USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -4.22 K(o=-7.8,f=-8.5!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.53 K(o=-7.8,f=-16!) USER MOD Set 2.1: A 7 TYR OH : rot 37:sc= 0.338 USER MOD Set 2.2: A 37 MET CE :methyl -168:sc= -2.09 (180deg=-2.74!) USER MOD Set 2.3: A 65 MET CE :methyl 158:sc= -0.948 (180deg=-1.88!) USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.0044) USER MOD Single : A 1 MET N :NH3+ -155:sc= -4.22! (180deg=-5.97!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -40:sc= 0.696 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 12 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.031) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.49) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.04) USER MOD Single : A 25 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.3!) USER MOD Single : A 35 ASN : amide:sc= 0.0298 K(o=0.03,f=-7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 60 GLN : amide:sc= -0.561 K(o=-0.56,f=-2.5!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 70:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= -0.074 (180deg=-0.453) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.994 -0.163 -4.727 1.00 0.00 N ATOM 2 CA MET A 1 -10.607 -0.606 -5.043 1.00 0.00 C ATOM 3 C MET A 1 -9.559 0.122 -4.217 1.00 0.00 C ATOM 4 O MET A 1 -9.262 1.289 -4.456 1.00 0.00 O ATOM 5 CB MET A 1 -10.343 -0.358 -6.522 1.00 0.00 C ATOM 6 CG MET A 1 -8.986 -0.847 -6.998 1.00 0.00 C ATOM 7 SD MET A 1 -8.159 0.342 -8.072 1.00 0.00 S ATOM 8 CE MET A 1 -9.268 0.359 -9.478 1.00 0.00 C ATOM 0 H1 MET A 1 -12.663 -0.923 -4.963 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.065 0.059 -3.713 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.223 0.685 -5.284 1.00 0.00 H new ATOM 0 HA MET A 1 -10.530 -1.666 -4.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.120 -0.850 -7.107 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.423 0.711 -6.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.354 -1.052 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.110 -1.789 -7.532 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.872 1.024 -10.246 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.359 -0.649 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.250 0.713 -9.163 1.00 0.00 H new ATOM 20 N PHE A 2 -8.968 -0.588 -3.270 1.00 0.00 N ATOM 21 CA PHE A 2 -7.930 -0.011 -2.435 1.00 0.00 C ATOM 22 C PHE A 2 -6.600 -0.015 -3.173 1.00 0.00 C ATOM 23 O PHE A 2 -6.346 -0.886 -4.003 1.00 0.00 O ATOM 24 CB PHE A 2 -7.816 -0.784 -1.124 1.00 0.00 C ATOM 25 CG PHE A 2 -9.027 -0.635 -0.252 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.114 -1.477 -0.408 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.083 0.354 0.716 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.235 -1.339 0.386 1.00 0.00 C ATOM 29 CE2 PHE A 2 -10.201 0.498 1.514 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.280 -0.350 1.347 1.00 0.00 C ATOM 0 H PHE A 2 -9.189 -1.562 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.196 1.021 -2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.660 -1.840 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.937 -0.438 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.085 -2.252 -1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.243 1.020 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.076 -2.004 0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -10.232 1.272 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 2 -12.157 -0.238 1.968 1.00 0.00 H new ATOM 40 N LYS A 3 -5.758 0.965 -2.882 1.00 0.00 N ATOM 41 CA LYS A 3 -4.463 1.065 -3.533 1.00 0.00 C ATOM 42 C LYS A 3 -3.349 0.747 -2.549 1.00 0.00 C ATOM 43 O LYS A 3 -3.173 1.446 -1.554 1.00 0.00 O ATOM 44 CB LYS A 3 -4.272 2.469 -4.108 1.00 0.00 C ATOM 45 CG LYS A 3 -4.943 2.672 -5.457 1.00 0.00 C ATOM 46 CD LYS A 3 -6.295 3.352 -5.309 1.00 0.00 C ATOM 47 CE LYS A 3 -6.625 4.205 -6.523 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.374 5.651 -6.271 1.00 0.00 N ATOM 0 H LYS A 3 -5.949 1.700 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.425 0.341 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.668 3.199 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.205 2.669 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.299 3.275 -6.098 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.071 1.708 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.070 2.598 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.294 3.975 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.026 3.875 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.671 4.060 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.611 6.198 -7.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.964 5.973 -5.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.371 5.793 -6.036 1.00 0.00 H new ATOM 62 N VAL A 4 -2.602 -0.314 -2.819 1.00 0.00 N ATOM 63 CA VAL A 4 -1.511 -0.699 -1.937 1.00 0.00 C ATOM 64 C VAL A 4 -0.168 -0.281 -2.505 1.00 0.00 C ATOM 65 O VAL A 4 0.190 -0.639 -3.627 1.00 0.00 O ATOM 66 CB VAL A 4 -1.494 -2.216 -1.650 1.00 0.00 C ATOM 67 CG1 VAL A 4 -0.122 -2.666 -1.167 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.543 -2.567 -0.617 1.00 0.00 C ATOM 0 H VAL A 4 -2.729 -0.917 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.684 -0.176 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.719 -2.736 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.138 -3.738 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.623 -2.447 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.133 -2.135 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.520 -3.640 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.338 -2.028 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.528 -2.287 -0.989 1.00 0.00 H new ATOM 78 N TYR A 5 0.578 0.462 -1.705 1.00 0.00 N ATOM 79 CA TYR A 5 1.896 0.923 -2.096 1.00 0.00 C ATOM 80 C TYR A 5 2.953 0.061 -1.423 1.00 0.00 C ATOM 81 O TYR A 5 3.267 0.261 -0.253 1.00 0.00 O ATOM 82 CB TYR A 5 2.096 2.387 -1.693 1.00 0.00 C ATOM 83 CG TYR A 5 1.325 3.391 -2.526 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.138 3.052 -3.167 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.791 4.689 -2.663 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.556 3.980 -3.920 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.103 5.624 -3.414 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.070 5.264 -4.040 1.00 0.00 C ATOM 89 OH TYR A 5 -0.759 6.190 -4.790 1.00 0.00 O ATOM 0 H TYR A 5 0.289 0.760 -0.773 1.00 0.00 H new ATOM 0 HA TYR A 5 1.989 0.844 -3.179 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.805 2.504 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.158 2.624 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.247 2.047 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.710 4.976 -2.173 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.476 3.700 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.483 6.630 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.282 7.046 -4.771 1.00 0.00 H new ATOM 99 N GLY A 6 3.487 -0.907 -2.153 1.00 0.00 N ATOM 100 CA GLY A 6 4.489 -1.782 -1.584 1.00 0.00 C ATOM 101 C GLY A 6 5.271 -2.537 -2.639 1.00 0.00 C ATOM 102 O GLY A 6 5.674 -1.966 -3.654 1.00 0.00 O ATOM 0 H GLY A 6 3.245 -1.101 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.178 -1.193 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.006 -2.495 -0.916 1.00 0.00 H new ATOM 106 N TYR A 7 5.496 -3.822 -2.388 1.00 0.00 N ATOM 107 CA TYR A 7 6.240 -4.665 -3.299 1.00 0.00 C ATOM 108 C TYR A 7 5.438 -5.912 -3.667 1.00 0.00 C ATOM 109 O TYR A 7 4.665 -6.424 -2.858 1.00 0.00 O ATOM 110 CB TYR A 7 7.554 -5.053 -2.642 1.00 0.00 C ATOM 111 CG TYR A 7 8.392 -3.855 -2.274 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.111 -3.167 -3.241 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.445 -3.397 -0.964 1.00 0.00 C ATOM 114 CE1 TYR A 7 9.861 -2.059 -2.912 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.197 -2.290 -0.627 1.00 0.00 C ATOM 116 CZ TYR A 7 9.903 -1.624 -1.604 1.00 0.00 C ATOM 117 OH TYR A 7 10.649 -0.516 -1.273 1.00 0.00 O ATOM 0 H TYR A 7 5.167 -4.301 -1.550 1.00 0.00 H new ATOM 0 HA TYR A 7 6.436 -4.116 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.349 -5.638 -1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.119 -5.694 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.082 -3.505 -4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.889 -3.915 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.414 -1.533 -3.676 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.232 -1.948 0.397 1.00 0.00 H new ATOM 0 HH TYR A 7 10.588 0.146 -1.993 1.00 0.00 H new ATOM 127 N ASP A 8 5.620 -6.396 -4.892 1.00 0.00 N ATOM 128 CA ASP A 8 4.903 -7.580 -5.356 1.00 0.00 C ATOM 129 C ASP A 8 5.793 -8.820 -5.321 1.00 0.00 C ATOM 130 O ASP A 8 5.527 -9.803 -6.012 1.00 0.00 O ATOM 131 CB ASP A 8 4.376 -7.359 -6.774 1.00 0.00 C ATOM 132 CG ASP A 8 3.159 -8.211 -7.079 1.00 0.00 C ATOM 133 OD1 ASP A 8 2.911 -9.181 -6.331 1.00 0.00 O ATOM 134 OD2 ASP A 8 2.454 -7.909 -8.064 1.00 0.00 O ATOM 0 H ASP A 8 6.255 -5.989 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 8 4.063 -7.745 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 8 4.121 -6.307 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.165 -7.587 -7.491 1.00 0.00 H new ATOM 139 N SER A 9 6.849 -8.771 -4.512 1.00 0.00 N ATOM 140 CA SER A 9 7.775 -9.897 -4.389 1.00 0.00 C ATOM 141 C SER A 9 8.551 -10.131 -5.686 1.00 0.00 C ATOM 142 O SER A 9 9.253 -11.133 -5.822 1.00 0.00 O ATOM 143 CB SER A 9 7.018 -11.170 -4.002 1.00 0.00 C ATOM 144 OG SER A 9 7.916 -12.222 -3.694 1.00 0.00 O ATOM 0 H SER A 9 7.085 -7.966 -3.932 1.00 0.00 H new ATOM 0 HA SER A 9 8.491 -9.649 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.379 -10.970 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.365 -11.472 -4.821 1.00 0.00 H new ATOM 0 HG SER A 9 8.663 -12.211 -4.329 1.00 0.00 H new ATOM 150 N ASN A 10 8.428 -9.205 -6.636 1.00 0.00 N ATOM 151 CA ASN A 10 9.128 -9.325 -7.909 1.00 0.00 C ATOM 152 C ASN A 10 10.540 -8.760 -7.802 1.00 0.00 C ATOM 153 O ASN A 10 11.505 -9.384 -8.243 1.00 0.00 O ATOM 154 CB ASN A 10 8.354 -8.599 -9.011 1.00 0.00 C ATOM 155 CG ASN A 10 7.245 -9.452 -9.596 1.00 0.00 C ATOM 156 OD1 ASN A 10 6.515 -10.124 -8.868 1.00 0.00 O ATOM 157 ND2 ASN A 10 7.113 -9.428 -10.917 1.00 0.00 N ATOM 0 H ASN A 10 7.852 -8.368 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 10 9.196 -10.383 -8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.928 -7.681 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.043 -8.309 -9.804 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.384 -9.981 -11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.741 -8.856 -11.482 1.00 0.00 H new ATOM 164 N ILE A 11 10.651 -7.577 -7.206 1.00 0.00 N ATOM 165 CA ILE A 11 11.945 -6.924 -7.031 1.00 0.00 C ATOM 166 C ILE A 11 12.364 -6.929 -5.569 1.00 0.00 C ATOM 167 O ILE A 11 13.550 -7.000 -5.251 1.00 0.00 O ATOM 168 CB ILE A 11 11.924 -5.460 -7.510 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.179 -5.321 -8.840 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.346 -4.940 -7.640 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.675 -5.414 -8.707 1.00 0.00 C ATOM 0 H ILE A 11 9.860 -7.050 -6.836 1.00 0.00 H new ATOM 0 HA ILE A 11 12.654 -7.492 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 11 11.391 -4.864 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.436 -4.363 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.523 -6.098 -9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.325 -3.904 -7.979 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.843 -4.995 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.891 -5.547 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.216 -5.307 -9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.406 -6.382 -8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.318 -4.620 -8.051 1.00 0.00 H new ATOM 183 N HIS A 12 11.379 -6.834 -4.683 1.00 0.00 N ATOM 184 CA HIS A 12 11.637 -6.809 -3.257 1.00 0.00 C ATOM 185 C HIS A 12 10.607 -7.646 -2.510 1.00 0.00 C ATOM 186 O HIS A 12 9.481 -7.819 -2.972 1.00 0.00 O ATOM 187 CB HIS A 12 11.611 -5.365 -2.757 1.00 0.00 C ATOM 188 CG HIS A 12 12.333 -5.149 -1.466 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.613 -5.590 -1.221 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.933 -4.509 -0.339 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.945 -5.217 0.023 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.959 -4.557 0.602 1.00 0.00 N ATOM 0 H HIS A 12 10.392 -6.773 -4.933 1.00 0.00 H new ATOM 0 HA HIS A 12 12.622 -7.236 -3.069 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.051 -4.721 -3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.574 -5.053 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.972 -4.037 -0.194 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.895 -5.429 0.491 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.950 -4.164 1.543 1.00 0.00 H new ATOM 200 N LYS A 13 11.007 -8.172 -1.360 1.00 0.00 N ATOM 201 CA LYS A 13 10.121 -9.006 -0.554 1.00 0.00 C ATOM 202 C LYS A 13 9.139 -8.161 0.253 1.00 0.00 C ATOM 203 O LYS A 13 9.232 -6.934 0.280 1.00 0.00 O ATOM 204 CB LYS A 13 10.938 -9.900 0.384 1.00 0.00 C ATOM 205 CG LYS A 13 11.651 -9.137 1.491 1.00 0.00 C ATOM 206 CD LYS A 13 10.939 -9.292 2.828 1.00 0.00 C ATOM 207 CE LYS A 13 11.874 -9.836 3.897 1.00 0.00 C ATOM 208 NZ LYS A 13 12.863 -8.815 4.342 1.00 0.00 N ATOM 0 H LYS A 13 11.937 -8.037 -0.964 1.00 0.00 H new ATOM 0 HA LYS A 13 9.546 -9.633 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.276 -10.640 0.833 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.677 -10.447 -0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.676 -9.497 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.706 -8.081 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.544 -8.327 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.087 -9.962 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.290 -10.173 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.401 -10.707 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.481 -9.225 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.438 -8.512 3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.361 -7.994 4.736 1.00 0.00 H new ATOM 222 N CYS A 14 8.198 -8.834 0.910 1.00 0.00 N ATOM 223 CA CYS A 14 7.194 -8.157 1.723 1.00 0.00 C ATOM 224 C CYS A 14 6.320 -9.169 2.457 1.00 0.00 C ATOM 225 O CYS A 14 5.641 -9.984 1.834 1.00 0.00 O ATOM 226 CB CYS A 14 6.321 -7.249 0.850 1.00 0.00 C ATOM 227 SG CYS A 14 5.653 -8.063 -0.638 1.00 0.00 S ATOM 0 H CYS A 14 8.111 -9.850 0.894 1.00 0.00 H new ATOM 0 HA CYS A 14 7.713 -7.545 2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.491 -6.875 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.908 -6.383 0.544 1.00 0.00 H new ATOM 232 N VAL A 15 6.345 -9.113 3.784 1.00 0.00 N ATOM 233 CA VAL A 15 5.557 -10.028 4.604 1.00 0.00 C ATOM 234 C VAL A 15 4.176 -9.454 4.904 1.00 0.00 C ATOM 235 O VAL A 15 3.223 -10.198 5.140 1.00 0.00 O ATOM 236 CB VAL A 15 6.266 -10.336 5.936 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.503 -11.186 5.698 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.624 -9.049 6.663 1.00 0.00 C ATOM 0 H VAL A 15 6.902 -8.444 4.315 1.00 0.00 H new ATOM 0 HA VAL A 15 5.448 -10.949 4.031 1.00 0.00 H new ATOM 0 HB VAL A 15 5.581 -10.902 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.991 -11.393 6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.214 -12.125 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.193 -10.650 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.124 -9.288 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.289 -8.452 6.039 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.716 -8.483 6.870 1.00 0.00 H new ATOM 248 N TYR A 16 4.074 -8.129 4.895 1.00 0.00 N ATOM 249 CA TYR A 16 2.808 -7.458 5.172 1.00 0.00 C ATOM 250 C TYR A 16 1.968 -7.308 3.906 1.00 0.00 C ATOM 251 O TYR A 16 0.767 -7.047 3.977 1.00 0.00 O ATOM 252 CB TYR A 16 3.061 -6.087 5.799 1.00 0.00 C ATOM 253 CG TYR A 16 3.351 -6.148 7.281 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.366 -6.523 8.185 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.611 -5.836 7.776 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.625 -6.583 9.540 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.880 -5.894 9.131 1.00 0.00 C ATOM 258 CZ TYR A 16 3.884 -6.268 10.007 1.00 0.00 C ATOM 259 OH TYR A 16 4.148 -6.328 11.357 1.00 0.00 O ATOM 0 H TYR A 16 4.852 -7.499 4.699 1.00 0.00 H new ATOM 0 HA TYR A 16 2.250 -8.076 5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.901 -5.613 5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.190 -5.453 5.633 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.380 -6.772 7.822 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.393 -5.543 7.091 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.847 -6.875 10.230 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.864 -5.648 9.501 1.00 0.00 H new ATOM 0 HH TYR A 16 5.081 -6.077 11.519 1.00 0.00 H new ATOM 269 N CYS A 17 2.600 -7.470 2.746 1.00 0.00 N ATOM 270 CA CYS A 17 1.895 -7.352 1.477 1.00 0.00 C ATOM 271 C CYS A 17 0.989 -8.558 1.251 1.00 0.00 C ATOM 272 O CYS A 17 -0.147 -8.420 0.795 1.00 0.00 O ATOM 273 CB CYS A 17 2.894 -7.215 0.320 1.00 0.00 C ATOM 274 SG CYS A 17 3.830 -8.736 -0.049 1.00 0.00 S ATOM 0 H CYS A 17 3.594 -7.682 2.661 1.00 0.00 H new ATOM 0 HA CYS A 17 1.275 -6.456 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.354 -6.908 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.598 -6.417 0.556 1.00 0.00 H new ATOM 279 N ASP A 18 1.499 -9.740 1.580 1.00 0.00 N ATOM 280 CA ASP A 18 0.746 -10.977 1.416 1.00 0.00 C ATOM 281 C ASP A 18 -0.452 -11.024 2.360 1.00 0.00 C ATOM 282 O ASP A 18 -1.492 -11.593 2.029 1.00 0.00 O ATOM 283 CB ASP A 18 1.656 -12.180 1.675 1.00 0.00 C ATOM 284 CG ASP A 18 1.188 -13.425 0.949 1.00 0.00 C ATOM 285 OD1 ASP A 18 1.607 -13.629 -0.209 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.401 -14.195 1.538 1.00 0.00 O ATOM 0 H ASP A 18 2.436 -9.867 1.964 1.00 0.00 H new ATOM 0 HA ASP A 18 0.375 -11.013 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.671 -11.939 1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.694 -12.380 2.746 1.00 0.00 H new ATOM 291 N ASN A 19 -0.294 -10.432 3.539 1.00 0.00 N ATOM 292 CA ASN A 19 -1.360 -10.416 4.535 1.00 0.00 C ATOM 293 C ASN A 19 -2.477 -9.451 4.144 1.00 0.00 C ATOM 294 O ASN A 19 -3.648 -9.825 4.109 1.00 0.00 O ATOM 295 CB ASN A 19 -0.797 -10.031 5.904 1.00 0.00 C ATOM 296 CG ASN A 19 0.229 -11.027 6.408 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.094 -12.234 6.202 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.262 -10.526 7.075 1.00 0.00 N ATOM 0 H ASN A 19 0.561 -9.957 3.828 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.782 -11.420 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.340 -9.043 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.613 -9.960 6.623 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.984 -11.148 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.334 -9.519 7.223 1.00 0.00 H new ATOM 305 N ALA A 20 -2.108 -8.207 3.854 1.00 0.00 N ATOM 306 CA ALA A 20 -3.081 -7.188 3.474 1.00 0.00 C ATOM 307 C ALA A 20 -3.948 -7.654 2.309 1.00 0.00 C ATOM 308 O ALA A 20 -5.161 -7.449 2.306 1.00 0.00 O ATOM 309 CB ALA A 20 -2.373 -5.890 3.124 1.00 0.00 C ATOM 0 H ALA A 20 -1.142 -7.880 3.875 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.737 -7.014 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.110 -5.138 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.809 -5.539 3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.692 -6.060 2.290 1.00 0.00 H new ATOM 315 N LYS A 21 -3.321 -8.286 1.325 1.00 0.00 N ATOM 316 CA LYS A 21 -4.044 -8.782 0.159 1.00 0.00 C ATOM 317 C LYS A 21 -5.098 -9.805 0.571 1.00 0.00 C ATOM 318 O LYS A 21 -6.269 -9.683 0.212 1.00 0.00 O ATOM 319 CB LYS A 21 -3.071 -9.407 -0.843 1.00 0.00 C ATOM 320 CG LYS A 21 -3.744 -9.924 -2.103 1.00 0.00 C ATOM 321 CD LYS A 21 -3.078 -11.193 -2.611 1.00 0.00 C ATOM 322 CE LYS A 21 -1.658 -10.924 -3.083 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.633 -10.168 -4.365 1.00 0.00 N ATOM 0 H LYS A 21 -2.317 -8.467 1.310 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.547 -7.938 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.321 -8.666 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.543 -10.229 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.797 -10.121 -1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.707 -9.158 -2.877 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.064 -11.941 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.663 -11.609 -3.431 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.122 -10.361 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.132 -11.870 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.653 -10.093 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.208 -10.667 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.021 -9.215 -4.214 1.00 0.00 H new ATOM 337 N ARG A 22 -4.674 -10.813 1.329 1.00 0.00 N ATOM 338 CA ARG A 22 -5.583 -11.857 1.793 1.00 0.00 C ATOM 339 C ARG A 22 -6.723 -11.257 2.610 1.00 0.00 C ATOM 340 O ARG A 22 -7.855 -11.738 2.564 1.00 0.00 O ATOM 341 CB ARG A 22 -4.824 -12.887 2.632 1.00 0.00 C ATOM 342 CG ARG A 22 -5.420 -14.284 2.562 1.00 0.00 C ATOM 343 CD ARG A 22 -4.489 -15.319 3.173 1.00 0.00 C ATOM 344 NE ARG A 22 -4.517 -16.581 2.440 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.113 -17.744 2.946 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.647 -17.810 4.188 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.173 -18.845 2.209 1.00 0.00 N ATOM 0 H ARG A 22 -3.708 -10.929 1.635 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.006 -12.353 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.788 -12.925 2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.810 -12.558 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.376 -14.299 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.621 -14.543 1.523 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.471 -14.929 3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.774 -15.496 4.210 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.867 -16.571 1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.597 -16.967 4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.339 -18.704 4.570 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.529 -18.801 1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.863 -19.736 2.597 1.00 0.00 H new ATOM 361 N LEU A 23 -6.414 -10.198 3.352 1.00 0.00 N ATOM 362 CA LEU A 23 -7.408 -9.519 4.174 1.00 0.00 C ATOM 363 C LEU A 23 -8.549 -9.002 3.306 1.00 0.00 C ATOM 364 O LEU A 23 -9.715 -9.333 3.528 1.00 0.00 O ATOM 365 CB LEU A 23 -6.747 -8.361 4.937 1.00 0.00 C ATOM 366 CG LEU A 23 -7.699 -7.336 5.567 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.972 -6.531 6.631 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.271 -6.406 4.508 1.00 0.00 C ATOM 0 H LEU A 23 -5.480 -9.791 3.400 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.819 -10.228 4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.125 -8.782 5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.081 -7.835 4.253 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.524 -7.876 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.658 -5.807 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.605 -7.202 7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.131 -6.006 6.179 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.943 -5.688 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.458 -5.873 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.822 -6.990 3.771 1.00 0.00 H new ATOM 380 N LEU A 24 -8.199 -8.188 2.319 1.00 0.00 N ATOM 381 CA LEU A 24 -9.184 -7.616 1.412 1.00 0.00 C ATOM 382 C LEU A 24 -9.912 -8.713 0.646 1.00 0.00 C ATOM 383 O LEU A 24 -11.128 -8.646 0.453 1.00 0.00 O ATOM 384 CB LEU A 24 -8.503 -6.644 0.447 1.00 0.00 C ATOM 385 CG LEU A 24 -7.630 -5.587 1.126 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.903 -4.742 0.096 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.471 -4.705 2.032 1.00 0.00 C ATOM 0 H LEU A 24 -7.237 -7.909 2.126 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.922 -7.068 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.887 -7.214 -0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.269 -6.141 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.885 -6.102 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.289 -3.998 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.267 -5.382 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.631 -4.239 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.834 -3.959 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.239 -4.204 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.945 -5.318 2.799 1.00 0.00 H new ATOM 399 N THR A 25 -9.170 -9.733 0.226 1.00 0.00 N ATOM 400 CA THR A 25 -9.760 -10.850 -0.498 1.00 0.00 C ATOM 401 C THR A 25 -10.803 -11.535 0.376 1.00 0.00 C ATOM 402 O THR A 25 -11.837 -11.997 -0.109 1.00 0.00 O ATOM 403 CB THR A 25 -8.680 -11.851 -0.912 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.564 -11.181 -1.470 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.161 -12.865 -1.927 1.00 0.00 C ATOM 0 H THR A 25 -8.164 -9.808 0.374 1.00 0.00 H new ATOM 0 HA THR A 25 -10.241 -10.470 -1.400 1.00 0.00 H new ATOM 0 HB THR A 25 -8.408 -12.378 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.956 -10.906 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.346 -13.544 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.992 -13.433 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.492 -12.349 -2.828 1.00 0.00 H new ATOM 413 N VAL A 26 -10.523 -11.578 1.676 1.00 0.00 N ATOM 414 CA VAL A 26 -11.428 -12.184 2.643 1.00 0.00 C ATOM 415 C VAL A 26 -12.557 -11.219 2.995 1.00 0.00 C ATOM 416 O VAL A 26 -13.686 -11.634 3.257 1.00 0.00 O ATOM 417 CB VAL A 26 -10.674 -12.582 3.930 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.629 -13.148 4.972 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.573 -13.581 3.613 1.00 0.00 C ATOM 0 H VAL A 26 -9.670 -11.197 2.084 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.848 -13.081 2.189 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.218 -11.684 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.071 -13.420 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.378 -12.397 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.123 -14.033 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.051 -13.851 4.531 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.010 -14.475 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.867 -13.134 2.913 1.00 0.00 H new ATOM 429 N LYS A 27 -12.240 -9.927 2.994 1.00 0.00 N ATOM 430 CA LYS A 27 -13.221 -8.893 3.308 1.00 0.00 C ATOM 431 C LYS A 27 -14.231 -8.726 2.173 1.00 0.00 C ATOM 432 O LYS A 27 -15.238 -8.035 2.329 1.00 0.00 O ATOM 433 CB LYS A 27 -12.518 -7.562 3.579 1.00 0.00 C ATOM 434 CG LYS A 27 -11.867 -7.483 4.950 1.00 0.00 C ATOM 435 CD LYS A 27 -12.905 -7.418 6.058 1.00 0.00 C ATOM 436 CE LYS A 27 -12.457 -8.191 7.288 1.00 0.00 C ATOM 437 NZ LYS A 27 -13.589 -8.913 7.934 1.00 0.00 N ATOM 0 H LYS A 27 -11.309 -9.571 2.779 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.761 -9.204 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.757 -7.401 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.242 -6.753 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.227 -8.352 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.226 -6.603 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.087 -6.377 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.850 -7.823 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.684 -8.906 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.008 -7.504 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.242 -9.427 8.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.315 -8.229 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.001 -9.588 7.258 1.00 0.00 H new ATOM 451 N LYS A 28 -13.955 -9.358 1.032 1.00 0.00 N ATOM 452 CA LYS A 28 -14.838 -9.278 -0.129 1.00 0.00 C ATOM 453 C LYS A 28 -14.824 -7.878 -0.735 1.00 0.00 C ATOM 454 O LYS A 28 -15.862 -7.355 -1.142 1.00 0.00 O ATOM 455 CB LYS A 28 -16.269 -9.673 0.249 1.00 0.00 C ATOM 456 CG LYS A 28 -16.379 -11.071 0.836 1.00 0.00 C ATOM 457 CD LYS A 28 -16.680 -12.103 -0.240 1.00 0.00 C ATOM 458 CE LYS A 28 -15.413 -12.570 -0.939 1.00 0.00 C ATOM 459 NZ LYS A 28 -15.103 -13.995 -0.636 1.00 0.00 N ATOM 0 H LYS A 28 -13.124 -9.932 0.888 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.466 -9.979 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.657 -8.954 0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.901 -9.609 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.448 -11.330 1.340 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.166 -11.090 1.590 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.186 -12.959 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.364 -11.676 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.525 -12.444 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.576 -11.943 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.232 -14.274 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.970 -14.111 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.890 -14.597 -0.953 1.00 0.00 H new ATOM 473 N GLN A 29 -13.638 -7.283 -0.801 1.00 0.00 N ATOM 474 CA GLN A 29 -13.483 -5.949 -1.366 1.00 0.00 C ATOM 475 C GLN A 29 -12.392 -5.946 -2.434 1.00 0.00 C ATOM 476 O GLN A 29 -11.329 -6.537 -2.245 1.00 0.00 O ATOM 477 CB GLN A 29 -13.146 -4.937 -0.266 1.00 0.00 C ATOM 478 CG GLN A 29 -14.344 -4.129 0.207 1.00 0.00 C ATOM 479 CD GLN A 29 -15.211 -4.892 1.189 1.00 0.00 C ATOM 480 OE1 GLN A 29 -14.955 -4.888 2.393 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.245 -5.550 0.679 1.00 0.00 N ATOM 0 H GLN A 29 -12.770 -7.704 -0.470 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.427 -5.661 -1.829 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.717 -5.467 0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.381 -4.254 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.995 -3.209 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.946 -3.840 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.420 -5.526 -0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.865 -6.080 1.292 1.00 0.00 H new ATOM 490 N PRO A 30 -12.634 -5.277 -3.575 1.00 0.00 N ATOM 491 CA PRO A 30 -11.660 -5.204 -4.668 1.00 0.00 C ATOM 492 C PRO A 30 -10.571 -4.183 -4.388 1.00 0.00 C ATOM 493 O PRO A 30 -10.781 -3.244 -3.622 1.00 0.00 O ATOM 494 CB PRO A 30 -12.515 -4.744 -5.844 1.00 0.00 C ATOM 495 CG PRO A 30 -13.531 -3.866 -5.209 1.00 0.00 C ATOM 496 CD PRO A 30 -13.870 -4.531 -3.899 1.00 0.00 C ATOM 0 HA PRO A 30 -11.141 -6.148 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.924 -4.204 -6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.977 -5.586 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.138 -2.862 -5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.414 -3.767 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.115 -3.801 -3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.729 -5.195 -3.994 1.00 0.00 H new ATOM 504 N PHE A 31 -9.412 -4.361 -5.012 1.00 0.00 N ATOM 505 CA PHE A 31 -8.301 -3.437 -4.825 1.00 0.00 C ATOM 506 C PHE A 31 -7.276 -3.566 -5.949 1.00 0.00 C ATOM 507 O PHE A 31 -7.344 -4.488 -6.761 1.00 0.00 O ATOM 508 CB PHE A 31 -7.631 -3.673 -3.483 1.00 0.00 C ATOM 509 CG PHE A 31 -7.047 -5.040 -3.375 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.877 -6.135 -3.270 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.681 -5.231 -3.401 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.358 -7.407 -3.190 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.148 -6.501 -3.319 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.988 -7.594 -3.213 1.00 0.00 C ATOM 0 H PHE A 31 -9.218 -5.134 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.706 -2.425 -4.847 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.845 -2.932 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.359 -3.527 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.947 -5.993 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.023 -4.379 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.019 -8.257 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.077 -6.641 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.576 -8.590 -3.148 1.00 0.00 H new ATOM 524 N GLU A 32 -6.320 -2.642 -5.979 1.00 0.00 N ATOM 525 CA GLU A 32 -5.274 -2.657 -6.994 1.00 0.00 C ATOM 526 C GLU A 32 -3.903 -2.468 -6.355 1.00 0.00 C ATOM 527 O GLU A 32 -3.733 -1.638 -5.462 1.00 0.00 O ATOM 528 CB GLU A 32 -5.521 -1.560 -8.030 1.00 0.00 C ATOM 529 CG GLU A 32 -4.522 -1.569 -9.176 1.00 0.00 C ATOM 530 CD GLU A 32 -4.964 -2.450 -10.330 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.114 -2.936 -10.300 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.160 -2.652 -11.263 1.00 0.00 O ATOM 0 H GLU A 32 -6.249 -1.874 -5.312 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.297 -3.626 -7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.527 -1.674 -8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.485 -0.590 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.379 -0.550 -9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.556 -1.916 -8.808 1.00 0.00 H new ATOM 539 N PHE A 33 -2.928 -3.245 -6.814 1.00 0.00 N ATOM 540 CA PHE A 33 -1.579 -3.164 -6.284 1.00 0.00 C ATOM 541 C PHE A 33 -0.746 -2.137 -7.044 1.00 0.00 C ATOM 542 O PHE A 33 -1.053 -1.792 -8.186 1.00 0.00 O ATOM 543 CB PHE A 33 -0.901 -4.530 -6.357 1.00 0.00 C ATOM 544 CG PHE A 33 0.159 -4.711 -5.317 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.178 -4.749 -3.979 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.491 -4.826 -5.676 1.00 0.00 C ATOM 547 CE1 PHE A 33 0.794 -4.904 -3.010 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.470 -4.977 -4.713 1.00 0.00 C ATOM 549 CZ PHE A 33 2.120 -5.017 -3.376 1.00 0.00 C ATOM 0 H PHE A 33 -3.051 -3.938 -7.553 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.649 -2.847 -5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.654 -5.310 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.459 -4.658 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.213 -4.656 -3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.768 -4.797 -6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.517 -4.937 -1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.506 -5.064 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.882 -5.136 -2.620 1.00 0.00 H new ATOM 559 N ILE A 34 0.313 -1.658 -6.400 1.00 0.00 N ATOM 560 CA ILE A 34 1.206 -0.679 -7.003 1.00 0.00 C ATOM 561 C ILE A 34 2.629 -0.886 -6.514 1.00 0.00 C ATOM 562 O ILE A 34 2.900 -0.859 -5.313 1.00 0.00 O ATOM 563 CB ILE A 34 0.779 0.765 -6.692 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.724 0.933 -6.908 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.556 1.746 -7.556 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.262 2.256 -6.411 1.00 0.00 C ATOM 0 H ILE A 34 0.574 -1.935 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 34 1.153 -0.829 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 34 1.003 0.976 -5.646 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.943 0.838 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.248 0.123 -6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.242 2.764 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.622 1.641 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.361 1.538 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.335 2.306 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.075 2.346 -5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.765 3.071 -6.936 1.00 0.00 H new ATOM 578 N ASN A 35 3.527 -1.098 -7.456 1.00 0.00 N ATOM 579 CA ASN A 35 4.933 -1.321 -7.143 1.00 0.00 C ATOM 580 C ASN A 35 5.712 -0.012 -7.169 1.00 0.00 C ATOM 581 O ASN A 35 5.685 0.721 -8.157 1.00 0.00 O ATOM 582 CB ASN A 35 5.547 -2.312 -8.132 1.00 0.00 C ATOM 583 CG ASN A 35 6.810 -2.956 -7.596 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.852 -2.309 -7.484 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.724 -4.239 -7.260 1.00 0.00 N ATOM 0 H ASN A 35 3.310 -1.121 -8.452 1.00 0.00 H new ATOM 0 HA ASN A 35 4.992 -1.738 -6.137 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.818 -3.088 -8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.773 -1.797 -9.065 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.542 -4.726 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.840 -4.737 -7.369 1.00 0.00 H new ATOM 592 N ILE A 36 6.410 0.273 -6.074 1.00 0.00 N ATOM 593 CA ILE A 36 7.201 1.492 -5.971 1.00 0.00 C ATOM 594 C ILE A 36 8.644 1.262 -6.422 1.00 0.00 C ATOM 595 O ILE A 36 9.430 2.204 -6.516 1.00 0.00 O ATOM 596 CB ILE A 36 7.207 2.035 -4.529 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.797 0.999 -3.571 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.798 2.417 -4.104 1.00 0.00 C ATOM 599 CD1 ILE A 36 7.944 1.504 -2.153 1.00 0.00 C ATOM 0 H ILE A 36 6.443 -0.323 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 36 6.734 2.225 -6.629 1.00 0.00 H new ATOM 0 HB ILE A 36 7.832 2.928 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.161 0.114 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.774 0.689 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.817 2.799 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.412 3.187 -4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.153 1.539 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.368 0.717 -1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.604 2.371 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.966 1.788 -1.765 1.00 0.00 H new ATOM 611 N MET A 37 8.987 0.007 -6.702 1.00 0.00 N ATOM 612 CA MET A 37 10.331 -0.333 -7.139 1.00 0.00 C ATOM 613 C MET A 37 10.294 -1.144 -8.433 1.00 0.00 C ATOM 614 O MET A 37 10.362 -2.373 -8.408 1.00 0.00 O ATOM 615 CB MET A 37 11.061 -1.114 -6.043 1.00 0.00 C ATOM 616 CG MET A 37 12.450 -1.586 -6.441 1.00 0.00 C ATOM 617 SD MET A 37 13.765 -0.664 -5.621 1.00 0.00 S ATOM 618 CE MET A 37 13.447 -1.063 -3.904 1.00 0.00 C ATOM 0 H MET A 37 8.351 -0.788 -6.633 1.00 0.00 H new ATOM 0 HA MET A 37 10.872 0.593 -7.333 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.142 -0.486 -5.156 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.460 -1.980 -5.766 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.551 -2.645 -6.201 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.565 -1.491 -7.521 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.035 -0.407 -3.263 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.387 -0.926 -3.689 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.724 -2.100 -3.714 1.00 0.00 H new ATOM 628 N PRO A 38 10.174 -0.460 -9.584 1.00 0.00 N ATOM 629 CA PRO A 38 10.120 -1.105 -10.890 1.00 0.00 C ATOM 630 C PRO A 38 11.501 -1.287 -11.513 1.00 0.00 C ATOM 631 O PRO A 38 11.640 -1.336 -12.735 1.00 0.00 O ATOM 632 CB PRO A 38 9.292 -0.118 -11.703 1.00 0.00 C ATOM 633 CG PRO A 38 9.635 1.223 -11.138 1.00 0.00 C ATOM 634 CD PRO A 38 10.071 1.004 -9.705 1.00 0.00 C ATOM 0 HA PRO A 38 9.707 -2.112 -10.842 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.537 -0.175 -12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.226 -0.325 -11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.432 1.692 -11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.775 1.891 -11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.025 1.490 -9.499 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.347 1.413 -9.000 1.00 0.00 H new ATOM 642 N GLU A 39 12.519 -1.392 -10.665 1.00 0.00 N ATOM 643 CA GLU A 39 13.888 -1.571 -11.132 1.00 0.00 C ATOM 644 C GLU A 39 14.621 -2.579 -10.254 1.00 0.00 C ATOM 645 O GLU A 39 14.162 -2.911 -9.164 1.00 0.00 O ATOM 646 CB GLU A 39 14.630 -0.231 -11.129 1.00 0.00 C ATOM 647 CG GLU A 39 15.236 0.131 -12.475 1.00 0.00 C ATOM 648 CD GLU A 39 16.695 -0.268 -12.583 1.00 0.00 C ATOM 649 OE1 GLU A 39 17.504 0.213 -11.763 1.00 0.00 O ATOM 650 OE2 GLU A 39 17.029 -1.061 -13.489 1.00 0.00 O ATOM 0 H GLU A 39 12.421 -1.356 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 39 13.859 -1.953 -12.152 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.940 0.557 -10.827 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.422 -0.265 -10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.670 -0.358 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.144 1.205 -12.634 1.00 0.00 H new ATOM 657 N LYS A 40 15.763 -3.063 -10.736 1.00 0.00 N ATOM 658 CA LYS A 40 16.556 -4.044 -9.997 1.00 0.00 C ATOM 659 C LYS A 40 16.988 -3.539 -8.627 1.00 0.00 C ATOM 660 O LYS A 40 17.534 -4.288 -7.818 1.00 0.00 O ATOM 661 CB LYS A 40 17.777 -4.478 -10.811 1.00 0.00 C ATOM 662 CG LYS A 40 18.197 -5.918 -10.559 1.00 0.00 C ATOM 663 CD LYS A 40 19.710 -6.065 -10.550 1.00 0.00 C ATOM 664 CE LYS A 40 20.131 -7.459 -10.111 1.00 0.00 C ATOM 665 NZ LYS A 40 21.426 -7.442 -9.375 1.00 0.00 N ATOM 0 H LYS A 40 16.161 -2.792 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 40 15.910 -4.906 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.559 -4.352 -11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 40 18.613 -3.818 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.792 -6.254 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.773 -6.562 -11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 40 20.102 -5.862 -11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.145 -5.324 -9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.357 -7.888 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.219 -8.104 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.678 -8.411 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 22.170 -7.056 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 21.335 -6.847 -8.527 1.00 0.00 H new ATOM 679 N GLY A 41 16.738 -2.275 -8.381 1.00 0.00 N ATOM 680 CA GLY A 41 17.096 -1.676 -7.108 1.00 0.00 C ATOM 681 C GLY A 41 16.954 -0.166 -7.107 1.00 0.00 C ATOM 682 O GLY A 41 17.854 0.546 -6.663 1.00 0.00 O ATOM 0 H GLY A 41 16.290 -1.639 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.466 -2.096 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.125 -1.940 -6.865 1.00 0.00 H new ATOM 686 N VAL A 42 15.820 0.325 -7.599 1.00 0.00 N ATOM 687 CA VAL A 42 15.569 1.761 -7.643 1.00 0.00 C ATOM 688 C VAL A 42 14.078 2.069 -7.539 1.00 0.00 C ATOM 689 O VAL A 42 13.268 1.541 -8.300 1.00 0.00 O ATOM 690 CB VAL A 42 16.118 2.396 -8.935 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.139 3.911 -8.817 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.507 1.862 -9.251 1.00 0.00 C ATOM 0 H VAL A 42 15.063 -0.249 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 42 16.088 2.190 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 42 15.456 2.125 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.530 4.342 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.127 4.277 -8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.776 4.202 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.875 2.324 -10.167 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.183 2.098 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.460 0.781 -9.383 1.00 0.00 H new ATOM 702 N PHE A 43 13.726 2.935 -6.595 1.00 0.00 N ATOM 703 CA PHE A 43 12.336 3.331 -6.390 1.00 0.00 C ATOM 704 C PHE A 43 11.794 4.053 -7.623 1.00 0.00 C ATOM 705 O PHE A 43 12.553 4.422 -8.520 1.00 0.00 O ATOM 706 CB PHE A 43 12.221 4.247 -5.167 1.00 0.00 C ATOM 707 CG PHE A 43 11.908 3.526 -3.883 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.244 2.192 -3.714 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.276 4.190 -2.842 1.00 0.00 C ATOM 710 CE1 PHE A 43 11.956 1.534 -2.534 1.00 0.00 C ATOM 711 CE2 PHE A 43 10.987 3.537 -1.659 1.00 0.00 C ATOM 712 CZ PHE A 43 11.327 2.208 -1.504 1.00 0.00 C ATOM 0 H PHE A 43 14.387 3.378 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 43 11.747 2.430 -6.222 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.157 4.792 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.443 4.988 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.737 1.661 -4.515 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.007 5.229 -2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.222 0.494 -2.416 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.495 4.066 -0.856 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.102 1.696 -0.580 1.00 0.00 H new ATOM 722 N ASP A 44 10.481 4.260 -7.658 1.00 0.00 N ATOM 723 CA ASP A 44 9.842 4.944 -8.780 1.00 0.00 C ATOM 724 C ASP A 44 9.584 6.412 -8.448 1.00 0.00 C ATOM 725 O ASP A 44 8.689 6.734 -7.667 1.00 0.00 O ATOM 726 CB ASP A 44 8.526 4.256 -9.145 1.00 0.00 C ATOM 727 CG ASP A 44 8.092 4.560 -10.566 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.744 4.061 -11.507 1.00 0.00 O ATOM 729 OD2 ASP A 44 7.101 5.299 -10.737 1.00 0.00 O ATOM 0 H ASP A 44 9.838 3.964 -6.923 1.00 0.00 H new ATOM 0 HA ASP A 44 10.519 4.895 -9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.636 3.178 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.747 4.576 -8.453 1.00 0.00 H new ATOM 734 N ASP A 45 10.373 7.297 -9.047 1.00 0.00 N ATOM 735 CA ASP A 45 10.233 8.731 -8.814 1.00 0.00 C ATOM 736 C ASP A 45 8.855 9.236 -9.237 1.00 0.00 C ATOM 737 O ASP A 45 8.388 10.265 -8.748 1.00 0.00 O ATOM 738 CB ASP A 45 11.320 9.496 -9.573 1.00 0.00 C ATOM 739 CG ASP A 45 11.310 9.194 -11.058 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.307 9.526 -11.724 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.305 8.625 -11.554 1.00 0.00 O ATOM 0 H ASP A 45 11.117 7.047 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 45 10.343 8.906 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.180 10.566 -9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.296 9.241 -9.160 1.00 0.00 H new ATOM 746 N GLU A 46 8.210 8.516 -10.151 1.00 0.00 N ATOM 747 CA GLU A 46 6.890 8.908 -10.635 1.00 0.00 C ATOM 748 C GLU A 46 5.828 8.733 -9.552 1.00 0.00 C ATOM 749 O GLU A 46 5.157 9.692 -9.169 1.00 0.00 O ATOM 750 CB GLU A 46 6.511 8.095 -11.875 1.00 0.00 C ATOM 751 CG GLU A 46 7.651 7.927 -12.867 1.00 0.00 C ATOM 752 CD GLU A 46 7.181 7.412 -14.213 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.182 6.662 -14.246 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.813 7.756 -15.233 1.00 0.00 O ATOM 0 H GLU A 46 8.578 7.662 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 46 6.935 9.964 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.166 7.110 -11.561 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.674 8.581 -12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.153 8.885 -13.004 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.388 7.237 -12.455 1.00 0.00 H new ATOM 761 N LYS A 47 5.674 7.506 -9.065 1.00 0.00 N ATOM 762 CA LYS A 47 4.689 7.217 -8.029 1.00 0.00 C ATOM 763 C LYS A 47 5.068 7.892 -6.715 1.00 0.00 C ATOM 764 O LYS A 47 4.227 8.500 -6.052 1.00 0.00 O ATOM 765 CB LYS A 47 4.552 5.707 -7.817 1.00 0.00 C ATOM 766 CG LYS A 47 4.602 4.901 -9.106 1.00 0.00 C ATOM 767 CD LYS A 47 3.668 3.704 -9.051 1.00 0.00 C ATOM 768 CE LYS A 47 3.306 3.214 -10.444 1.00 0.00 C ATOM 769 NZ LYS A 47 1.947 3.664 -10.856 1.00 0.00 N ATOM 0 H LYS A 47 6.217 6.698 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 47 3.730 7.614 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.350 5.368 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.609 5.505 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.328 5.539 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.622 4.560 -9.284 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.142 2.897 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.760 3.974 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.042 3.580 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.351 2.125 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.739 3.309 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.241 3.294 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.911 4.703 -10.857 1.00 0.00 H new ATOM 783 N ILE A 48 6.339 7.788 -6.344 1.00 0.00 N ATOM 784 CA ILE A 48 6.823 8.393 -5.110 1.00 0.00 C ATOM 785 C ILE A 48 6.546 9.896 -5.097 1.00 0.00 C ATOM 786 O ILE A 48 6.359 10.491 -4.039 1.00 0.00 O ATOM 787 CB ILE A 48 8.338 8.129 -4.911 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.555 6.797 -4.186 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.002 9.261 -4.133 1.00 0.00 C ATOM 790 CD1 ILE A 48 7.883 5.618 -4.858 1.00 0.00 C ATOM 0 H ILE A 48 7.051 7.291 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 48 6.284 7.930 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 48 8.800 8.080 -5.897 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.625 6.602 -4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.180 6.884 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.063 9.045 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.883 10.197 -4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.535 9.351 -3.152 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.082 4.711 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.808 5.790 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.275 5.503 -5.869 1.00 0.00 H new ATOM 802 N ALA A 49 6.518 10.501 -6.279 1.00 0.00 N ATOM 803 CA ALA A 49 6.261 11.931 -6.396 1.00 0.00 C ATOM 804 C ALA A 49 4.822 12.257 -6.017 1.00 0.00 C ATOM 805 O ALA A 49 4.569 12.994 -5.060 1.00 0.00 O ATOM 806 CB ALA A 49 6.559 12.408 -7.810 1.00 0.00 C ATOM 0 H ALA A 49 6.670 10.025 -7.168 1.00 0.00 H new ATOM 0 HA ALA A 49 6.921 12.454 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.362 13.478 -7.882 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.605 12.215 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.923 11.874 -8.516 1.00 0.00 H new ATOM 812 N GLU A 50 3.878 11.701 -6.770 1.00 0.00 N ATOM 813 CA GLU A 50 2.465 11.932 -6.505 1.00 0.00 C ATOM 814 C GLU A 50 2.106 11.460 -5.101 1.00 0.00 C ATOM 815 O GLU A 50 1.246 12.041 -4.438 1.00 0.00 O ATOM 816 CB GLU A 50 1.595 11.220 -7.548 1.00 0.00 C ATOM 817 CG GLU A 50 1.537 9.710 -7.378 1.00 0.00 C ATOM 818 CD GLU A 50 1.046 9.003 -8.627 1.00 0.00 C ATOM 819 OE1 GLU A 50 1.678 9.170 -9.691 1.00 0.00 O ATOM 820 OE2 GLU A 50 0.028 8.284 -8.540 1.00 0.00 O ATOM 0 H GLU A 50 4.066 11.090 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 50 2.273 13.003 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.583 11.620 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.978 11.449 -8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.529 9.338 -7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.879 9.467 -6.544 1.00 0.00 H new ATOM 827 N LEU A 51 2.787 10.411 -4.647 1.00 0.00 N ATOM 828 CA LEU A 51 2.553 9.865 -3.321 1.00 0.00 C ATOM 829 C LEU A 51 2.820 10.923 -2.258 1.00 0.00 C ATOM 830 O LEU A 51 1.965 11.202 -1.418 1.00 0.00 O ATOM 831 CB LEU A 51 3.447 8.645 -3.097 1.00 0.00 C ATOM 832 CG LEU A 51 3.079 7.750 -1.906 1.00 0.00 C ATOM 833 CD1 LEU A 51 4.080 7.922 -0.783 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.670 8.036 -1.404 1.00 0.00 C ATOM 0 H LEU A 51 3.506 9.924 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 51 1.510 9.557 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.431 8.037 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.472 8.990 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 51 3.107 6.716 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.803 7.280 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.074 7.649 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.085 8.962 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.445 7.383 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.601 9.076 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.954 7.853 -2.205 1.00 0.00 H new ATOM 846 N LEU A 52 4.007 11.530 -2.312 1.00 0.00 N ATOM 847 CA LEU A 52 4.378 12.571 -1.370 1.00 0.00 C ATOM 848 C LEU A 52 3.264 13.595 -1.238 1.00 0.00 C ATOM 849 O LEU A 52 2.889 13.995 -0.136 1.00 0.00 O ATOM 850 CB LEU A 52 5.648 13.226 -1.830 1.00 0.00 C ATOM 851 CG LEU A 52 6.862 12.345 -1.626 1.00 0.00 C ATOM 852 CD1 LEU A 52 8.058 13.002 -2.230 1.00 0.00 C ATOM 853 CD2 LEU A 52 7.075 12.067 -0.151 1.00 0.00 C ATOM 0 H LEU A 52 4.725 11.313 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 52 4.540 12.126 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.560 13.479 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.787 14.162 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 52 6.702 11.387 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.933 12.369 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.891 13.151 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.224 13.967 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.952 11.432 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.228 13.008 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.199 11.561 0.254 1.00 0.00 H new ATOM 865 N THR A 53 2.721 13.995 -2.383 1.00 0.00 N ATOM 866 CA THR A 53 1.626 14.953 -2.415 1.00 0.00 C ATOM 867 C THR A 53 0.357 14.306 -1.873 1.00 0.00 C ATOM 868 O THR A 53 -0.447 14.951 -1.198 1.00 0.00 O ATOM 869 CB THR A 53 1.393 15.452 -3.842 1.00 0.00 C ATOM 870 OG1 THR A 53 2.567 16.050 -4.362 1.00 0.00 O ATOM 871 CG2 THR A 53 0.275 16.467 -3.946 1.00 0.00 C ATOM 0 H THR A 53 3.023 13.669 -3.301 1.00 0.00 H new ATOM 0 HA THR A 53 1.888 15.806 -1.789 1.00 0.00 H new ATOM 0 HB THR A 53 1.113 14.568 -4.415 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.398 16.361 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.163 16.779 -4.984 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.656 16.019 -3.599 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.512 17.334 -3.330 1.00 0.00 H new ATOM 879 N LYS A 54 0.194 13.017 -2.164 1.00 0.00 N ATOM 880 CA LYS A 54 -0.965 12.264 -1.702 1.00 0.00 C ATOM 881 C LYS A 54 -0.995 12.206 -0.177 1.00 0.00 C ATOM 882 O LYS A 54 -2.061 12.124 0.432 1.00 0.00 O ATOM 883 CB LYS A 54 -0.942 10.843 -2.279 1.00 0.00 C ATOM 884 CG LYS A 54 -2.314 10.330 -2.686 1.00 0.00 C ATOM 885 CD LYS A 54 -2.522 10.420 -4.190 1.00 0.00 C ATOM 886 CE LYS A 54 -3.158 9.154 -4.742 1.00 0.00 C ATOM 887 NZ LYS A 54 -3.475 9.278 -6.192 1.00 0.00 N ATOM 0 H LYS A 54 0.854 12.473 -2.720 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.864 12.773 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.283 10.823 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.515 10.166 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.426 9.295 -2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.085 10.908 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.156 11.277 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.564 10.591 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.483 8.312 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.071 8.935 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.907 8.394 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.139 10.065 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.600 9.461 -6.724 1.00 0.00 H new ATOM 901 N LEU A 55 0.187 12.251 0.431 1.00 0.00 N ATOM 902 CA LEU A 55 0.307 12.207 1.883 1.00 0.00 C ATOM 903 C LEU A 55 -0.107 13.535 2.506 1.00 0.00 C ATOM 904 O LEU A 55 -1.105 13.613 3.223 1.00 0.00 O ATOM 905 CB LEU A 55 1.744 11.866 2.283 1.00 0.00 C ATOM 906 CG LEU A 55 2.237 10.473 1.868 1.00 0.00 C ATOM 907 CD1 LEU A 55 3.090 9.869 2.967 1.00 0.00 C ATOM 908 CD2 LEU A 55 1.071 9.548 1.544 1.00 0.00 C ATOM 0 H LEU A 55 1.077 12.318 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.362 11.431 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.410 12.611 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.831 11.954 3.366 1.00 0.00 H new ATOM 0 HG LEU A 55 2.841 10.586 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.433 8.881 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.951 10.511 3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.499 9.781 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.453 8.569 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.435 9.443 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.490 9.969 0.723 1.00 0.00 H new ATOM 920 N GLY A 56 0.667 14.579 2.226 1.00 0.00 N ATOM 921 CA GLY A 56 0.368 15.892 2.767 1.00 0.00 C ATOM 922 C GLY A 56 1.551 16.835 2.688 1.00 0.00 C ATOM 923 O GLY A 56 1.381 18.050 2.586 1.00 0.00 O ATOM 0 H GLY A 56 1.496 14.539 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.473 16.323 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.057 15.791 3.807 1.00 0.00 H new ATOM 927 N ARG A 57 2.756 16.274 2.740 1.00 0.00 N ATOM 928 CA ARG A 57 3.979 17.071 2.676 1.00 0.00 C ATOM 929 C ARG A 57 4.887 16.581 1.552 1.00 0.00 C ATOM 930 O ARG A 57 4.470 15.798 0.699 1.00 0.00 O ATOM 931 CB ARG A 57 4.717 17.009 4.017 1.00 0.00 C ATOM 932 CG ARG A 57 4.706 18.327 4.777 1.00 0.00 C ATOM 933 CD ARG A 57 3.288 18.784 5.077 1.00 0.00 C ATOM 934 NE ARG A 57 3.168 19.353 6.418 1.00 0.00 N ATOM 935 CZ ARG A 57 3.660 20.540 6.766 1.00 0.00 C ATOM 936 NH1 ARG A 57 4.306 21.285 5.878 1.00 0.00 N ATOM 937 NH2 ARG A 57 3.507 20.983 8.007 1.00 0.00 N ATOM 0 H ARG A 57 2.912 15.270 2.826 1.00 0.00 H new ATOM 0 HA ARG A 57 3.705 18.105 2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.262 16.237 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.750 16.709 3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.259 18.215 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.219 19.090 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.983 19.526 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.607 17.939 4.979 1.00 0.00 H new ATOM 0 HE ARG A 57 2.679 18.809 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.428 20.949 4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.681 22.194 6.151 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.013 20.414 8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.884 21.892 8.274 1.00 0.00 H new ATOM 951 N ASP A 58 6.130 17.052 1.553 1.00 0.00 N ATOM 952 CA ASP A 58 7.098 16.665 0.531 1.00 0.00 C ATOM 953 C ASP A 58 8.013 15.555 1.039 1.00 0.00 C ATOM 954 O ASP A 58 8.495 14.731 0.263 1.00 0.00 O ATOM 955 CB ASP A 58 7.932 17.874 0.105 1.00 0.00 C ATOM 956 CG ASP A 58 8.507 18.625 1.290 1.00 0.00 C ATOM 957 OD1 ASP A 58 9.453 18.107 1.918 1.00 0.00 O ATOM 958 OD2 ASP A 58 8.010 19.732 1.589 1.00 0.00 O ATOM 0 H ASP A 58 6.491 17.703 2.250 1.00 0.00 H new ATOM 0 HA ASP A 58 6.547 16.290 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.745 17.542 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.313 18.550 -0.484 1.00 0.00 H new ATOM 963 N THR A 59 8.248 15.542 2.348 1.00 0.00 N ATOM 964 CA THR A 59 9.106 14.534 2.959 1.00 0.00 C ATOM 965 C THR A 59 8.283 13.361 3.482 1.00 0.00 C ATOM 966 O THR A 59 7.071 13.473 3.661 1.00 0.00 O ATOM 967 CB THR A 59 9.919 15.150 4.100 1.00 0.00 C ATOM 968 OG1 THR A 59 10.806 14.196 4.656 1.00 0.00 O ATOM 969 CG2 THR A 59 9.060 15.688 5.223 1.00 0.00 C ATOM 0 H THR A 59 7.857 16.217 3.004 1.00 0.00 H new ATOM 0 HA THR A 59 9.788 14.163 2.194 1.00 0.00 H new ATOM 0 HB THR A 59 10.464 15.980 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.318 14.609 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.698 16.110 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.398 16.463 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.464 14.879 5.645 1.00 0.00 H new ATOM 977 N GLN A 60 8.952 12.239 3.731 1.00 0.00 N ATOM 978 CA GLN A 60 8.287 11.046 4.237 1.00 0.00 C ATOM 979 C GLN A 60 8.538 10.885 5.730 1.00 0.00 C ATOM 980 O GLN A 60 9.587 10.395 6.149 1.00 0.00 O ATOM 981 CB GLN A 60 8.782 9.805 3.494 1.00 0.00 C ATOM 982 CG GLN A 60 8.612 9.890 1.986 1.00 0.00 C ATOM 983 CD GLN A 60 9.898 10.264 1.275 1.00 0.00 C ATOM 984 OE1 GLN A 60 10.321 11.419 1.298 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.528 9.283 0.637 1.00 0.00 N ATOM 0 H GLN A 60 9.957 12.133 3.590 1.00 0.00 H new ATOM 0 HA GLN A 60 7.216 11.158 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.836 9.650 3.724 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.244 8.932 3.863 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.259 8.930 1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.844 10.627 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.141 8.339 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.398 9.474 0.140 1.00 0.00 H new ATOM 994 N ILE A 61 7.564 11.299 6.523 1.00 0.00 N ATOM 995 CA ILE A 61 7.662 11.210 7.976 1.00 0.00 C ATOM 996 C ILE A 61 7.370 9.797 8.466 1.00 0.00 C ATOM 997 O ILE A 61 6.244 9.483 8.855 1.00 0.00 O ATOM 998 CB ILE A 61 6.691 12.189 8.665 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.276 12.015 8.109 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.166 13.622 8.484 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.197 12.100 9.166 1.00 0.00 C ATOM 0 H ILE A 61 6.690 11.703 6.185 1.00 0.00 H new ATOM 0 HA ILE A 61 8.686 11.476 8.238 1.00 0.00 H new ATOM 0 HB ILE A 61 6.671 11.967 9.732 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.095 12.780 7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.207 11.049 7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.470 14.301 8.976 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.156 13.735 8.925 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.213 13.858 7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.220 11.968 8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.353 11.318 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.239 13.075 9.651 1.00 0.00 H new ATOM 1013 N GLY A 62 8.391 8.950 8.448 1.00 0.00 N ATOM 1014 CA GLY A 62 8.228 7.580 8.897 1.00 0.00 C ATOM 1015 C GLY A 62 7.375 6.755 7.954 1.00 0.00 C ATOM 1016 O GLY A 62 6.789 5.750 8.358 1.00 0.00 O ATOM 0 H GLY A 62 9.331 9.187 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.209 7.115 8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.774 7.578 9.888 1.00 0.00 H new ATOM 1020 N LEU A 63 7.303 7.177 6.696 1.00 0.00 N ATOM 1021 CA LEU A 63 6.516 6.462 5.698 1.00 0.00 C ATOM 1022 C LEU A 63 7.042 5.043 5.513 1.00 0.00 C ATOM 1023 O LEU A 63 8.243 4.834 5.347 1.00 0.00 O ATOM 1024 CB LEU A 63 6.542 7.212 4.364 1.00 0.00 C ATOM 1025 CG LEU A 63 5.494 6.761 3.344 1.00 0.00 C ATOM 1026 CD1 LEU A 63 5.828 5.375 2.813 1.00 0.00 C ATOM 1027 CD2 LEU A 63 4.106 6.778 3.964 1.00 0.00 C ATOM 0 H LEU A 63 7.779 8.008 6.344 1.00 0.00 H new ATOM 0 HA LEU A 63 5.486 6.405 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.401 8.275 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.531 7.098 3.920 1.00 0.00 H new ATOM 0 HG LEU A 63 5.504 7.459 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.072 5.071 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.805 5.396 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.847 4.664 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.373 6.455 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.081 6.103 4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.867 7.789 4.293 1.00 0.00 H new ATOM 1039 N THR A 64 6.136 4.072 5.549 1.00 0.00 N ATOM 1040 CA THR A 64 6.516 2.674 5.393 1.00 0.00 C ATOM 1041 C THR A 64 5.639 1.972 4.361 1.00 0.00 C ATOM 1042 O THR A 64 4.629 2.514 3.911 1.00 0.00 O ATOM 1043 CB THR A 64 6.421 1.947 6.735 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.368 2.478 7.519 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.691 2.032 7.554 1.00 0.00 C ATOM 0 H THR A 64 5.137 4.227 5.684 1.00 0.00 H new ATOM 0 HA THR A 64 7.547 2.647 5.039 1.00 0.00 H new ATOM 0 HB THR A 64 6.239 0.902 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.322 1.999 8.373 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.555 1.496 8.493 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.514 1.585 6.997 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.920 3.077 7.763 1.00 0.00 H new ATOM 1053 N MET A 65 6.034 0.758 3.996 1.00 0.00 N ATOM 1054 CA MET A 65 5.292 -0.032 3.024 1.00 0.00 C ATOM 1055 C MET A 65 4.799 -1.331 3.651 1.00 0.00 C ATOM 1056 O MET A 65 5.428 -1.864 4.565 1.00 0.00 O ATOM 1057 CB MET A 65 6.169 -0.335 1.807 1.00 0.00 C ATOM 1058 CG MET A 65 6.382 0.862 0.896 1.00 0.00 C ATOM 1059 SD MET A 65 7.707 1.943 1.467 1.00 0.00 S ATOM 1060 CE MET A 65 9.074 0.789 1.556 1.00 0.00 C ATOM 0 H MET A 65 6.868 0.299 4.361 1.00 0.00 H new ATOM 0 HA MET A 65 4.427 0.546 2.701 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.138 -0.697 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.713 -1.141 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.613 0.511 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.456 1.433 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.016 1.336 1.507 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.023 0.237 2.494 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.016 0.091 0.721 1.00 0.00 H new ATOM 1070 N PRO A 66 3.660 -1.861 3.174 1.00 0.00 N ATOM 1071 CA PRO A 66 2.875 -1.269 2.091 1.00 0.00 C ATOM 1072 C PRO A 66 1.934 -0.171 2.582 1.00 0.00 C ATOM 1073 O PRO A 66 1.291 -0.312 3.622 1.00 0.00 O ATOM 1074 CB PRO A 66 2.065 -2.456 1.544 1.00 0.00 C ATOM 1075 CG PRO A 66 2.438 -3.639 2.383 1.00 0.00 C ATOM 1076 CD PRO A 66 3.041 -3.095 3.645 1.00 0.00 C ATOM 0 HA PRO A 66 3.512 -0.788 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.995 -2.258 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.297 -2.635 0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.562 -4.249 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.148 -4.278 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.288 -2.908 4.410 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.771 -3.779 4.077 1.00 0.00 H new ATOM 1084 N GLN A 67 1.839 0.911 1.813 1.00 0.00 N ATOM 1085 CA GLN A 67 0.958 2.021 2.158 1.00 0.00 C ATOM 1086 C GLN A 67 -0.314 1.953 1.320 1.00 0.00 C ATOM 1087 O GLN A 67 -0.258 2.000 0.093 1.00 0.00 O ATOM 1088 CB GLN A 67 1.666 3.360 1.940 1.00 0.00 C ATOM 1089 CG GLN A 67 1.186 4.461 2.870 1.00 0.00 C ATOM 1090 CD GLN A 67 1.625 4.245 4.306 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.786 3.109 4.753 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.819 5.337 5.036 1.00 0.00 N ATOM 0 H GLN A 67 2.362 1.042 0.947 1.00 0.00 H new ATOM 0 HA GLN A 67 0.694 1.942 3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.738 3.221 2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.516 3.677 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.566 5.420 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.098 4.516 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.673 6.259 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.114 5.254 6.009 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.456 1.811 1.979 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.723 1.706 1.270 1.00 0.00 C ATOM 1103 C VAL A 68 -3.384 3.062 1.053 1.00 0.00 C ATOM 1104 O VAL A 68 -3.089 4.038 1.744 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.711 0.774 2.003 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.788 0.286 1.047 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.980 -0.403 2.637 1.00 0.00 C ATOM 0 H VAL A 68 -1.531 1.766 2.995 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.481 1.281 0.296 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.189 1.342 2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.477 -0.370 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.335 1.140 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.325 -0.263 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.698 -1.045 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.469 -0.974 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.249 -0.033 3.356 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.291 3.100 0.080 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.018 4.316 -0.261 1.00 0.00 C ATOM 1119 C PHE A 69 -6.456 3.981 -0.648 1.00 0.00 C ATOM 1120 O PHE A 69 -6.723 2.929 -1.229 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.326 5.032 -1.421 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.176 5.895 -0.998 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.388 7.204 -0.603 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -1.883 5.396 -0.997 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.332 8.003 -0.213 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -0.819 6.193 -0.608 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.046 7.498 -0.215 1.00 0.00 C ATOM 0 H PHE A 69 -4.541 2.292 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.029 4.971 0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.968 4.289 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.058 5.648 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.391 7.605 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.703 4.376 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.511 9.023 0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.185 5.795 -0.612 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.219 8.122 0.090 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.380 4.875 -0.316 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.791 4.666 -0.619 1.00 0.00 C ATOM 1139 C ALA A 70 -9.023 4.549 -2.127 1.00 0.00 C ATOM 1140 O ALA A 70 -8.229 5.048 -2.924 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.627 5.799 -0.044 1.00 0.00 C ATOM 0 H ALA A 70 -7.177 5.752 0.163 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.099 3.728 -0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.678 5.630 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.497 5.835 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.306 6.745 -0.479 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.127 3.898 -2.537 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.470 3.721 -3.952 1.00 0.00 C ATOM 1149 C PRO A 71 -10.977 5.010 -4.594 1.00 0.00 C ATOM 1150 O PRO A 71 -11.209 5.060 -5.803 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.575 2.654 -3.936 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.698 2.198 -2.517 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.134 3.291 -1.661 1.00 0.00 C ATOM 0 HA PRO A 71 -9.600 3.433 -4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.518 3.066 -4.295 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.321 1.821 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.740 2.006 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.155 1.266 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.899 4.009 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.691 2.900 -0.745 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.141 6.052 -3.784 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.612 7.341 -4.279 1.00 0.00 C ATOM 1163 C ASP A 72 -10.548 8.424 -4.101 1.00 0.00 C ATOM 1164 O ASP A 72 -10.704 9.542 -4.594 1.00 0.00 O ATOM 1165 CB ASP A 72 -12.898 7.745 -3.558 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.077 7.867 -4.503 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.153 8.880 -5.229 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.923 6.948 -4.518 1.00 0.00 O ATOM 0 H ASP A 72 -10.954 6.029 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.816 7.238 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.127 7.007 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.743 8.697 -3.050 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.467 8.093 -3.397 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.406 9.057 -3.178 1.00 0.00 C ATOM 1175 C GLY A 73 -8.296 9.481 -1.726 1.00 0.00 C ATOM 1176 O GLY A 73 -8.926 10.452 -1.307 1.00 0.00 O ATOM 0 H GLY A 73 -9.309 7.177 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.457 8.628 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.585 9.936 -3.797 1.00 0.00 H new ATOM 1180 N SER A 74 -7.493 8.752 -0.956 1.00 0.00 N ATOM 1181 CA SER A 74 -7.300 9.061 0.458 1.00 0.00 C ATOM 1182 C SER A 74 -6.319 8.085 1.100 1.00 0.00 C ATOM 1183 O SER A 74 -6.130 6.971 0.615 1.00 0.00 O ATOM 1184 CB SER A 74 -8.638 9.020 1.201 1.00 0.00 C ATOM 1185 OG SER A 74 -9.278 10.284 1.168 1.00 0.00 O ATOM 0 H SER A 74 -6.966 7.944 -1.287 1.00 0.00 H new ATOM 0 HA SER A 74 -6.884 10.066 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.286 8.269 0.749 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.474 8.719 2.236 1.00 0.00 H new ATOM 0 HG SER A 74 -9.587 10.471 0.257 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.696 8.513 2.192 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.732 7.677 2.899 1.00 0.00 C ATOM 1193 C HIS A 75 -5.421 6.840 3.972 1.00 0.00 C ATOM 1194 O HIS A 75 -6.046 7.379 4.886 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.645 8.546 3.534 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.408 7.787 3.898 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.601 8.101 4.969 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.840 6.704 3.307 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.591 7.221 4.996 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.689 6.352 4.007 1.00 0.00 N ATOM 0 H HIS A 75 -5.841 9.433 2.607 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.274 7.002 2.176 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.380 9.345 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.047 9.020 4.429 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.747 8.868 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.221 6.197 2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.200 7.222 5.731 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.301 5.521 3.859 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.911 4.612 4.824 1.00 0.00 C ATOM 1210 C ILE A 76 -4.863 4.082 5.801 1.00 0.00 C ATOM 1211 O ILE A 76 -5.142 3.891 6.984 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.626 3.436 4.113 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -8.036 3.854 3.702 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.685 2.197 4.997 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -8.100 4.491 2.333 1.00 0.00 C ATOM 0 H ILE A 76 -4.787 5.058 3.109 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.659 5.174 5.383 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.048 3.183 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.685 2.979 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.428 4.555 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.194 1.394 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.673 1.881 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.231 2.428 5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.131 4.763 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.477 5.385 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.738 3.785 1.586 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.655 3.854 5.298 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.584 3.359 6.141 1.00 0.00 C ATOM 1229 C GLY A 77 -2.001 2.054 5.640 1.00 0.00 C ATOM 1230 O GLY A 77 -2.177 1.694 4.476 1.00 0.00 O ATOM 0 H GLY A 77 -3.399 4.003 4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.794 4.108 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.960 3.219 7.154 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.298 1.346 6.519 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.692 0.082 6.141 1.00 0.00 C ATOM 1236 C GLY A 78 -1.585 -1.106 6.442 1.00 0.00 C ATOM 1237 O GLY A 78 -2.781 -1.080 6.150 1.00 0.00 O ATOM 0 H GLY A 78 -1.137 1.625 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.462 0.098 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.254 -0.036 6.670 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.003 -2.151 7.023 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.759 -3.351 7.359 1.00 0.00 C ATOM 1243 C PHE A 79 -2.647 -3.115 8.575 1.00 0.00 C ATOM 1244 O PHE A 79 -3.871 -3.054 8.459 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.817 -4.528 7.620 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.529 -5.846 7.710 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.504 -6.184 6.784 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.232 -6.745 8.724 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.169 -7.392 6.866 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.895 -7.955 8.810 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.864 -8.279 7.881 1.00 0.00 C ATOM 0 H PHE A 79 -0.014 -2.190 7.270 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.396 -3.592 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.076 -4.576 6.822 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.274 -4.352 8.548 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.747 -5.494 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.475 -6.497 9.454 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.926 -7.643 6.138 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.655 -8.647 9.604 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.383 -9.224 7.948 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.025 -2.979 9.744 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.765 -2.747 10.979 1.00 0.00 C ATOM 1263 C ASP A 80 -3.650 -1.512 10.849 1.00 0.00 C ATOM 1264 O ASP A 80 -4.838 -1.547 11.174 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.800 -2.575 12.154 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.496 -2.703 13.496 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.495 -1.987 13.717 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.042 -3.520 14.324 1.00 0.00 O ATOM 0 H ASP A 80 -1.013 -3.026 9.860 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.399 -3.614 11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.010 -3.323 12.085 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.321 -1.598 12.088 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.062 -0.423 10.365 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.794 0.824 10.183 1.00 0.00 C ATOM 1275 C GLN A 81 -5.039 0.596 9.334 1.00 0.00 C ATOM 1276 O GLN A 81 -6.097 1.165 9.598 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.897 1.875 9.527 1.00 0.00 C ATOM 1278 CG GLN A 81 -3.283 3.305 9.872 1.00 0.00 C ATOM 1279 CD GLN A 81 -2.346 3.934 10.884 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -2.437 3.665 12.082 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.438 4.778 10.407 1.00 0.00 N ATOM 0 H GLN A 81 -2.080 -0.379 10.092 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.103 1.186 11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.865 1.702 9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.934 1.748 8.445 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.286 3.906 8.963 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.299 3.318 10.266 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.398 4.972 9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.781 5.232 11.041 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.906 -0.250 8.316 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.024 -0.559 7.435 1.00 0.00 C ATOM 1292 C LEU A 82 -7.019 -1.486 8.118 1.00 0.00 C ATOM 1293 O LEU A 82 -8.228 -1.325 7.962 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.542 -1.183 6.137 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.675 -1.559 5.194 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.375 -1.114 3.779 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.928 -3.047 5.267 1.00 0.00 C ATOM 0 H LEU A 82 -4.038 -0.731 8.083 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.525 0.381 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.875 -0.485 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.957 -2.074 6.365 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.582 -1.041 5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.201 -1.395 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.248 -0.032 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.460 -1.594 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.740 -3.312 4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.025 -3.584 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.202 -3.320 6.286 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.518 -2.442 8.893 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.398 -3.361 9.609 1.00 0.00 C ATOM 1311 C ARG A 83 -8.435 -2.560 10.384 1.00 0.00 C ATOM 1312 O ARG A 83 -9.561 -3.012 10.591 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.593 -4.250 10.559 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.267 -5.577 10.870 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.345 -6.501 11.648 1.00 0.00 C ATOM 1316 NE ARG A 83 -7.074 -7.318 12.615 1.00 0.00 N ATOM 1317 CZ ARG A 83 -7.748 -8.421 12.295 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -7.790 -8.841 11.037 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -8.383 -9.105 13.237 1.00 0.00 N ATOM 0 H ARG A 83 -5.521 -2.601 9.041 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.901 -4.007 8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.614 -4.443 10.120 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.423 -3.711 11.491 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.175 -5.399 11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.568 -6.060 9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.813 -7.151 10.953 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.593 -5.908 12.169 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.066 -7.027 13.592 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.304 -8.318 10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.308 -9.687 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.355 -8.786 14.205 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.900 -9.950 12.993 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.050 -1.349 10.784 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.950 -0.461 11.503 1.00 0.00 C ATOM 1335 C GLU A 84 -10.012 0.067 10.546 1.00 0.00 C ATOM 1336 O GLU A 84 -11.167 0.260 10.927 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.176 0.704 12.126 1.00 0.00 C ATOM 1338 CG GLU A 84 -6.935 0.272 12.888 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.292 1.414 13.650 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -5.804 2.361 12.998 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -6.277 1.361 14.898 1.00 0.00 O ATOM 0 H GLU A 84 -7.120 -0.964 10.620 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.430 -1.019 12.307 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.885 1.398 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.836 1.248 12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.200 -0.522 13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.211 -0.147 12.189 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.614 0.274 9.290 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.530 0.748 8.266 1.00 0.00 C ATOM 1350 C TYR A 85 -11.574 -0.326 7.981 1.00 0.00 C ATOM 1351 O TYR A 85 -12.718 -0.028 7.633 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.753 1.084 6.991 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.608 1.642 5.879 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.447 0.818 5.142 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.568 2.993 5.560 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.226 1.324 4.120 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -11.344 3.508 4.540 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.172 2.670 3.823 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.945 3.179 2.806 1.00 0.00 O ATOM 0 H TYR A 85 -8.661 0.119 8.963 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.034 1.649 8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.973 1.806 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.254 0.183 6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.491 -0.236 5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.920 3.652 6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.874 0.669 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.303 4.561 4.305 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.789 4.143 2.728 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.160 -1.580 8.145 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.030 -2.729 7.924 1.00 0.00 C ATOM 1371 C PHE A 86 -12.650 -3.224 9.231 1.00 0.00 C ATOM 1372 O PHE A 86 -13.628 -3.971 9.216 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.235 -3.851 7.255 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.134 -3.690 5.767 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.127 -4.188 4.939 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.058 -3.032 5.197 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.048 -4.034 3.570 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.974 -2.873 3.826 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.970 -3.375 3.011 1.00 0.00 C ATOM 0 H PHE A 86 -10.213 -1.827 8.434 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.846 -2.420 7.271 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.232 -3.882 7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.707 -4.807 7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -12.973 -4.703 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.276 -2.639 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.828 -4.428 2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.130 -2.357 3.393 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.906 -3.253 1.940 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.078 -2.805 10.357 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.580 -3.208 11.666 1.00 0.00 C ATOM 1391 C LYS A 87 -12.624 -4.729 11.790 1.00 0.00 C ATOM 1392 O LYS A 87 -12.075 -5.411 10.899 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.973 -2.624 11.905 1.00 0.00 C ATOM 1394 CG LYS A 87 -13.953 -1.266 12.587 1.00 0.00 C ATOM 1395 CD LYS A 87 -15.353 -0.689 12.723 1.00 0.00 C ATOM 1396 CE LYS A 87 -15.628 0.365 11.663 1.00 0.00 C ATOM 1397 NZ LYS A 87 -14.752 1.559 11.826 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.207 -5.224 12.777 1.00 0.00 O ATOM 0 H LYS A 87 -11.267 -2.187 10.388 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.897 -2.820 12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.489 -2.534 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.550 -3.319 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.500 -1.360 13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.330 -0.579 12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.087 -1.490 12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.472 -0.250 13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.474 -0.066 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.673 0.671 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.229 2.396 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.558 1.712 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.856 1.404 11.321 1.00 0.00 H new