new ATOM 0 HB3 ALA A 35 2.226 10.816 -0.704 1.00 13.23 H new ATOM 591 N SER A 36 0.719 12.440 1.467 1.00 43.32 N ATOM 592 CA SER A 36 1.061 12.997 2.796 1.00 40.55 C ATOM 593 C SER A 36 -0.204 13.276 3.626 1.00 63.22 C ATOM 594 O SER A 36 -0.177 13.184 4.857 1.00 64.51 O ATOM 595 CB SER A 36 1.900 14.290 2.633 1.00 25.33 C ATOM 596 OG SER A 36 2.232 14.868 3.885 1.00 72.41 O ATOM 0 H SER A 36 0.851 13.106 0.705 1.00 43.32 H new ATOM 0 HA SER A 36 1.654 12.256 3.332 1.00 40.55 H new ATOM 0 HB2 SER A 36 2.814 14.063 2.085 1.00 25.33 H new ATOM 0 HB3 SER A 36 1.342 15.012 2.037 1.00 25.33 H new ATOM 0 HG SER A 36 2.762 15.680 3.740 1.00 72.41 H new ATOM 602 N LYS A 37 -1.312 13.629 2.942 1.00 42.14 N ATOM 603 CA LYS A 37 -2.620 13.828 3.606 1.00 43.01 C ATOM 604 C LYS A 37 -3.308 12.471 3.888 1.00 33.15 C ATOM 605 O LYS A 37 -4.301 12.405 4.617 1.00 51.12 O ATOM 606 CB LYS A 37 -3.546 14.727 2.741 1.00 2.44 C ATOM 607 CG LYS A 37 -4.111 14.057 1.466 1.00 54.21 C ATOM 608 CD LYS A 37 -5.219 14.894 0.782 1.00 53.10 C ATOM 609 CE LYS A 37 -5.886 14.141 -0.382 1.00 42.24 C ATOM 610 NZ LYS A 37 -4.906 13.704 -1.413 1.00 20.14 N ATOM 0 H LYS A 37 -1.329 13.782 1.934 1.00 42.14 H new ATOM 0 HA LYS A 37 -2.438 14.328 4.557 1.00 43.01 H new ATOM 0 HB2 LYS A 37 -4.381 15.060 3.357 1.00 2.44 H new ATOM 0 HB3 LYS A 37 -2.990 15.618 2.448 1.00 2.44 H new ATOM 0 HG2 LYS A 37 -3.298 13.893 0.758 1.00 54.21 H new ATOM 0 HG3 LYS A 37 -4.511 13.077 1.725 1.00 54.21 H new ATOM 0 HD2 LYS A 37 -5.976 15.162 1.519 1.00 53.10 H new ATOM 0 HD3 LYS A 37 -4.791 15.825 0.411 1.00 53.10 H new ATOM 0 HE2 LYS A 37 -6.412 13.269 0.007 1.00 42.24 H new ATOM 0 HE3 LYS A 37 -6.634 14.784 -0.846 1.00 42.24 H new ATOM 0 HZ1 LYS A 37 -5.402 13.187 -2.167 1.00 20.14 H new ATOM 0 HZ2 LYS A 37 -4.433 14.537 -1.818 1.00 20.14 H new ATOM 0 HZ3 LYS A 37 -4.197 13.082 -0.976 1.00 20.14 H new ATOM 624 N LEU A 38 -2.762 11.398 3.291 1.00 14.30 N ATOM 625 CA LEU A 38 -3.324 10.042 3.355 1.00 3.54 C ATOM 626 C LEU A 38 -2.454 9.110 4.213 1.00 74.31 C ATOM 627 O LEU A 38 -2.501 7.879 4.053 1.00 51.45 O ATOM 628 CB LEU A 38 -3.473 9.492 1.912 1.00 21.14 C ATOM 629 CG LEU A 38 -4.549 10.180 1.015 1.00 60.11 C ATOM 630 CD1 LEU A 38 -4.668 9.476 -0.347 1.00 23.14 C ATOM 631 CD2 LEU A 38 -5.920 10.250 1.718 1.00 13.44 C ATOM 0 H LEU A 38 -1.904 11.451 2.742 1.00 14.30 H new ATOM 0 HA LEU A 38 -4.303 10.086 3.832 1.00 3.54 H new ATOM 0 HB2 LEU A 38 -2.508 9.576 1.413 1.00 21.14 H new ATOM 0 HB3 LEU A 38 -3.708 8.430 1.974 1.00 21.14 H new ATOM 0 HG LEU A 38 -4.217 11.204 0.841 1.00 60.11 H new ATOM 0 HD11 LEU A 38 -5.425 9.977 -0.951 1.00 23.14 H new ATOM 0 HD12 LEU A 38 -3.708 9.516 -0.862 1.00 23.14 H new ATOM 0 HD13 LEU A 38 -4.955 8.436 -0.195 1.00 23.14 H new ATOM 0 HD21 LEU A 38 -6.641 10.736 1.061 1.00 13.44 H new ATOM 0 HD22 LEU A 38 -6.262 9.241 1.950 1.00 13.44 H new ATOM 0 HD23 LEU A 38 -5.827 10.823 2.641 1.00 13.44 H new ATOM 643 N ILE A 39 -1.667 9.695 5.131 1.00 34.23 N ATOM 644 CA ILE A 39 -0.883 8.933 6.111 1.00 42.53 C ATOM 645 C ILE A 39 -1.814 8.399 7.212 1.00 71.11 C ATOM 646 O ILE A 39 -2.696 9.122 7.696 1.00 10.33 O ATOM 647 CB ILE A 39 0.273 9.803 6.740 1.00 25.03 C ATOM 648 CG1 ILE A 39 1.234 10.330 5.628 1.00 52.24 C ATOM 649 CG2 ILE A 39 1.066 9.034 7.832 1.00 23.55 C ATOM 650 CD1 ILE A 39 1.830 9.260 4.731 1.00 32.13 C ATOM 0 H ILE A 39 -1.558 10.706 5.213 1.00 34.23 H new ATOM 0 HA ILE A 39 -0.413 8.097 5.594 1.00 42.53 H new ATOM 0 HB ILE A 39 -0.199 10.655 7.230 1.00 25.03 H new ATOM 0 HG12 ILE A 39 0.690 11.041 5.007 1.00 52.24 H new ATOM 0 HG13 ILE A 39 2.048 10.879 6.103 1.00 52.24 H new ATOM 0 HG21 ILE A 39 1.850 9.677 8.233 1.00 23.55 H new ATOM 0 HG22 ILE A 39 0.390 8.742 8.635 1.00 23.55 H new ATOM 0 HG23 ILE A 39 1.516 8.143 7.395 1.00 23.55 H new ATOM 0 HD11 ILE A 39 2.482 9.726 3.992 1.00 32.13 H new ATOM 0 HD12 ILE A 39 2.407 8.560 5.334 1.00 32.13 H new ATOM 0 HD13 ILE A 39 1.029 8.725 4.221 1.00 32.13 H new ATOM 662 N GLY A 40 -1.626 7.126 7.573 1.00 41.10 N ATOM 663 CA GLY A 40 -2.368 6.486 8.657 1.00 25.10 C ATOM 664 C GLY A 40 -3.427 5.518 8.162 1.00 33.40 C ATOM 665 O GLY A 40 -3.992 4.785 8.971 1.00 65.50 O ATOM 0 H GLY A 40 -0.952 6.510 7.118 1.00 41.10 H new ATOM 0 HA2 GLY A 40 -1.670 5.953 9.302 1.00 25.10 H new ATOM 0 HA3 GLY A 40 -2.843 7.254 9.267 1.00 25.10 H new ATOM 669 N ARG A 41 -3.688 5.509 6.833 1.00 54.14 N ATOM 670 CA ARG A 41 -4.727 4.656 6.214 1.00 12.32 C ATOM 671 C ARG A 41 -4.444 3.147 6.408 1.00 2.05 C ATOM 672 O ARG A 41 -3.285 2.726 6.448 1.00 3.30 O ATOM 673 CB ARG A 41 -4.870 4.951 4.700 1.00 73.21 C ATOM 674 CG ARG A 41 -5.497 6.309 4.328 1.00 3.30 C ATOM 675 CD ARG A 41 -5.669 6.456 2.797 1.00 13.30 C ATOM 676 NE ARG A 41 -4.372 6.416 2.080 1.00 3.13 N ATOM 677 CZ ARG A 41 -4.199 6.133 0.767 1.00 64.14 C ATOM 678 NH1 ARG A 41 -5.229 5.831 -0.009 1.00 73.12 N ATOM 679 NH2 ARG A 41 -2.981 6.184 0.237 1.00 24.51 N ATOM 0 H ARG A 41 -3.185 6.091 6.163 1.00 54.14 H new ATOM 0 HA ARG A 41 -5.659 4.901 6.724 1.00 12.32 H new ATOM 0 HB2 ARG A 41 -3.881 4.894 4.245 1.00 73.21 H new ATOM 0 HB3 ARG A 41 -5.473 4.161 4.252 1.00 73.21 H new ATOM 0 HG2 ARG A 41 -6.467 6.408 4.815 1.00 3.30 H new ATOM 0 HG3 ARG A 41 -4.868 7.116 4.703 1.00 3.30 H new ATOM 0 HD2 ARG A 41 -6.311 5.657 2.427 1.00 13.30 H new ATOM 0 HD3 ARG A 41 -6.174 7.397 2.579 1.00 13.30 H new ATOM 0 HE ARG A 41 -3.534 6.620 2.625 1.00 3.13 H new ATOM 0 HH11 ARG A 41 -6.172 5.809 0.380 1.00 73.12 H new ATOM 0 HH12 ARG A 41 -5.080 5.621 -0.996 1.00 73.12 H new ATOM 0 HH21 ARG A 41 -2.182 6.435 0.819 1.00 24.51 H new ATOM 0 HH22 ARG A 41 -2.846 5.972 -0.751 1.00 24.51 H new ATOM 693 N LEU A 42 -5.531 2.360 6.488 1.00 51.10 N ATOM 694 CA LEU A 42 -5.488 0.898 6.642 1.00 32.54 C ATOM 695 C LEU A 42 -5.511 0.242 5.255 1.00 4.45 C ATOM 696 O LEU A 42 -6.452 0.448 4.490 1.00 62.41 O ATOM 697 CB LEU A 42 -6.715 0.423 7.469 1.00 32.23 C ATOM 698 CG LEU A 42 -6.904 -1.128 7.609 1.00 53.44 C ATOM 699 CD1 LEU A 42 -5.727 -1.783 8.351 1.00 32.14 C ATOM 700 CD2 LEU A 42 -8.250 -1.463 8.276 1.00 12.14 C ATOM 0 H LEU A 42 -6.481 2.730 6.447 1.00 51.10 H new ATOM 0 HA LEU A 42 -4.575 0.612 7.164 1.00 32.54 H new ATOM 0 HB2 LEU A 42 -6.639 0.849 8.469 1.00 32.23 H new ATOM 0 HB3 LEU A 42 -7.615 0.837 7.014 1.00 32.23 H new ATOM 0 HG LEU A 42 -6.918 -1.548 6.603 1.00 53.44 H new ATOM 0 HD11 LEU A 42 -5.897 -2.857 8.427 1.00 32.14 H new ATOM 0 HD12 LEU A 42 -4.803 -1.600 7.802 1.00 32.14 H new ATOM 0 HD13 LEU A 42 -5.645 -1.357 9.351 1.00 32.14 H new ATOM 0 HD21 LEU A 42 -8.355 -2.545 8.361 1.00 12.14 H new ATOM 0 HD22 LEU A 42 -8.285 -1.016 9.270 1.00 12.14 H new ATOM 0 HD23 LEU A 42 -9.065 -1.066 7.671 1.00 12.14 H new ATOM 712 N VAL A 43 -4.473 -0.541 4.935 1.00 4.23 N ATOM 713 CA VAL A 43 -4.386 -1.273 3.660 1.00 3.03 C ATOM 714 C VAL A 43 -4.785 -2.746 3.869 1.00 0.32 C ATOM 715 O VAL A 43 -4.386 -3.370 4.859 1.00 60.32 O ATOM 716 CB VAL A 43 -2.939 -1.205 3.047 1.00 4.21 C ATOM 717 CG1 VAL A 43 -2.906 -1.841 1.637 1.00 3.21 C ATOM 718 CG2 VAL A 43 -2.416 0.250 3.021 1.00 32.35 C ATOM 0 H VAL A 43 -3.671 -0.686 5.549 1.00 4.23 H new ATOM 0 HA VAL A 43 -5.074 -0.797 2.961 1.00 3.03 H new ATOM 0 HB VAL A 43 -2.273 -1.783 3.687 1.00 4.21 H new ATOM 0 HG11 VAL A 43 -1.895 -1.782 1.235 1.00 3.21 H new ATOM 0 HG12 VAL A 43 -3.210 -2.886 1.702 1.00 3.21 H new ATOM 0 HG13 VAL A 43 -3.590 -1.304 0.980 1.00 3.21 H new ATOM 0 HG21 VAL A 43 -1.414 0.269 2.593 1.00 32.35 H new ATOM 0 HG22 VAL A 43 -3.081 0.865 2.415 1.00 32.35 H new ATOM 0 HG23 VAL A 43 -2.384 0.643 4.037 1.00 32.35 H new ATOM 728 N LEU A 44 -5.577 -3.276 2.926 1.00 13.01 N ATOM 729 CA LEU A 44 -6.036 -4.672 2.904 1.00 62.10 C ATOM 730 C LEU A 44 -5.782 -5.227 1.493 1.00 61.04 C ATOM 731 O LEU A 44 -6.308 -4.681 0.523 1.00 1.15 O ATOM 732 CB LEU A 44 -7.563 -4.742 3.222 1.00 3.34 C ATOM 733 CG LEU A 44 -8.022 -4.161 4.596 1.00 52.44 C ATOM 734 CD1 LEU A 44 -9.558 -4.193 4.717 1.00 74.02 C ATOM 735 CD2 LEU A 44 -7.358 -4.902 5.776 1.00 53.44 C ATOM 0 H LEU A 44 -5.925 -2.731 2.137 1.00 13.01 H new ATOM 0 HA LEU A 44 -5.500 -5.255 3.653 1.00 62.10 H new ATOM 0 HB2 LEU A 44 -8.099 -4.214 2.433 1.00 3.34 H new ATOM 0 HB3 LEU A 44 -7.873 -5.786 3.174 1.00 3.34 H new ATOM 0 HG LEU A 44 -7.698 -3.121 4.640 1.00 52.44 H new ATOM 0 HD11 LEU A 44 -9.856 -3.783 5.682 1.00 74.02 H new ATOM 0 HD12 LEU A 44 -9.998 -3.596 3.918 1.00 74.02 H new ATOM 0 HD13 LEU A 44 -9.908 -5.222 4.636 1.00 74.02 H new ATOM 0 HD21 LEU A 44 -7.701 -4.470 6.716 1.00 53.44 H new ATOM 0 HD22 LEU A 44 -7.628 -5.957 5.741 1.00 53.44 H new ATOM 0 HD23 LEU A 44 -6.275 -4.802 5.705 1.00 53.44 H new ATOM 747 N TRP A 45 -4.974 -6.287 1.375 1.00 5.21 N ATOM 748 CA TRP A 45 -4.702 -6.945 0.080 1.00 55.15 C ATOM 749 C TRP A 45 -4.906 -8.453 0.223 1.00 11.12 C ATOM 750 O TRP A 45 -4.319 -9.071 1.106 1.00 70.31 O ATOM 751 CB TRP A 45 -3.256 -6.654 -0.397 1.00 32.14 C ATOM 752 CG TRP A 45 -2.908 -7.341 -1.709 1.00 74.13 C ATOM 753 CD1 TRP A 45 -3.424 -7.069 -2.942 1.00 23.13 C ATOM 754 CD2 TRP A 45 -1.994 -8.430 -1.903 1.00 63.43 C ATOM 755 NE1 TRP A 45 -2.872 -7.899 -3.877 1.00 30.32 N ATOM 756 CE2 TRP A 45 -1.994 -8.744 -3.268 1.00 53.41 C ATOM 757 CE3 TRP A 45 -1.174 -9.154 -1.048 1.00 52.41 C ATOM 758 CZ2 TRP A 45 -1.205 -9.759 -3.801 1.00 72.11 C ATOM 759 CZ3 TRP A 45 -0.389 -10.162 -1.569 1.00 10.32 C ATOM 760 CH2 TRP A 45 -0.407 -10.457 -2.937 1.00 55.24 C ATOM 0 H TRP A 45 -4.491 -6.715 2.165 1.00 5.21 H new ATOM 0 HA TRP A 45 -5.393 -6.548 -0.664 1.00 55.15 H new ATOM 0 HB2 TRP A 45 -3.128 -5.578 -0.513 1.00 32.14 H new ATOM 0 HB3 TRP A 45 -2.555 -6.977 0.372 1.00 32.14 H new ATOM 0 HD1 TRP A 45 -4.162 -6.308 -3.149 1.00 23.13 H new ATOM 0 HE1 TRP A 45 -3.084 -7.888 -4.875 1.00 30.32 H new ATOM 0 HE3 TRP A 45 -1.151 -8.932 0.009 1.00 52.41 H new ATOM 0 HZ2 TRP A 45 -1.222 -9.987 -4.857 1.00 72.11 H new ATOM 0 HZ3 TRP A 45 0.249 -10.732 -0.911 1.00 10.32 H new ATOM 0 HH2 TRP A 45 0.220 -11.250 -3.317 1.00 55.24 H new ATOM 771 N LYS A 46 -5.704 -9.045 -0.671 1.00 31.02 N ATOM 772 CA LYS A 46 -5.959 -10.486 -0.667 1.00 63.42 C ATOM 773 C LYS A 46 -4.831 -11.206 -1.430 1.00 5.30 C ATOM 774 O LYS A 46 -4.689 -11.043 -2.650 1.00 1.41 O ATOM 775 CB LYS A 46 -7.332 -10.804 -1.305 1.00 1.24 C ATOM 776 CG LYS A 46 -7.687 -12.316 -1.302 1.00 2.25 C ATOM 777 CD LYS A 46 -8.932 -12.648 -2.149 1.00 62.42 C ATOM 778 CE LYS A 46 -8.731 -12.342 -3.642 1.00 51.10 C ATOM 779 NZ LYS A 46 -9.911 -12.744 -4.452 1.00 5.34 N ATOM 0 H LYS A 46 -6.188 -8.541 -1.414 1.00 31.02 H new ATOM 0 HA LYS A 46 -5.981 -10.839 0.364 1.00 63.42 H new ATOM 0 HB2 LYS A 46 -8.107 -10.257 -0.769 1.00 1.24 H new ATOM 0 HB3 LYS A 46 -7.338 -10.440 -2.333 1.00 1.24 H new ATOM 0 HG2 LYS A 46 -6.836 -12.883 -1.680 1.00 2.25 H new ATOM 0 HG3 LYS A 46 -7.856 -12.641 -0.275 1.00 2.25 H new ATOM 0 HD2 LYS A 46 -9.178 -13.703 -2.028 1.00 62.42 H new ATOM 0 HD3 LYS A 46 -9.783 -12.078 -1.776 1.00 62.42 H new ATOM 0 HE2 LYS A 46 -8.547 -11.276 -3.773 1.00 51.10 H new ATOM 0 HE3 LYS A 46 -7.846 -12.865 -4.004 1.00 51.10 H new ATOM 0 HZ1 LYS A 46 -9.737 -12.522 -5.453 1.00 5.34 H new ATOM 0 HZ2 LYS A 46 -10.072 -13.766 -4.347 1.00 5.34 H new ATOM 0 HZ3 LYS A 46 -10.751 -12.226 -4.123 1.00 5.34 H new ATOM 793 N SER A 47 -4.014 -11.953 -0.685 1.00 33.43 N ATOM 794 CA SER A 47 -2.937 -12.790 -1.226 1.00 11.34 C ATOM 795 C SER A 47 -3.543 -14.096 -1.827 1.00 63.43 C ATOM 796 O SER A 47 -4.630 -14.508 -1.396 1.00 42.23 O ATOM 797 CB SER A 47 -1.935 -13.083 -0.074 1.00 51.41 C ATOM 798 OG SER A 47 -0.683 -13.512 -0.561 1.00 21.14 O ATOM 0 H SER A 47 -4.082 -11.995 0.332 1.00 33.43 H new ATOM 0 HA SER A 47 -2.405 -12.284 -2.032 1.00 11.34 H new ATOM 0 HB2 SER A 47 -1.801 -12.184 0.528 1.00 51.41 H new ATOM 0 HB3 SER A 47 -2.350 -13.848 0.582 1.00 51.41 H new ATOM 0 HG SER A 47 -0.017 -13.457 0.156 1.00 21.14 H new ATOM 804 N PRO A 48 -2.872 -14.760 -2.836 1.00 71.40 N ATOM 805 CA PRO A 48 -3.379 -16.024 -3.464 1.00 63.25 C ATOM 806 C PRO A 48 -3.482 -17.230 -2.498 1.00 30.43 C ATOM 807 O PRO A 48 -4.042 -18.263 -2.877 1.00 42.51 O ATOM 808 CB PRO A 48 -2.371 -16.289 -4.618 1.00 75.10 C ATOM 809 CG PRO A 48 -1.128 -15.562 -4.211 1.00 15.30 C ATOM 810 CD PRO A 48 -1.613 -14.317 -3.493 1.00 22.11 C ATOM 0 HA PRO A 48 -4.409 -15.905 -3.800 1.00 63.25 H new ATOM 0 HB2 PRO A 48 -2.183 -17.355 -4.743 1.00 75.10 H new ATOM 0 HB3 PRO A 48 -2.752 -15.919 -5.570 1.00 75.10 H new ATOM 0 HG2 PRO A 48 -0.508 -16.177 -3.558 1.00 15.30 H new ATOM 0 HG3 PRO A 48 -0.520 -15.305 -5.078 1.00 15.30 H new ATOM 0 HD2 PRO A 48 -0.883 -13.964 -2.764 1.00 22.11 H new ATOM 0 HD3 PRO A 48 -1.791 -13.497 -4.188 1.00 22.11 H new ATOM 818 N SER A 49 -2.951 -17.083 -1.266 1.00 24.30 N ATOM 819 CA SER A 49 -3.141 -18.068 -0.177 1.00 34.54 C ATOM 820 C SER A 49 -4.590 -18.051 0.355 1.00 13.05 C ATOM 821 O SER A 49 -5.019 -18.983 1.048 1.00 50.13 O ATOM 822 CB SER A 49 -2.150 -17.759 0.969 1.00 74.31 C ATOM 823 OG SER A 49 -2.271 -16.410 1.409 1.00 61.44 O ATOM 0 H SER A 49 -2.380 -16.282 -0.997 1.00 24.30 H new ATOM 0 HA SER A 49 -2.948 -19.064 -0.575 1.00 34.54 H new ATOM 0 HB2 SER A 49 -2.335 -18.434 1.804 1.00 74.31 H new ATOM 0 HB3 SER A 49 -1.130 -17.943 0.630 1.00 74.31 H new ATOM 0 HG SER A 49 -1.634 -16.244 2.135 1.00 61.44 H new ATOM 829 N GLY A 50 -5.332 -16.976 0.005 1.00 43.15 N ATOM 830 CA GLY A 50 -6.689 -16.735 0.489 1.00 42.12 C ATOM 831 C GLY A 50 -6.723 -15.761 1.660 1.00 42.43 C ATOM 832 O GLY A 50 -7.796 -15.306 2.055 1.00 31.44 O ATOM 0 H GLY A 50 -4.993 -16.251 -0.628 1.00 43.15 H new ATOM 0 HA2 GLY A 50 -7.298 -16.342 -0.325 1.00 42.12 H new ATOM 0 HA3 GLY A 50 -7.137 -17.681 0.794 1.00 42.12 H new ATOM 836 N LYS A 51 -5.537 -15.442 2.216 1.00 61.24 N ATOM 837 CA LYS A 51 -5.398 -14.580 3.396 1.00 40.31 C ATOM 838 C LYS A 51 -5.268 -13.112 2.983 1.00 23.52 C ATOM 839 O LYS A 51 -4.479 -12.784 2.091 1.00 2.31 O ATOM 840 CB LYS A 51 -4.163 -15.012 4.226 1.00 74.45 C ATOM 841 CG LYS A 51 -4.298 -16.409 4.859 1.00 73.30 C ATOM 842 CD LYS A 51 -3.067 -16.788 5.711 1.00 62.05 C ATOM 843 CE LYS A 51 -3.264 -18.088 6.505 1.00 23.42 C ATOM 844 NZ LYS A 51 -2.086 -18.403 7.354 1.00 11.02 N ATOM 0 H LYS A 51 -4.646 -15.780 1.853 1.00 61.24 H new ATOM 0 HA LYS A 51 -6.294 -14.686 4.008 1.00 40.31 H new ATOM 0 HB2 LYS A 51 -3.282 -14.998 3.584 1.00 74.45 H new ATOM 0 HB3 LYS A 51 -3.994 -14.280 5.016 1.00 74.45 H new ATOM 0 HG2 LYS A 51 -5.192 -16.438 5.483 1.00 73.30 H new ATOM 0 HG3 LYS A 51 -4.434 -17.150 4.072 1.00 73.30 H new ATOM 0 HD2 LYS A 51 -2.200 -16.895 5.059 1.00 62.05 H new ATOM 0 HD3 LYS A 51 -2.847 -15.975 6.404 1.00 62.05 H new ATOM 0 HE2 LYS A 51 -4.151 -17.999 7.133 1.00 23.42 H new ATOM 0 HE3 LYS A 51 -3.444 -18.912 5.814 1.00 23.42 H new ATOM 0 HZ1 LYS A 51 -2.259 -19.287 7.873 1.00 11.02 H new ATOM 0 HZ2 LYS A 51 -1.244 -18.513 6.753 1.00 11.02 H new ATOM 0 HZ3 LYS A 51 -1.929 -17.629 8.031 1.00 11.02 H new ATOM 858 N ILE A 52 -6.044 -12.241 3.642 1.00 54.25 N ATOM 859 CA ILE A 52 -5.965 -10.797 3.449 1.00 41.52 C ATOM 860 C ILE A 52 -4.815 -10.239 4.311 1.00 10.15 C ATOM 861 O ILE A 52 -4.908 -10.187 5.548 1.00 43.33 O ATOM 862 CB ILE A 52 -7.328 -10.082 3.799 1.00 23.14 C ATOM 863 CG1 ILE A 52 -8.493 -10.689 2.944 1.00 35.10 C ATOM 864 CG2 ILE A 52 -7.219 -8.543 3.596 1.00 2.11 C ATOM 865 CD1 ILE A 52 -9.869 -10.108 3.234 1.00 24.20 C ATOM 0 H ILE A 52 -6.746 -12.525 4.326 1.00 54.25 H new ATOM 0 HA ILE A 52 -5.767 -10.595 2.396 1.00 41.52 H new ATOM 0 HB ILE A 52 -7.551 -10.256 4.852 1.00 23.14 H new ATOM 0 HG12 ILE A 52 -8.266 -10.539 1.888 1.00 35.10 H new ATOM 0 HG13 ILE A 52 -8.526 -11.765 3.113 1.00 35.10 H new ATOM 0 HG21 ILE A 52 -8.172 -8.075 3.844 1.00 2.11 H new ATOM 0 HG22 ILE A 52 -6.439 -8.145 4.245 1.00 2.11 H new ATOM 0 HG23 ILE A 52 -6.970 -8.330 2.556 1.00 2.11 H new ATOM 0 HD11 ILE A 52 -10.609 -10.589 2.595 1.00 24.20 H new ATOM 0 HD12 ILE A 52 -10.124 -10.282 4.279 1.00 24.20 H new ATOM 0 HD13 ILE A 52 -9.861 -9.036 3.036 1.00 24.20 H new ATOM 877 N LEU A 53 -3.716 -9.871 3.643 1.00 44.24 N ATOM 878 CA LEU A 53 -2.569 -9.231 4.282 1.00 1.45 C ATOM 879 C LEU A 53 -2.937 -7.781 4.615 1.00 62.32 C ATOM 880 O LEU A 53 -3.260 -6.997 3.721 1.00 65.31 O ATOM 881 CB LEU A 53 -1.325 -9.281 3.351 1.00 74.34 C ATOM 882 CG LEU A 53 -0.960 -10.684 2.762 1.00 50.13 C ATOM 883 CD1 LEU A 53 0.436 -10.669 2.101 1.00 13.54 C ATOM 884 CD2 LEU A 53 -1.080 -11.805 3.818 1.00 1.14 C ATOM 0 H LEU A 53 -3.600 -10.011 2.639 1.00 44.24 H new ATOM 0 HA LEU A 53 -2.317 -9.764 5.199 1.00 1.45 H new ATOM 0 HB2 LEU A 53 -1.490 -8.593 2.522 1.00 74.34 H new ATOM 0 HB3 LEU A 53 -0.465 -8.909 3.908 1.00 74.34 H new ATOM 0 HG LEU A 53 -1.690 -10.906 1.984 1.00 50.13 H new ATOM 0 HD11 LEU A 53 0.660 -11.658 1.702 1.00 13.54 H new ATOM 0 HD12 LEU A 53 0.447 -9.940 1.291 1.00 13.54 H new ATOM 0 HD13 LEU A 53 1.187 -10.399 2.843 1.00 13.54 H new ATOM 0 HD21 LEU A 53 -0.817 -12.761 3.365 1.00 1.14 H new ATOM 0 HD22 LEU A 53 -0.403 -11.598 4.647 1.00 1.14 H new ATOM 0 HD23 LEU A 53 -2.104 -11.848 4.188 1.00 1.14 H new ATOM 896 N LYS A 54 -2.924 -7.452 5.906 1.00 1.14 N ATOM 897 CA LYS A 54 -3.291 -6.118 6.395 1.00 41.44 C ATOM 898 C LYS A 54 -2.047 -5.372 6.903 1.00 31.11 C ATOM 899 O LYS A 54 -1.100 -5.985 7.427 1.00 43.14 O ATOM 900 CB LYS A 54 -4.379 -6.236 7.494 1.00 55.51 C ATOM 901 CG LYS A 54 -3.999 -7.116 8.701 1.00 34.14 C ATOM 902 CD LYS A 54 -5.175 -7.350 9.676 1.00 34.34 C ATOM 903 CE LYS A 54 -5.715 -6.048 10.293 1.00 15.43 C ATOM 904 NZ LYS A 54 -4.700 -5.368 11.130 1.00 52.44 N ATOM 0 H LYS A 54 -2.659 -8.102 6.646 1.00 1.14 H new ATOM 0 HA LYS A 54 -3.708 -5.536 5.573 1.00 41.44 H new ATOM 0 HB2 LYS A 54 -4.618 -5.236 7.855 1.00 55.51 H new ATOM 0 HB3 LYS A 54 -5.286 -6.638 7.043 1.00 55.51 H new ATOM 0 HG2 LYS A 54 -3.636 -8.079 8.341 1.00 34.14 H new ATOM 0 HG3 LYS A 54 -3.176 -6.647 9.240 1.00 34.14 H new ATOM 0 HD2 LYS A 54 -5.982 -7.857 9.147 1.00 34.34 H new ATOM 0 HD3 LYS A 54 -4.850 -8.016 10.475 1.00 34.34 H new ATOM 0 HE2 LYS A 54 -6.038 -5.376 9.497 1.00 15.43 H new ATOM 0 HE3 LYS A 54 -6.594 -6.271 10.898 1.00 15.43 H new ATOM 0 HZ1 LYS A 54 -5.125 -4.532 11.581 1.00 52.44 H new ATOM 0 HZ2 LYS A 54 -4.360 -6.022 11.864 1.00 52.44 H new ATOM 0 HZ3 LYS A 54 -3.901 -5.071 10.534 1.00 52.44 H new ATOM 918 N GLY A 55 -2.070 -4.053 6.715 1.00 21.43 N ATOM 919 CA GLY A 55 -0.985 -3.162 7.109 1.00 32.50 C ATOM 920 C GLY A 55 -1.467 -1.730 7.206 1.00 15.13 C ATOM 921 O GLY A 55 -2.674 -1.477 7.101 1.00 10.44 O ATOM 0 H GLY A 55 -2.855 -3.569 6.279 1.00 21.43 H new ATOM 0 HA2 GLY A 55 -0.580 -3.479 8.070 1.00 32.50 H new ATOM 0 HA3 GLY A 55 -0.174 -3.228 6.384 1.00 32.50 H new ATOM 925 N LYS A 56 -0.536 -0.785 7.393 1.00 11.52 N ATOM 926 CA LYS A 56 -0.879 0.636 7.574 1.00 2.50 C ATOM 927 C LYS A 56 0.194 1.541 6.973 1.00 3.42 C ATOM 928 O LYS A 56 1.392 1.324 7.197 1.00 14.20 O ATOM 929 CB LYS A 56 -1.073 0.950 9.077 1.00 55.15 C ATOM 930 CG LYS A 56 -1.375 2.437 9.391 1.00 74.03 C ATOM 931 CD LYS A 56 -1.806 2.667 10.852 1.00 25.45 C ATOM 932 CE LYS A 56 -3.131 1.957 11.185 1.00 73.11 C ATOM 933 NZ LYS A 56 -3.576 2.238 12.573 1.00 44.15 N ATOM 0 H LYS A 56 0.465 -0.978 7.423 1.00 11.52 H new ATOM 0 HA LYS A 56 -1.814 0.831 7.049 1.00 2.50 H new ATOM 0 HB2 LYS A 56 -1.890 0.338 9.460 1.00 55.15 H new ATOM 0 HB3 LYS A 56 -0.173 0.654 9.616 1.00 55.15 H new ATOM 0 HG2 LYS A 56 -0.488 3.035 9.181 1.00 74.03 H new ATOM 0 HG3 LYS A 56 -2.162 2.791 8.725 1.00 74.03 H new ATOM 0 HD2 LYS A 56 -1.024 2.307 11.521 1.00 25.45 H new ATOM 0 HD3 LYS A 56 -1.913 3.736 11.034 1.00 25.45 H new ATOM 0 HE2 LYS A 56 -3.901 2.279 10.485 1.00 73.11 H new ATOM 0 HE3 LYS A 56 -3.010 0.882 11.053 1.00 73.11 H new ATOM 0 HZ1 LYS A 56 -4.471 1.742 12.758 1.00 44.15 H new ATOM 0 HZ2 LYS A 56 -2.852 1.908 13.243 1.00 44.15 H new ATOM 0 HZ3 LYS A 56 -3.717 3.262 12.692 1.00 44.15 H new ATOM 947 N ILE A 57 -0.268 2.561 6.223 1.00 12.14 N ATOM 948 CA ILE A 57 0.581 3.598 5.627 1.00 22.14 C ATOM 949 C ILE A 57 1.185 4.464 6.740 1.00 32.15 C ATOM 950 O ILE A 57 0.486 5.241 7.390 1.00 54.51 O ATOM 951 CB ILE A 57 -0.241 4.475 4.608 1.00 20.12 C ATOM 952 CG1 ILE A 57 -0.820 3.564 3.483 1.00 33.34 C ATOM 953 CG2 ILE A 57 0.620 5.630 4.015 1.00 62.04 C ATOM 954 CD1 ILE A 57 -1.738 4.256 2.505 1.00 43.34 C ATOM 0 H ILE A 57 -1.259 2.685 6.014 1.00 12.14 H new ATOM 0 HA ILE A 57 1.390 3.124 5.071 1.00 22.14 H new ATOM 0 HB ILE A 57 -1.067 4.944 5.143 1.00 20.12 H new ATOM 0 HG12 ILE A 57 0.010 3.125 2.929 1.00 33.34 H new ATOM 0 HG13 ILE A 57 -1.364 2.741 3.947 1.00 33.34 H new ATOM 0 HG21 ILE A 57 0.018 6.212 3.317 1.00 62.04 H new ATOM 0 HG22 ILE A 57 0.967 6.276 4.821 1.00 62.04 H new ATOM 0 HG23 ILE A 57 1.479 5.211 3.491 1.00 62.04 H new ATOM 0 HD11 ILE A 57 -2.087 3.538 1.763 1.00 43.34 H new ATOM 0 HD12 ILE A 57 -2.593 4.670 3.039 1.00 43.34 H new ATOM 0 HD13 ILE A 57 -1.198 5.060 2.005 1.00 43.34 H new ATOM 966 N VAL A 58 2.481 4.274 6.977 1.00 14.20 N ATOM 967 CA VAL A 58 3.224 4.966 8.045 1.00 54.02 C ATOM 968 C VAL A 58 3.862 6.271 7.536 1.00 53.33 C ATOM 969 O VAL A 58 3.973 7.247 8.284 1.00 14.11 O ATOM 970 CB VAL A 58 4.320 4.019 8.657 1.00 35.25 C ATOM 971 CG1 VAL A 58 3.656 2.810 9.351 1.00 40.41 C ATOM 972 CG2 VAL A 58 5.329 3.548 7.577 1.00 54.13 C ATOM 0 H VAL A 58 3.056 3.631 6.432 1.00 14.20 H new ATOM 0 HA VAL A 58 2.511 5.229 8.827 1.00 54.02 H new ATOM 0 HB VAL A 58 4.878 4.586 9.402 1.00 35.25 H new ATOM 0 HG11 VAL A 58 4.426 2.163 9.770 1.00 40.41 H new ATOM 0 HG12 VAL A 58 3.004 3.162 10.150 1.00 40.41 H new ATOM 0 HG13 VAL A 58 3.068 2.250 8.623 1.00 40.41 H new ATOM 0 HG21 VAL A 58 6.073 2.895 8.034 1.00 54.13 H new ATOM 0 HG22 VAL A 58 4.798 3.003 6.796 1.00 54.13 H new ATOM 0 HG23 VAL A 58 5.826 4.415 7.141 1.00 54.13 H new ATOM 982 N ARG A 59 4.248 6.291 6.250 1.00 1.33 N ATOM 983 CA ARG A 59 5.005 7.407 5.655 1.00 55.23 C ATOM 984 C ARG A 59 4.759 7.421 4.135 1.00 33.30 C ATOM 985 O ARG A 59 4.031 6.569 3.616 1.00 10.52 O ATOM 986 CB ARG A 59 6.526 7.249 6.002 1.00 31.44 C ATOM 987 CG ARG A 59 7.414 8.493 5.733 1.00 64.42 C ATOM 988 CD ARG A 59 8.850 8.322 6.257 1.00 71.30 C ATOM 989 NE ARG A 59 8.865 8.040 7.707 1.00 22.23 N ATOM 990 CZ ARG A 59 9.442 8.793 8.656 1.00 54.32 C ATOM 991 NH1 ARG A 59 10.090 9.917 8.350 1.00 11.25 N ATOM 992 NH2 ARG A 59 9.347 8.411 9.925 1.00 35.35 N ATOM 0 H ARG A 59 4.045 5.537 5.594 1.00 1.33 H new ATOM 0 HA ARG A 59 4.671 8.361 6.062 1.00 55.23 H new ATOM 0 HB2 ARG A 59 6.613 6.985 7.056 1.00 31.44 H new ATOM 0 HB3 ARG A 59 6.925 6.411 5.430 1.00 31.44 H new ATOM 0 HG2 ARG A 59 7.444 8.688 4.661 1.00 64.42 H new ATOM 0 HG3 ARG A 59 6.961 9.366 6.204 1.00 64.42 H new ATOM 0 HD2 ARG A 59 9.340 7.509 5.722 1.00 71.30 H new ATOM 0 HD3 ARG A 59 9.423 9.227 6.055 1.00 71.30 H new ATOM 0 HE ARG A 59 8.391 7.191 8.017 1.00 22.23 H new ATOM 0 HH11 ARG A 59 10.155 10.220 7.378 1.00 11.25 H new ATOM 0 HH12 ARG A 59 10.521 10.474 9.088 1.00 11.25 H new ATOM 0 HH21 ARG A 59 8.842 7.558 10.164 1.00 35.35 H new ATOM 0 HH22 ARG A 59 9.779 8.971 10.660 1.00 35.35 H new ATOM 1006 N VAL A 60 5.316 8.426 3.445 1.00 40.44 N ATOM 1007 CA VAL A 60 5.358 8.471 1.974 1.00 71.13 C ATOM 1008 C VAL A 60 6.680 7.845 1.488 1.00 14.21 C ATOM 1009 O VAL A 60 7.587 7.559 2.290 1.00 62.21 O ATOM 1010 CB VAL A 60 5.230 9.951 1.438 1.00 24.34 C ATOM 1011 CG1 VAL A 60 3.909 10.593 1.899 1.00 74.33 C ATOM 1012 CG2 VAL A 60 6.426 10.825 1.875 1.00 1.53 C ATOM 0 H VAL A 60 5.752 9.233 3.891 1.00 40.44 H new ATOM 0 HA VAL A 60 4.512 7.905 1.584 1.00 71.13 H new ATOM 0 HB VAL A 60 5.233 9.897 0.349 1.00 24.34 H new ATOM 0 HG11 VAL A 60 3.846 11.612 1.516 1.00 74.33 H new ATOM 0 HG12 VAL A 60 3.069 10.010 1.520 1.00 74.33 H new ATOM 0 HG13 VAL A 60 3.874 10.612 2.988 1.00 74.33 H new ATOM 0 HG21 VAL A 60 6.300 11.835 1.486 1.00 1.53 H new ATOM 0 HG22 VAL A 60 6.474 10.859 2.963 1.00 1.53 H new ATOM 0 HG23 VAL A 60 7.350 10.399 1.484 1.00 1.53 H new ATOM 1022 N HIS A 61 6.769 7.629 0.177 1.00 60.34 N ATOM 1023 CA HIS A 61 7.964 7.084 -0.477 1.00 22.43 C ATOM 1024 C HIS A 61 8.227 7.897 -1.755 1.00 54.42 C ATOM 1025 O HIS A 61 7.531 7.733 -2.766 1.00 13.32 O ATOM 1026 CB HIS A 61 7.765 5.573 -0.787 1.00 10.41 C ATOM 1027 CG HIS A 61 8.965 4.904 -1.409 1.00 10.34 C ATOM 1028 ND1 HIS A 61 9.044 4.591 -2.749 1.00 11.02 N ATOM 1029 CD2 HIS A 61 10.131 4.474 -0.863 1.00 23.54 C ATOM 1030 CE1 HIS A 61 10.195 4.000 -2.995 1.00 34.33 C ATOM 1031 NE2 HIS A 61 10.872 3.919 -1.871 1.00 72.31 N ATOM 0 H HIS A 61 6.007 7.829 -0.471 1.00 60.34 H new ATOM 0 HA HIS A 61 8.830 7.164 0.180 1.00 22.43 H new ATOM 0 HB2 HIS A 61 7.513 5.054 0.138 1.00 10.41 H new ATOM 0 HB3 HIS A 61 6.913 5.461 -1.457 1.00 10.41 H new ATOM 0 HD2 HIS A 61 10.420 4.555 0.174 1.00 23.54 H new ATOM 0 HE1 HIS A 61 10.527 3.642 -3.958 1.00 34.33 H new ATOM 0 HE2 HIS A 61 11.800 3.509 -1.767 1.00 72.31 H new ATOM 1040 N GLY A 62 9.229 8.793 -1.680 1.00 4.30 N ATOM 1041 CA GLY A 62 9.581 9.687 -2.784 1.00 10.31 C ATOM 1042 C GLY A 62 8.565 10.807 -3.000 1.00 1.33 C ATOM 1043 O GLY A 62 7.916 11.256 -2.045 1.00 22.14 O ATOM 0 H GLY A 62 9.812 8.912 -0.852 1.00 4.30 H new ATOM 0 HA2 GLY A 62 10.560 10.126 -2.589 1.00 10.31 H new ATOM 0 HA3 GLY A 62 9.670 9.104 -3.701 1.00 10.31 H new ATOM 1047 N THR A 63 8.420 11.244 -4.265 1.00 33.43 N ATOM 1048 CA THR A 63 7.622 12.432 -4.630 1.00 12.24 C ATOM 1049 C THR A 63 6.438 12.075 -5.554 1.00 52.03 C ATOM 1050 O THR A 63 5.499 12.861 -5.697 1.00 70.30 O ATOM 1051 CB THR A 63 8.526 13.513 -5.329 1.00 4.11 C ATOM 1052 OG1 THR A 63 9.893 13.349 -4.905 1.00 50.53 O ATOM 1053 CG2 THR A 63 8.086 14.951 -5.001 1.00 54.54 C ATOM 0 H THR A 63 8.853 10.783 -5.065 1.00 33.43 H new ATOM 0 HA THR A 63 7.217 12.838 -3.703 1.00 12.24 H new ATOM 0 HB THR A 63 8.426 13.363 -6.404 1.00 4.11 H new ATOM 0 HG1 THR A 63 10.454 14.022 -5.343 1.00 50.53 H new ATOM 0 HG21 THR A 63 8.743 15.657 -5.509 1.00 54.54 H new ATOM 0 HG22 THR A 63 7.060 15.103 -5.337 1.00 54.54 H new ATOM 0 HG23 THR A 63 8.142 15.112 -3.924 1.00 54.54 H new ATOM 1061 N LYS A 64 6.493 10.880 -6.179 1.00 10.32 N ATOM 1062 CA LYS A 64 5.511 10.445 -7.199 1.00 30.01 C ATOM 1063 C LYS A 64 4.314 9.686 -6.574 1.00 45.10 C ATOM 1064 O LYS A 64 3.649 8.892 -7.253 1.00 31.13 O ATOM 1065 CB LYS A 64 6.204 9.591 -8.309 1.00 44.24 C ATOM 1066 CG LYS A 64 7.210 10.363 -9.219 1.00 34.31 C ATOM 1067 CD LYS A 64 8.632 10.544 -8.598 1.00 25.40 C ATOM 1068 CE LYS A 64 9.619 9.412 -8.966 1.00 61.13 C ATOM 1069 NZ LYS A 64 9.133 8.053 -8.599 1.00 45.41 N ATOM 0 H LYS A 64 7.219 10.188 -5.992 1.00 10.32 H new ATOM 0 HA LYS A 64 5.107 11.345 -7.662 1.00 30.01 H new ATOM 0 HB2 LYS A 64 6.732 8.766 -7.832 1.00 44.24 H new ATOM 0 HB3 LYS A 64 5.432 9.152 -8.941 1.00 44.24 H new ATOM 0 HG2 LYS A 64 7.305 9.833 -10.167 1.00 34.31 H new ATOM 0 HG3 LYS A 64 6.797 11.346 -9.444 1.00 34.31 H new ATOM 0 HD2 LYS A 64 9.045 11.497 -8.930 1.00 25.40 H new ATOM 0 HD3 LYS A 64 8.541 10.597 -7.513 1.00 25.40 H new ATOM 0 HE2 LYS A 64 9.810 9.443 -10.039 1.00 61.13 H new ATOM 0 HE3 LYS A 64 10.571 9.595 -8.467 1.00 61.13 H new ATOM 0 HZ1 LYS A 64 9.843 7.344 -8.874 1.00 45.41 H new ATOM 0 HZ2 LYS A 64 8.977 8.006 -7.572 1.00 45.41 H new ATOM 0 HZ3 LYS A 64 8.240 7.858 -9.095 1.00 45.41 H new ATOM 1083 N GLY A 65 4.034 9.965 -5.287 1.00 0.13 N ATOM 1084 CA GLY A 65 2.789 9.531 -4.641 1.00 73.41 C ATOM 1085 C GLY A 65 2.751 8.072 -4.243 1.00 61.14 C ATOM 1086 O GLY A 65 1.664 7.518 -4.022 1.00 53.52 O ATOM 0 H GLY A 65 4.658 10.491 -4.675 1.00 0.13 H new ATOM 0 HA2 GLY A 65 2.628 10.139 -3.751 1.00 73.41 H new ATOM 0 HA3 GLY A 65 1.958 9.729 -5.318 1.00 73.41 H new ATOM 1090 N ALA A 66 3.926 7.442 -4.165 1.00 61.31 N ATOM 1091 CA ALA A 66 4.042 6.092 -3.626 1.00 14.01 C ATOM 1092 C ALA A 66 3.926 6.164 -2.099 1.00 4.12 C ATOM 1093 O ALA A 66 4.595 6.986 -1.469 1.00 45.42 O ATOM 1094 CB ALA A 66 5.360 5.447 -4.055 1.00 21.32 C ATOM 0 H ALA A 66 4.810 7.849 -4.470 1.00 61.31 H new ATOM 0 HA ALA A 66 3.240 5.467 -4.018 1.00 14.01 H new ATOM 0 HB1 ALA A 66 5.424 4.441 -3.641 1.00 21.32 H new ATOM 0 HB2 ALA A 66 5.403 5.395 -5.143 1.00 21.32 H new ATOM 0 HB3 ALA A 66 6.194 6.045 -3.687 1.00 21.32 H new ATOM 1100 N VAL A 67 3.059 5.325 -1.519 1.00 14.01 N ATOM 1101 CA VAL A 67 2.820 5.303 -0.067 1.00 20.35 C ATOM 1102 C VAL A 67 3.556 4.110 0.569 1.00 11.01 C ATOM 1103 O VAL A 67 3.600 3.008 0.000 1.00 43.32 O ATOM 1104 CB VAL A 67 1.276 5.267 0.271 1.00 65.00 C ATOM 1105 CG1 VAL A 67 0.585 6.592 -0.122 1.00 2.45 C ATOM 1106 CG2 VAL A 67 0.559 4.074 -0.404 1.00 25.45 C ATOM 0 H VAL A 67 2.505 4.644 -2.038 1.00 14.01 H new ATOM 0 HA VAL A 67 3.216 6.226 0.357 1.00 20.35 H new ATOM 0 HB VAL A 67 1.197 5.137 1.350 1.00 65.00 H new ATOM 0 HG11 VAL A 67 -0.476 6.536 0.123 1.00 2.45 H new ATOM 0 HG12 VAL A 67 1.041 7.417 0.426 1.00 2.45 H new ATOM 0 HG13 VAL A 67 0.702 6.760 -1.193 1.00 2.45 H new ATOM 0 HG21 VAL A 67 -0.499 4.091 -0.143 1.00 25.45 H new ATOM 0 HG22 VAL A 67 0.667 4.149 -1.486 1.00 25.45 H new ATOM 0 HG23 VAL A 67 1.003 3.140 -0.059 1.00 25.45 H new ATOM 1116 N ARG A 68 4.147 4.356 1.743 1.00 44.11 N ATOM 1117 CA ARG A 68 4.954 3.378 2.478 1.00 21.42 C ATOM 1118 C ARG A 68 4.091 2.759 3.585 1.00 11.44 C ATOM 1119 O ARG A 68 3.796 3.415 4.587 1.00 12.12 O ATOM 1120 CB ARG A 68 6.211 4.080 3.076 1.00 65.14 C ATOM 1121 CG ARG A 68 7.214 3.120 3.737 1.00 32.42 C ATOM 1122 CD ARG A 68 8.420 3.827 4.390 1.00 34.45 C ATOM 1123 NE ARG A 68 9.498 2.859 4.663 1.00 73.44 N ATOM 1124 CZ ARG A 68 10.095 2.634 5.836 1.00 21.21 C ATOM 1125 NH1 ARG A 68 9.756 3.307 6.923 1.00 74.23 N ATOM 1126 NH2 ARG A 68 11.035 1.711 5.908 1.00 53.21 N ATOM 0 H ARG A 68 4.076 5.256 2.217 1.00 44.11 H new ATOM 0 HA ARG A 68 5.294 2.587 1.809 1.00 21.42 H new ATOM 0 HB2 ARG A 68 6.719 4.629 2.283 1.00 65.14 H new ATOM 0 HB3 ARG A 68 5.887 4.814 3.814 1.00 65.14 H new ATOM 0 HG2 ARG A 68 6.695 2.534 4.495 1.00 32.42 H new ATOM 0 HG3 ARG A 68 7.579 2.419 2.987 1.00 32.42 H new ATOM 0 HD2 ARG A 68 8.788 4.614 3.732 1.00 34.45 H new ATOM 0 HD3 ARG A 68 8.110 4.306 5.318 1.00 34.45 H new ATOM 0 HE ARG A 68 9.822 2.302 3.872 1.00 73.44 H new ATOM 0 HH11 ARG A 68 9.024 4.016 6.876 1.00 74.23 H new ATOM 0 HH12 ARG A 68 10.227 3.117 7.808 1.00 74.23 H new ATOM 0 HH21 ARG A 68 11.295 1.182 5.076 1.00 53.21 H new ATOM 0 HH22 ARG A 68 11.501 1.526 6.796 1.00 53.21 H new ATOM 1140 N ALA A 69 3.664 1.510 3.378 1.00 24.12 N ATOM 1141 CA ALA A 69 2.778 0.786 4.298 1.00 12.45 C ATOM 1142 C ALA A 69 3.507 -0.400 4.935 1.00 12.31 C ATOM 1143 O ALA A 69 3.987 -1.283 4.225 1.00 70.35 O ATOM 1144 CB ALA A 69 1.522 0.320 3.547 1.00 11.14 C ATOM 0 H ALA A 69 3.927 0.965 2.557 1.00 24.12 H new ATOM 0 HA ALA A 69 2.477 1.458 5.102 1.00 12.45 H new ATOM 0 HB1 ALA A 69 0.866 -0.217 4.233 1.00 11.14 H new ATOM 0 HB2 ALA A 69 0.996 1.186 3.145 1.00 11.14 H new ATOM 0 HB3 ALA A 69 1.811 -0.340 2.729 1.00 11.14 H new ATOM 1150 N ARG A 70 3.588 -0.424 6.281 1.00 5.14 N ATOM 1151 CA ARG A 70 4.170 -1.562 7.011 1.00 60.34 C ATOM 1152 C ARG A 70 3.064 -2.580 7.311 1.00 25.13 C ATOM 1153 O ARG A 70 2.132 -2.289 8.065 1.00 35.33 O ATOM 1154 CB ARG A 70 4.851 -1.134 8.339 1.00 51.44 C ATOM 1155 CG ARG A 70 5.968 -0.084 8.196 1.00 63.30 C ATOM 1156 CD ARG A 70 6.750 0.105 9.510 1.00 3.01 C ATOM 1157 NE ARG A 70 5.859 0.330 10.676 1.00 32.14 N ATOM 1158 CZ ARG A 70 6.094 -0.096 11.936 1.00 13.23 C ATOM 1159 NH1 ARG A 70 7.196 -0.779 12.236 1.00 11.22 N ATOM 1160 NH2 ARG A 70 5.201 0.146 12.887 1.00 1.32 N ATOM 0 H ARG A 70 3.258 0.332 6.881 1.00 5.14 H new ATOM 0 HA ARG A 70 4.942 -2.000 6.379 1.00 60.34 H new ATOM 0 HB2 ARG A 70 4.087 -0.739 9.009 1.00 51.44 H new ATOM 0 HB3 ARG A 70 5.267 -2.021 8.817 1.00 51.44 H new ATOM 0 HG2 ARG A 70 6.654 -0.389 7.406 1.00 63.30 H new ATOM 0 HG3 ARG A 70 5.534 0.868 7.891 1.00 63.30 H new ATOM 0 HD2 ARG A 70 7.366 -0.776 9.692 1.00 3.01 H new ATOM 0 HD3 ARG A 70 7.428 0.952 9.407 1.00 3.01 H new ATOM 0 HE ARG A 70 4.997 0.850 10.512 1.00 32.14 H new ATOM 0 HH11 ARG A 70 7.880 -0.989 11.509 1.00 11.22 H new ATOM 0 HH12 ARG A 70 7.357 -1.093 13.193 1.00 11.22 H new ATOM 0 HH21 ARG A 70 4.343 0.651 12.665 1.00 1.32 H new ATOM 0 HH22 ARG A 70 5.372 -0.173 13.841 1.00 1.32 H new ATOM 1174 N PHE A 71 3.162 -3.751 6.686 1.00 53.20 N ATOM 1175 CA PHE A 71 2.267 -4.888 6.916 1.00 25.13 C ATOM 1176 C PHE A 71 2.699 -5.661 8.166 1.00 51.21 C ATOM 1177 O PHE A 71 3.884 -5.878 8.378 1.00 12.22 O ATOM 1178 CB PHE A 71 2.236 -5.789 5.648 1.00 35.11 C ATOM 1179 CG PHE A 71 1.340 -5.221 4.543 1.00 63.45 C ATOM 1180 CD1 PHE A 71 1.571 -3.951 4.009 1.00 72.52 C ATOM 1181 CD2 PHE A 71 0.255 -5.949 4.057 1.00 54.32 C ATOM 1182 CE1 PHE A 71 0.746 -3.434 3.032 1.00 62.51 C ATOM 1183 CE2 PHE A 71 -0.562 -5.429 3.078 1.00 42.44 C ATOM 1184 CZ PHE A 71 -0.319 -4.176 2.567 1.00 72.43 C ATOM 0 H PHE A 71 3.882 -3.942 5.989 1.00 53.20 H new ATOM 0 HA PHE A 71 1.253 -4.531 7.097 1.00 25.13 H new ATOM 0 HB2 PHE A 71 3.250 -5.905 5.265 1.00 35.11 H new ATOM 0 HB3 PHE A 71 1.883 -6.783 5.922 1.00 35.11 H new ATOM 0 HD1 PHE A 71 2.406 -3.367 4.366 1.00 72.52 H new ATOM 0 HD2 PHE A 71 0.053 -6.933 4.453 1.00 54.32 H new ATOM 0 HE1 PHE A 71 0.934 -2.449 2.632 1.00 62.51 H new ATOM 0 HE2 PHE A 71 -1.397 -6.008 2.710 1.00 42.44 H new ATOM 0 HZ PHE A 71 -0.963 -3.772 1.800 1.00 72.43 H new ATOM 1194 N GLU A 72 1.712 -6.031 8.998 1.00 23.24 N ATOM 1195 CA GLU A 72 1.940 -6.800 10.241 1.00 4.04 C ATOM 1196 C GLU A 72 2.075 -8.302 9.940 1.00 53.14 C ATOM 1197 O GLU A 72 2.688 -9.044 10.709 1.00 70.13 O ATOM 1198 CB GLU A 72 0.766 -6.553 11.223 1.00 10.33 C ATOM 1199 CG GLU A 72 -0.619 -6.975 10.673 1.00 2.42 C ATOM 1200 CD GLU A 72 -1.777 -6.723 11.639 1.00 63.21 C ATOM 1201 OE1 GLU A 72 -2.010 -5.552 11.993 1.00 51.55 O ATOM 1202 OE2 GLU A 72 -2.467 -7.688 12.042 1.00 60.01 O ATOM 0 H GLU A 72 0.731 -5.807 8.831 1.00 23.24 H new ATOM 0 HA GLU A 72 2.871 -6.463 10.696 1.00 4.04 H new ATOM 0 HB2 GLU A 72 0.959 -7.098 12.147 1.00 10.33 H new ATOM 0 HB3 GLU A 72 0.736 -5.494 11.478 1.00 10.33 H new ATOM 0 HG2 GLU A 72 -0.810 -6.435 9.745 1.00 2.42 H new ATOM 0 HG3 GLU A 72 -0.591 -8.036 10.424 1.00 2.42 H new ATOM 1209 N LYS A 73 1.478 -8.722 8.809 1.00 64.35 N ATOM 1210 CA LYS A 73 1.468 -10.124 8.372 1.00 23.13 C ATOM 1211 C LYS A 73 2.829 -10.485 7.762 1.00 0.53 C ATOM 1212 O LYS A 73 3.477 -11.443 8.194 1.00 4.32 O ATOM 1213 CB LYS A 73 0.320 -10.353 7.346 1.00 55.01 C ATOM 1214 CG LYS A 73 -1.092 -10.013 7.879 1.00 3.34 C ATOM 1215 CD LYS A 73 -1.494 -10.876 9.102 1.00 21.02 C ATOM 1216 CE LYS A 73 -2.896 -10.544 9.633 1.00 40.32 C ATOM 1217 NZ LYS A 73 -3.234 -11.343 10.841 1.00 70.43 N ATOM 0 H LYS A 73 0.988 -8.093 8.173 1.00 64.35 H new ATOM 0 HA LYS A 73 1.291 -10.772 9.231 1.00 23.13 H new ATOM 0 HB2 LYS A 73 0.516 -9.749 6.460 1.00 55.01 H new ATOM 0 HB3 LYS A 73 0.334 -11.396 7.030 1.00 55.01 H new ATOM 0 HG2 LYS A 73 -1.127 -8.959 8.156 1.00 3.34 H new ATOM 0 HG3 LYS A 73 -1.821 -10.158 7.082 1.00 3.34 H new ATOM 0 HD2 LYS A 73 -1.456 -11.930 8.825 1.00 21.02 H new ATOM 0 HD3 LYS A 73 -0.765 -10.729 9.899 1.00 21.02 H new ATOM 0 HE2 LYS A 73 -2.952 -9.482 9.873 1.00 40.32 H new ATOM 0 HE3 LYS A 73 -3.634 -10.734 8.854 1.00 40.32 H new ATOM 0 HZ1 LYS A 73 -4.188 -11.090 11.169 1.00 70.43 H new ATOM 0 HZ2 LYS A 73 -3.206 -12.356 10.606 1.00 70.43 H new ATOM 0 HZ3 LYS A 73 -2.545 -11.143 11.594 1.00 70.43 H new ATOM 1231 N GLY A 74 3.243 -9.684 6.756 1.00 32.23 N ATOM 1232 CA GLY A 74 4.515 -9.884 6.053 1.00 1.12 C ATOM 1233 C GLY A 74 4.631 -11.225 5.337 1.00 44.13 C ATOM 1234 O GLY A 74 5.740 -11.710 5.109 1.00 71.03 O ATOM 0 H GLY A 74 2.704 -8.888 6.415 1.00 32.23 H new ATOM 0 HA2 GLY A 74 4.644 -9.084 5.324 1.00 1.12 H new ATOM 0 HA3 GLY A 74 5.331 -9.796 6.770 1.00 1.12 H new ATOM 1238 N LEU A 75 3.475 -11.803 4.982 1.00 70.53 N ATOM 1239 CA LEU A 75 3.380 -13.120 4.339 1.00 13.13 C ATOM 1240 C LEU A 75 3.736 -13.026 2.836 1.00 73.43 C ATOM 1241 O LEU A 75 3.674 -11.929 2.261 1.00 55.12 O ATOM 1242 CB LEU A 75 1.944 -13.692 4.538 1.00 22.25 C ATOM 1243 CG LEU A 75 1.505 -13.945 6.016 1.00 11.23 C ATOM 1244 CD1 LEU A 75 0.072 -14.515 6.088 1.00 23.13 C ATOM 1245 CD2 LEU A 75 2.508 -14.865 6.748 1.00 50.10 C ATOM 0 H LEU A 75 2.568 -11.363 5.136 1.00 70.53 H new ATOM 0 HA LEU A 75 4.098 -13.796 4.804 1.00 13.13 H new ATOM 0 HB2 LEU A 75 1.234 -13.002 4.082 1.00 22.25 H new ATOM 0 HB3 LEU A 75 1.870 -14.633 3.992 1.00 22.25 H new ATOM 0 HG LEU A 75 1.503 -12.982 6.527 1.00 11.23 H new ATOM 0 HD11 LEU A 75 -0.202 -14.679 7.130 1.00 23.13 H new ATOM 0 HD12 LEU A 75 -0.624 -13.808 5.637 1.00 23.13 H new ATOM 0 HD13 LEU A 75 0.029 -15.461 5.548 1.00 23.13 H new ATOM 0 HD21 LEU A 75 2.175 -15.022 7.774 1.00 50.10 H new ATOM 0 HD22 LEU A 75 2.564 -15.824 6.233 1.00 50.10 H new ATOM 0 HD23 LEU A 75 3.493 -14.398 6.754 1.00 50.10 H new ATOM 1257 N PRO A 76 4.137 -14.173 2.187 1.00 72.53 N ATOM 1258 CA PRO A 76 4.413 -14.223 0.724 1.00 21.24 C ATOM 1259 C PRO A 76 3.204 -13.761 -0.130 1.00 61.03 C ATOM 1260 O PRO A 76 2.046 -13.898 0.286 1.00 73.13 O ATOM 1261 CB PRO A 76 4.741 -15.728 0.470 1.00 54.42 C ATOM 1262 CG PRO A 76 4.175 -16.451 1.659 1.00 25.12 C ATOM 1263 CD PRO A 76 4.378 -15.503 2.817 1.00 5.41 C ATOM 0 HA PRO A 76 5.219 -13.548 0.437 1.00 21.24 H new ATOM 0 HB2 PRO A 76 4.290 -16.080 -0.458 1.00 54.42 H new ATOM 0 HB3 PRO A 76 5.816 -15.889 0.384 1.00 54.42 H new ATOM 0 HG2 PRO A 76 3.119 -16.682 1.516 1.00 25.12 H new ATOM 0 HG3 PRO A 76 4.688 -17.398 1.828 1.00 25.12 H new ATOM 0 HD2 PRO A 76 3.680 -15.700 3.631 1.00 5.41 H new ATOM 0 HD3 PRO A 76 5.382 -15.579 3.233 1.00 5.41 H new ATOM 1271 N GLY A 77 3.502 -13.197 -1.314 1.00 32.13 N ATOM 1272 CA GLY A 77 2.485 -12.703 -2.243 1.00 53.23 C ATOM 1273 C GLY A 77 2.561 -13.385 -3.606 1.00 73.12 C ATOM 1274 O GLY A 77 1.693 -14.187 -3.943 1.00 13.43 O ATOM 0 H GLY A 77 4.458 -13.073 -1.649 1.00 32.13 H new ATOM 0 HA2 GLY A 77 1.496 -12.864 -1.814 1.00 53.23 H new ATOM 0 HA3 GLY A 77 2.606 -11.627 -2.371 1.00 53.23 H new ATOM 1278 N GLN A 78 3.612 -13.045 -4.389 1.00 3.44 N ATOM 1279 CA GLN A 78 3.846 -13.499 -5.801 1.00 65.25 C ATOM 1280 C GLN A 78 2.942 -12.765 -6.819 1.00 31.13 C ATOM 1281 O GLN A 78 3.400 -12.376 -7.902 1.00 72.03 O ATOM 1282 CB GLN A 78 3.722 -15.044 -5.989 1.00 53.03 C ATOM 1283 CG GLN A 78 4.013 -15.524 -7.432 1.00 43.13 C ATOM 1284 CD GLN A 78 3.817 -17.022 -7.665 1.00 10.43 C ATOM 1285 OE1 GLN A 78 2.985 -17.661 -7.025 1.00 75.02 O ATOM 1286 NE2 GLN A 78 4.578 -17.590 -8.584 1.00 13.41 N ATOM 0 H GLN A 78 4.351 -12.427 -4.054 1.00 3.44 H new ATOM 0 HA GLN A 78 4.882 -13.230 -6.006 1.00 65.25 H new ATOM 0 HB2 GLN A 78 4.411 -15.540 -5.305 1.00 53.03 H new ATOM 0 HB3 GLN A 78 2.716 -15.355 -5.709 1.00 53.03 H new ATOM 0 HG2 GLN A 78 3.367 -14.977 -8.118 1.00 43.13 H new ATOM 0 HG3 GLN A 78 5.041 -15.263 -7.686 1.00 43.13 H new ATOM 0 HE21 GLN A 78 5.259 -17.032 -9.098 1.00 13.41 H new ATOM 0 HE22 GLN A 78 4.484 -18.587 -8.779 1.00 13.41 H new ATOM 1295 N ALA A 79 1.672 -12.548 -6.453 1.00 2.33 N ATOM 1296 CA ALA A 79 0.671 -11.858 -7.297 1.00 44.15 C ATOM 1297 C ALA A 79 0.877 -10.316 -7.332 1.00 43.33 C ATOM 1298 O ALA A 79 -0.089 -9.567 -7.486 1.00 10.34 O ATOM 1299 CB ALA A 79 -0.733 -12.224 -6.796 1.00 3.02 C ATOM 0 H ALA A 79 1.300 -12.848 -5.552 1.00 2.33 H new ATOM 0 HA ALA A 79 0.796 -12.195 -8.326 1.00 44.15 H new ATOM 0 HB1 ALA A 79 -1.481 -11.722 -7.410 1.00 3.02 H new ATOM 0 HB2 ALA A 79 -0.874 -13.303 -6.863 1.00 3.02 H new ATOM 0 HB3 ALA A 79 -0.843 -11.908 -5.759 1.00 3.02 H new ATOM 1305 N LEU A 80 2.142 -9.865 -7.190 1.00 62.51 N ATOM 1306 CA LEU A 80 2.514 -8.440 -7.151 1.00 31.32 C ATOM 1307 C LEU A 80 2.079 -7.725 -8.453 1.00 42.50 C ATOM 1308 O LEU A 80 2.051 -8.332 -9.526 1.00 14.34 O ATOM 1309 CB LEU A 80 4.057 -8.300 -6.924 1.00 42.14 C ATOM 1310 CG LEU A 80 4.705 -9.228 -5.833 1.00 40.42 C ATOM 1311 CD1 LEU A 80 6.207 -8.918 -5.652 1.00 2.04 C ATOM 1312 CD2 LEU A 80 3.958 -9.145 -4.482 1.00 72.25 C ATOM 0 H LEU A 80 2.942 -10.491 -7.098 1.00 62.51 H new ATOM 0 HA LEU A 80 1.995 -7.962 -6.320 1.00 31.32 H new ATOM 0 HB2 LEU A 80 4.558 -8.492 -7.873 1.00 42.14 H new ATOM 0 HB3 LEU A 80 4.267 -7.265 -6.656 1.00 42.14 H new ATOM 0 HG LEU A 80 4.611 -10.252 -6.193 1.00 40.42 H new ATOM 0 HD11 LEU A 80 6.625 -9.577 -4.891 1.00 2.04 H new ATOM 0 HD12 LEU A 80 6.728 -9.078 -6.596 1.00 2.04 H new ATOM 0 HD13 LEU A 80 6.329 -7.880 -5.341 1.00 2.04 H new ATOM 0 HD21 LEU A 80 4.440 -9.802 -3.759 1.00 72.25 H new ATOM 0 HD22 LEU A 80 3.984 -8.119 -4.114 1.00 72.25 H new ATOM 0 HD23 LEU A 80 2.922 -9.455 -4.619 1.00 72.25 H new ATOM 1324 N GLY A 81 1.762 -6.435 -8.348 1.00 73.51 N ATOM 1325 CA GLY A 81 1.121 -5.686 -9.436 1.00 23.13 C ATOM 1326 C GLY A 81 -0.405 -5.778 -9.409 1.00 64.13 C ATOM 1327 O GLY A 81 -1.074 -5.267 -10.315 1.00 24.01 O ATOM 0 H GLY A 81 1.940 -5.879 -7.512 1.00 73.51 H new ATOM 0 HA2 GLY A 81 1.417 -4.639 -9.372 1.00 23.13 H new ATOM 0 HA3 GLY A 81 1.485 -6.062 -10.392 1.00 23.13 H new ATOM 1331 N ASP A 82 -0.957 -6.444 -8.367 1.00 13.30 N ATOM 1332 CA ASP A 82 -2.418 -6.581 -8.158 1.00 71.13 C ATOM 1333 C ASP A 82 -2.965 -5.352 -7.404 1.00 73.33 C ATOM 1334 O ASP A 82 -2.187 -4.503 -6.949 1.00 54.41 O ATOM 1335 CB ASP A 82 -2.694 -7.917 -7.399 1.00 23.12 C ATOM 1336 CG ASP A 82 -4.184 -8.283 -7.240 1.00 52.11 C ATOM 1337 OD1 ASP A 82 -4.907 -8.312 -8.259 1.00 34.45 O ATOM 1338 OD2 ASP A 82 -4.647 -8.524 -6.101 1.00 14.54 O ATOM 0 H ASP A 82 -0.400 -6.902 -7.646 1.00 13.30 H new ATOM 0 HA ASP A 82 -2.939 -6.620 -9.115 1.00 71.13 H new ATOM 0 HB2 ASP A 82 -2.191 -8.727 -7.927 1.00 23.12 H new ATOM 0 HB3 ASP A 82 -2.244 -7.854 -6.408 1.00 23.12 H new ATOM 1343 N TYR A 83 -4.299 -5.227 -7.297 1.00 42.31 N ATOM 1344 CA TYR A 83 -4.943 -4.092 -6.626 1.00 22.24 C ATOM 1345 C TYR A 83 -5.225 -4.379 -5.144 1.00 1.15 C ATOM 1346 O TYR A 83 -5.741 -5.442 -4.778 1.00 1.01 O ATOM 1347 CB TYR A 83 -6.238 -3.690 -7.372 1.00 44.42 C ATOM 1348 CG TYR A 83 -5.958 -2.979 -8.706 1.00 71.15 C ATOM 1349 CD1 TYR A 83 -5.802 -3.690 -9.904 1.00 54.44 C ATOM 1350 CD2 TYR A 83 -5.817 -1.588 -8.758 1.00 73.10 C ATOM 1351 CE1 TYR A 83 -5.521 -3.035 -11.096 1.00 23.11 C ATOM 1352 CE2 TYR A 83 -5.543 -0.937 -9.943 1.00 63.43 C ATOM 1353 CZ TYR A 83 -5.393 -1.663 -11.109 1.00 32.00 C ATOM 1354 OH TYR A 83 -5.116 -1.006 -12.293 1.00 13.04 O ATOM 0 H TYR A 83 -4.957 -5.910 -7.673 1.00 42.31 H new ATOM 0 HA TYR A 83 -4.247 -3.254 -6.657 1.00 22.24 H new ATOM 0 HB2 TYR A 83 -6.836 -4.582 -7.559 1.00 44.42 H new ATOM 0 HB3 TYR A 83 -6.832 -3.036 -6.734 1.00 44.42 H new ATOM 0 HD1 TYR A 83 -5.902 -4.765 -9.900 1.00 54.44 H new ATOM 0 HD2 TYR A 83 -5.925 -1.012 -7.851 1.00 73.10 H new ATOM 0 HE1 TYR A 83 -5.403 -3.599 -12.010 1.00 23.11 H new ATOM 0 HE2 TYR A 83 -5.446 0.139 -9.959 1.00 63.43 H new ATOM 0 HH TYR A 83 -5.059 -0.042 -12.127 1.00 13.04 H new ATOM 1364 N VAL A 84 -4.863 -3.398 -4.312 1.00 72.32 N ATOM 1365 CA VAL A 84 -5.142 -3.379 -2.873 1.00 34.44 C ATOM 1366 C VAL A 84 -6.350 -2.466 -2.611 1.00 22.21 C ATOM 1367 O VAL A 84 -6.680 -1.607 -3.439 1.00 1.12 O ATOM 1368 CB VAL A 84 -3.893 -2.854 -2.045 1.00 44.25 C ATOM 1369 CG1 VAL A 84 -2.613 -3.629 -2.405 1.00 44.22 C ATOM 1370 CG2 VAL A 84 -3.652 -1.338 -2.221 1.00 63.31 C ATOM 0 H VAL A 84 -4.354 -2.573 -4.629 1.00 72.32 H new ATOM 0 HA VAL A 84 -5.355 -4.398 -2.549 1.00 34.44 H new ATOM 0 HB VAL A 84 -4.135 -3.031 -0.997 1.00 44.25 H new ATOM 0 HG11 VAL A 84 -1.778 -3.244 -1.820 1.00 44.22 H new ATOM 0 HG12 VAL A 84 -2.754 -4.687 -2.184 1.00 44.22 H new ATOM 0 HG13 VAL A 84 -2.400 -3.506 -3.467 1.00 44.22 H new ATOM 0 HG21 VAL A 84 -2.786 -1.036 -1.632 1.00 63.31 H new ATOM 0 HG22 VAL A 84 -3.470 -1.118 -3.273 1.00 63.31 H new ATOM 0 HG23 VAL A 84 -4.530 -0.788 -1.882 1.00 63.31 H new ATOM 1380 N GLU A 85 -6.990 -2.662 -1.463 1.00 24.13 N ATOM 1381 CA GLU A 85 -8.055 -1.783 -0.962 1.00 31.52 C ATOM 1382 C GLU A 85 -7.517 -1.007 0.241 1.00 65.32 C ATOM 1383 O GLU A 85 -7.301 -1.590 1.312 1.00 72.43 O ATOM 1384 CB GLU A 85 -9.274 -2.632 -0.535 1.00 33.42 C ATOM 1385 CG GLU A 85 -9.822 -3.548 -1.645 1.00 12.31 C ATOM 1386 CD GLU A 85 -10.863 -4.535 -1.111 1.00 11.23 C ATOM 1387 OE1 GLU A 85 -12.009 -4.114 -0.855 1.00 53.33 O ATOM 1388 OE2 GLU A 85 -10.534 -5.724 -0.916 1.00 2.44 O ATOM 0 H GLU A 85 -6.785 -3.445 -0.842 1.00 24.13 H new ATOM 0 HA GLU A 85 -8.367 -1.090 -1.743 1.00 31.52 H new ATOM 0 HB2 GLU A 85 -8.994 -3.245 0.322 1.00 33.42 H new ATOM 0 HB3 GLU A 85 -10.070 -1.965 -0.203 1.00 33.42 H new ATOM 0 HG2 GLU A 85 -10.269 -2.939 -2.430 1.00 12.31 H new ATOM 0 HG3 GLU A 85 -8.999 -4.099 -2.099 1.00 12.31 H new ATOM 1395 N ILE A 86 -7.292 0.296 0.065 1.00 43.30 N ATOM 1396 CA ILE A 86 -6.805 1.153 1.144 1.00 34.42 C ATOM 1397 C ILE A 86 -8.003 1.863 1.782 1.00 4.23 C ATOM 1398 O ILE A 86 -8.473 2.896 1.289 1.00 44.42 O ATOM 1399 CB ILE A 86 -5.749 2.209 0.660 1.00 2.50 C ATOM 1400 CG1 ILE A 86 -4.650 1.561 -0.239 1.00 75.42 C ATOM 1401 CG2 ILE A 86 -5.108 2.882 1.886 1.00 52.42 C ATOM 1402 CD1 ILE A 86 -3.684 2.558 -0.864 1.00 35.30 C ATOM 0 H ILE A 86 -7.441 0.782 -0.820 1.00 43.30 H new ATOM 0 HA ILE A 86 -6.295 0.520 1.870 1.00 34.42 H new ATOM 0 HB ILE A 86 -6.263 2.955 0.053 1.00 2.50 H new ATOM 0 HG12 ILE A 86 -4.082 0.848 0.359 1.00 75.42 H new ATOM 0 HG13 ILE A 86 -5.135 0.995 -1.034 1.00 75.42 H new ATOM 0 HG21 ILE A 86 -4.374 3.616 1.555 1.00 52.42 H new ATOM 0 HG22 ILE A 86 -5.880 3.380 2.473 1.00 52.42 H new ATOM 0 HG23 ILE A 86 -4.616 2.127 2.499 1.00 52.42 H new ATOM 0 HD11 ILE A 86 -2.954 2.025 -1.472 1.00 35.30 H new ATOM 0 HD12 ILE A 86 -4.238 3.257 -1.491 1.00 35.30 H new ATOM 0 HD13 ILE A 86 -3.168 3.108 -0.077 1.00 35.30 H new ATOM 1414 N VAL A 87 -8.503 1.272 2.859 1.00 63.32 N ATOM 1415 CA VAL A 87 -9.659 1.775 3.595 1.00 32.43 C ATOM 1416 C VAL A 87 -9.251 3.015 4.413 1.00 75.22 C ATOM 1417 O VAL A 87 -8.162 3.046 5.010 1.00 71.05 O ATOM 1418 CB VAL A 87 -10.216 0.649 4.538 1.00 24.25 C ATOM 1419 CG1 VAL A 87 -11.459 1.114 5.323 1.00 33.15 C ATOM 1420 CG2 VAL A 87 -10.512 -0.637 3.728 1.00 42.52 C ATOM 0 H VAL A 87 -8.112 0.416 3.253 1.00 63.32 H new ATOM 0 HA VAL A 87 -10.443 2.062 2.894 1.00 32.43 H new ATOM 0 HB VAL A 87 -9.445 0.424 5.275 1.00 24.25 H new ATOM 0 HG11 VAL A 87 -11.810 0.304 5.962 1.00 33.15 H new ATOM 0 HG12 VAL A 87 -11.199 1.975 5.939 1.00 33.15 H new ATOM 0 HG13 VAL A 87 -12.248 1.392 4.624 1.00 33.15 H new ATOM 0 HG21 VAL A 87 -10.897 -1.407 4.396 1.00 42.52 H new ATOM 0 HG22 VAL A 87 -11.253 -0.420 2.959 1.00 42.52 H new ATOM 0 HG23 VAL A 87 -9.594 -0.990 3.258 1.00 42.52 H new ATOM 1430 N LEU A 88 -10.113 4.050 4.392 1.00 15.23 N ATOM 1431 CA LEU A 88 -9.895 5.294 5.135 1.00 53.52 C ATOM 1432 C LEU A 88 -9.943 4.981 6.647 1.00 60.23 C ATOM 1433 O LEU A 88 -11.029 4.846 7.234 1.00 13.10 O ATOM 1434 CB LEU A 88 -10.957 6.359 4.688 1.00 24.31 C ATOM 1435 CG LEU A 88 -10.674 7.870 5.029 1.00 24.13 C ATOM 1436 CD1 LEU A 88 -10.885 8.210 6.527 1.00 4.02 C ATOM 1437 CD2 LEU A 88 -9.263 8.285 4.552 1.00 22.43 C ATOM 0 H LEU A 88 -10.981 4.041 3.856 1.00 15.23 H new ATOM 0 HA LEU A 88 -8.915 5.721 4.921 1.00 53.52 H new ATOM 0 HB2 LEU A 88 -11.079 6.277 3.608 1.00 24.31 H new ATOM 0 HB3 LEU A 88 -11.912 6.088 5.138 1.00 24.31 H new ATOM 0 HG LEU A 88 -11.414 8.455 4.482 1.00 24.13 H new ATOM 0 HD11 LEU A 88 -10.673 9.266 6.694 1.00 4.02 H new ATOM 0 HD12 LEU A 88 -11.917 7.998 6.806 1.00 4.02 H new ATOM 0 HD13 LEU A 88 -10.213 7.605 7.136 1.00 4.02 H new ATOM 0 HD21 LEU A 88 -9.089 9.333 4.798 1.00 22.43 H new ATOM 0 HD22 LEU A 88 -8.515 7.667 5.048 1.00 22.43 H new ATOM 0 HD23 LEU A 88 -9.189 8.149 3.473 1.00 22.43 H new