USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot 138:sc= 0.97 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.2 K(o=1.2,f=0.25) USER MOD Set 2.1: A 18 CYS SG : rot 25:sc= 0.42 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 0.00804 X(o=1.6,f=1.3) USER MOD Set 2.3: A 91 TYR OH : rot 180:sc= 0.204 USER MOD Set 2.4: A 93 CYS SG : rot -161:sc= 0.195 USER MOD Set 2.5: A 95 CYS SG : rot -133:sc= 0.759 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 1.18 (180deg=0.9) USER MOD Single : A 16 GLN : amide:sc= -1.69 X(o=-1.7,f=-1.4!) USER MOD Single : A 23 THR OG1 : rot -136:sc= 1.14 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc=-0.00592 (180deg=-0.14) USER MOD Single : A 47 TYR OH : rot 30:sc= 1.01 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -3:sc= -3.08! USER MOD Single : A 57 ASN : amide:sc= 0.0481 X(o=0.048,f=0) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.369 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.106) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -154:sc= 0 (180deg=-0.988) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0789 K(o=-0.079,f=-0.88) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= -0.0345 (180deg=-0.117) USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.07) USER MOD Single : A 86 SER OG : rot -36:sc= -0.0214 USER MOD Single : A 87 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.047) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc=-0.00264 X(o=-0.0026,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -5.039 -4.461 0.842 1.00 52.03 N ATOM 60 CA ILE A 5 -6.162 -4.598 1.758 1.00 63.55 C ATOM 61 C ILE A 5 -6.919 -5.903 1.543 1.00 14.15 C ATOM 62 O ILE A 5 -7.499 -6.441 2.482 1.00 34.42 O ATOM 63 CB ILE A 5 -7.151 -3.414 1.642 1.00 1.33 C ATOM 64 CG1 ILE A 5 -7.997 -3.307 2.910 1.00 71.32 C ATOM 65 CG2 ILE A 5 -8.063 -3.582 0.427 1.00 50.11 C ATOM 66 CD1 ILE A 5 -7.190 -3.353 4.184 1.00 41.02 C ATOM 0 HA ILE A 5 -5.730 -4.602 2.759 1.00 63.55 H new ATOM 0 HB ILE A 5 -6.571 -2.500 1.517 1.00 1.33 H new ATOM 0 HG12 ILE A 5 -8.562 -2.375 2.882 1.00 71.32 H new ATOM 0 HG13 ILE A 5 -8.723 -4.120 2.921 1.00 71.32 H new ATOM 0 HG21 ILE A 5 -8.749 -2.737 0.367 1.00 50.11 H new ATOM 0 HG22 ILE A 5 -7.458 -3.623 -0.479 1.00 50.11 H new ATOM 0 HG23 ILE A 5 -8.633 -4.506 0.525 1.00 50.11 H new ATOM 0 HD11 ILE A 5 -7.858 -3.272 5.041 1.00 41.02 H new ATOM 0 HD12 ILE A 5 -6.646 -4.296 4.236 1.00 41.02 H new ATOM 0 HD13 ILE A 5 -6.482 -2.524 4.196 1.00 41.02 H new ATOM 78 N GLU A 6 -6.895 -6.419 0.321 1.00 23.43 N ATOM 79 CA GLU A 6 -7.641 -7.629 0.010 1.00 41.54 C ATOM 80 C GLU A 6 -7.049 -8.786 0.783 1.00 21.14 C ATOM 81 O GLU A 6 -7.768 -9.580 1.381 1.00 14.01 O ATOM 82 CB GLU A 6 -7.634 -7.921 -1.493 1.00 14.11 C ATOM 83 CG GLU A 6 -8.338 -6.858 -2.321 1.00 61.35 C ATOM 84 CD GLU A 6 -8.468 -7.250 -3.777 1.00 51.13 C ATOM 85 OE1 GLU A 6 -9.403 -8.009 -4.112 1.00 5.34 O ATOM 86 OE2 GLU A 6 -7.634 -6.803 -4.595 1.00 33.01 O ATOM 0 H GLU A 6 -6.374 -6.024 -0.462 1.00 23.43 H new ATOM 0 HA GLU A 6 -8.681 -7.487 0.304 1.00 41.54 H new ATOM 0 HB2 GLU A 6 -6.602 -8.011 -1.833 1.00 14.11 H new ATOM 0 HB3 GLU A 6 -8.113 -8.884 -1.670 1.00 14.11 H new ATOM 0 HG2 GLU A 6 -9.330 -6.677 -1.907 1.00 61.35 H new ATOM 0 HG3 GLU A 6 -7.786 -5.921 -2.248 1.00 61.35 H new ATOM 93 N HIS A 7 -5.729 -8.839 0.808 1.00 72.53 N ATOM 94 CA HIS A 7 -5.024 -9.830 1.597 1.00 63.45 C ATOM 95 C HIS A 7 -5.435 -9.727 3.060 1.00 42.13 C ATOM 96 O HIS A 7 -5.706 -10.736 3.706 1.00 52.25 O ATOM 97 CB HIS A 7 -3.513 -9.645 1.459 1.00 52.13 C ATOM 98 CG HIS A 7 -2.974 -10.023 0.116 1.00 12.15 C ATOM 99 ND1 HIS A 7 -3.128 -9.265 -1.024 1.00 51.23 N ATOM 100 CD2 HIS A 7 -2.259 -11.113 -0.256 1.00 44.31 C ATOM 101 CE1 HIS A 7 -2.515 -9.902 -2.027 1.00 53.32 C ATOM 102 NE2 HIS A 7 -1.968 -11.030 -1.614 1.00 34.33 N ATOM 0 H HIS A 7 -5.123 -8.204 0.288 1.00 72.53 H new ATOM 0 HA HIS A 7 -5.288 -10.821 1.227 1.00 63.45 H new ATOM 0 HB2 HIS A 7 -3.265 -8.602 1.658 1.00 52.13 H new ATOM 0 HB3 HIS A 7 -3.013 -10.243 2.221 1.00 52.13 H new ATOM 0 HD2 HIS A 7 -1.962 -11.919 0.399 1.00 44.31 H new ATOM 0 HE1 HIS A 7 -2.473 -9.540 -3.044 1.00 53.32 H new ATOM 0 HE2 HIS A 7 -1.442 -11.701 -2.174 1.00 34.33 H new ATOM 110 N LYS A 8 -5.512 -8.497 3.563 1.00 60.41 N ATOM 111 CA LYS A 8 -5.883 -8.258 4.955 1.00 0.24 C ATOM 112 C LYS A 8 -7.291 -8.763 5.217 1.00 13.43 C ATOM 113 O LYS A 8 -7.520 -9.508 6.169 1.00 12.45 O ATOM 114 CB LYS A 8 -5.821 -6.765 5.292 1.00 4.44 C ATOM 115 CG LYS A 8 -4.596 -6.051 4.748 1.00 0.52 C ATOM 116 CD LYS A 8 -3.311 -6.717 5.196 1.00 11.45 C ATOM 117 CE LYS A 8 -2.098 -6.008 4.623 1.00 31.44 C ATOM 118 NZ LYS A 8 -0.829 -6.604 5.116 1.00 1.41 N ATOM 0 H LYS A 8 -5.322 -7.650 3.027 1.00 60.41 H new ATOM 0 HA LYS A 8 -5.173 -8.795 5.584 1.00 0.24 H new ATOM 0 HB2 LYS A 8 -6.714 -6.279 4.900 1.00 4.44 H new ATOM 0 HB3 LYS A 8 -5.844 -6.648 6.375 1.00 4.44 H new ATOM 0 HG2 LYS A 8 -4.637 -6.037 3.659 1.00 0.52 H new ATOM 0 HG3 LYS A 8 -4.603 -5.013 5.081 1.00 0.52 H new ATOM 0 HD2 LYS A 8 -3.257 -6.714 6.285 1.00 11.45 H new ATOM 0 HD3 LYS A 8 -3.309 -7.760 4.880 1.00 11.45 H new ATOM 0 HE2 LYS A 8 -2.126 -6.061 3.535 1.00 31.44 H new ATOM 0 HE3 LYS A 8 -2.133 -4.952 4.892 1.00 31.44 H new ATOM 0 HZ1 LYS A 8 -0.022 -6.094 4.703 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.791 -6.531 6.153 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -0.784 -7.605 4.838 1.00 1.41 H new ATOM 132 N VAL A 9 -8.224 -8.340 4.362 1.00 2.20 N ATOM 133 CA VAL A 9 -9.617 -8.754 4.456 1.00 50.04 C ATOM 134 C VAL A 9 -9.736 -10.265 4.608 1.00 11.34 C ATOM 135 O VAL A 9 -10.372 -10.755 5.541 1.00 62.32 O ATOM 136 CB VAL A 9 -10.418 -8.300 3.216 1.00 24.15 C ATOM 137 CG1 VAL A 9 -11.805 -8.920 3.205 1.00 21.04 C ATOM 138 CG2 VAL A 9 -10.526 -6.786 3.178 1.00 33.11 C ATOM 0 H VAL A 9 -8.032 -7.703 3.589 1.00 2.20 H new ATOM 0 HA VAL A 9 -10.033 -8.276 5.343 1.00 50.04 H new ATOM 0 HB VAL A 9 -9.883 -8.640 2.329 1.00 24.15 H new ATOM 0 HG11 VAL A 9 -12.347 -8.583 2.321 1.00 21.04 H new ATOM 0 HG12 VAL A 9 -11.718 -10.006 3.185 1.00 21.04 H new ATOM 0 HG13 VAL A 9 -12.347 -8.616 4.101 1.00 21.04 H new ATOM 0 HG21 VAL A 9 -11.093 -6.484 2.298 1.00 33.11 H new ATOM 0 HG22 VAL A 9 -11.035 -6.435 4.076 1.00 33.11 H new ATOM 0 HG23 VAL A 9 -9.528 -6.351 3.133 1.00 33.11 H new ATOM 148 N TYR A 10 -9.103 -11.003 3.708 1.00 10.23 N ATOM 149 CA TYR A 10 -9.159 -12.453 3.753 1.00 15.43 C ATOM 150 C TYR A 10 -8.501 -12.971 5.021 1.00 44.11 C ATOM 151 O TYR A 10 -9.069 -13.807 5.711 1.00 41.40 O ATOM 152 CB TYR A 10 -8.491 -13.068 2.520 1.00 32.44 C ATOM 153 CG TYR A 10 -9.296 -12.932 1.243 1.00 63.14 C ATOM 154 CD1 TYR A 10 -9.468 -11.698 0.639 1.00 62.31 C ATOM 155 CD2 TYR A 10 -9.882 -14.040 0.643 1.00 12.31 C ATOM 156 CE1 TYR A 10 -10.194 -11.562 -0.522 1.00 31.30 C ATOM 157 CE2 TYR A 10 -10.614 -13.913 -0.523 1.00 42.34 C ATOM 158 CZ TYR A 10 -10.767 -12.672 -1.102 1.00 62.45 C ATOM 159 OH TYR A 10 -11.501 -12.539 -2.259 1.00 40.44 O ATOM 0 H TYR A 10 -8.548 -10.622 2.942 1.00 10.23 H new ATOM 0 HA TYR A 10 -10.208 -12.749 3.755 1.00 15.43 H new ATOM 0 HB2 TYR A 10 -7.519 -12.597 2.375 1.00 32.44 H new ATOM 0 HB3 TYR A 10 -8.308 -14.126 2.710 1.00 32.44 H new ATOM 0 HD1 TYR A 10 -9.023 -10.823 1.089 1.00 62.31 H new ATOM 0 HD2 TYR A 10 -9.764 -15.014 1.094 1.00 12.31 H new ATOM 0 HE1 TYR A 10 -10.314 -10.590 -0.976 1.00 31.30 H new ATOM 0 HE2 TYR A 10 -11.064 -14.783 -0.978 1.00 42.34 H new ATOM 0 HH TYR A 10 -11.835 -13.417 -2.537 1.00 40.44 H new ATOM 169 N GLN A 11 -7.330 -12.425 5.349 1.00 40.24 N ATOM 170 CA GLN A 11 -6.525 -12.907 6.474 1.00 73.11 C ATOM 171 C GLN A 11 -7.325 -13.021 7.769 1.00 72.24 C ATOM 172 O GLN A 11 -7.141 -13.965 8.535 1.00 45.43 O ATOM 173 CB GLN A 11 -5.314 -11.999 6.705 1.00 22.43 C ATOM 174 CG GLN A 11 -4.157 -12.251 5.751 1.00 31.15 C ATOM 175 CD GLN A 11 -3.532 -13.621 5.932 1.00 22.40 C ATOM 176 OE1 GLN A 11 -2.616 -13.796 6.736 1.00 22.15 O ATOM 177 NE2 GLN A 11 -4.010 -14.595 5.175 1.00 23.35 N ATOM 0 H GLN A 11 -6.914 -11.641 4.847 1.00 40.24 H new ATOM 0 HA GLN A 11 -6.191 -13.908 6.201 1.00 73.11 H new ATOM 0 HB2 GLN A 11 -5.629 -10.960 6.610 1.00 22.43 H new ATOM 0 HB3 GLN A 11 -4.963 -12.133 7.728 1.00 22.43 H new ATOM 0 HG2 GLN A 11 -4.510 -12.151 4.725 1.00 31.15 H new ATOM 0 HG3 GLN A 11 -3.395 -11.486 5.902 1.00 31.15 H new ATOM 0 HE21 GLN A 11 -4.770 -14.407 4.521 1.00 23.35 H new ATOM 0 HE22 GLN A 11 -3.618 -15.534 5.245 1.00 23.35 H new ATOM 186 N LEU A 12 -8.200 -12.066 8.020 1.00 52.02 N ATOM 187 CA LEU A 12 -8.988 -12.090 9.240 1.00 22.20 C ATOM 188 C LEU A 12 -10.397 -12.607 9.004 1.00 0.40 C ATOM 189 O LEU A 12 -10.848 -13.484 9.726 1.00 2.13 O ATOM 190 CB LEU A 12 -9.009 -10.709 9.909 1.00 52.51 C ATOM 191 CG LEU A 12 -8.734 -9.508 8.995 1.00 25.23 C ATOM 192 CD1 LEU A 12 -9.979 -9.105 8.227 1.00 62.51 C ATOM 193 CD2 LEU A 12 -8.201 -8.336 9.803 1.00 10.32 C ATOM 0 H LEU A 12 -8.383 -11.273 7.405 1.00 52.02 H new ATOM 0 HA LEU A 12 -8.503 -12.791 9.920 1.00 22.20 H new ATOM 0 HB2 LEU A 12 -9.985 -10.569 10.374 1.00 52.51 H new ATOM 0 HB3 LEU A 12 -8.270 -10.706 10.710 1.00 52.51 H new ATOM 0 HG LEU A 12 -7.976 -9.804 8.270 1.00 25.23 H new ATOM 0 HD11 LEU A 12 -9.752 -8.251 7.588 1.00 62.51 H new ATOM 0 HD12 LEU A 12 -10.313 -9.940 7.611 1.00 62.51 H new ATOM 0 HD13 LEU A 12 -10.768 -8.833 8.929 1.00 62.51 H new ATOM 0 HD21 LEU A 12 -8.011 -7.493 9.139 1.00 10.32 H new ATOM 0 HD22 LEU A 12 -8.936 -8.048 10.555 1.00 10.32 H new ATOM 0 HD23 LEU A 12 -7.273 -8.626 10.296 1.00 10.32 H new ATOM 205 N LEU A 13 -11.081 -12.098 7.987 1.00 33.33 N ATOM 206 CA LEU A 13 -12.489 -12.440 7.776 1.00 4.20 C ATOM 207 C LEU A 13 -12.696 -13.934 7.582 1.00 41.13 C ATOM 208 O LEU A 13 -13.625 -14.512 8.151 1.00 23.30 O ATOM 209 CB LEU A 13 -13.075 -11.697 6.580 1.00 41.13 C ATOM 210 CG LEU A 13 -13.162 -10.182 6.724 1.00 11.21 C ATOM 211 CD1 LEU A 13 -14.006 -9.611 5.605 1.00 73.01 C ATOM 212 CD2 LEU A 13 -13.753 -9.805 8.068 1.00 34.23 C ATOM 0 H LEU A 13 -10.692 -11.453 7.299 1.00 33.33 H new ATOM 0 HA LEU A 13 -13.010 -12.131 8.682 1.00 4.20 H new ATOM 0 HB2 LEU A 13 -12.472 -11.926 5.701 1.00 41.13 H new ATOM 0 HB3 LEU A 13 -14.076 -12.084 6.389 1.00 41.13 H new ATOM 0 HG LEU A 13 -12.156 -9.766 6.664 1.00 11.21 H new ATOM 0 HD11 LEU A 13 -14.066 -8.528 5.711 1.00 73.01 H new ATOM 0 HD12 LEU A 13 -13.552 -9.857 4.645 1.00 73.01 H new ATOM 0 HD13 LEU A 13 -15.008 -10.036 5.652 1.00 73.01 H new ATOM 0 HD21 LEU A 13 -13.806 -8.719 8.150 1.00 34.23 H new ATOM 0 HD22 LEU A 13 -14.755 -10.225 8.156 1.00 34.23 H new ATOM 0 HD23 LEU A 13 -13.123 -10.199 8.866 1.00 34.23 H new ATOM 224 N LYS A 14 -11.839 -14.556 6.781 1.00 54.34 N ATOM 225 CA LYS A 14 -11.943 -15.993 6.527 1.00 52.32 C ATOM 226 C LYS A 14 -11.676 -16.770 7.814 1.00 41.20 C ATOM 227 O LYS A 14 -12.199 -17.864 8.020 1.00 32.14 O ATOM 228 CB LYS A 14 -10.966 -16.433 5.425 1.00 14.44 C ATOM 229 CG LYS A 14 -9.533 -16.599 5.896 1.00 12.51 C ATOM 230 CD LYS A 14 -8.603 -16.947 4.747 1.00 45.32 C ATOM 231 CE LYS A 14 -7.152 -16.975 5.194 1.00 15.22 C ATOM 232 NZ LYS A 14 -6.928 -17.940 6.302 1.00 65.34 N ATOM 0 H LYS A 14 -11.068 -14.094 6.298 1.00 54.34 H new ATOM 0 HA LYS A 14 -12.955 -16.208 6.183 1.00 52.32 H new ATOM 0 HB2 LYS A 14 -11.311 -17.378 5.005 1.00 14.44 H new ATOM 0 HB3 LYS A 14 -10.989 -15.699 4.620 1.00 14.44 H new ATOM 0 HG2 LYS A 14 -9.196 -15.677 6.371 1.00 12.51 H new ATOM 0 HG3 LYS A 14 -9.487 -17.382 6.652 1.00 12.51 H new ATOM 0 HD2 LYS A 14 -8.877 -17.919 4.337 1.00 45.32 H new ATOM 0 HD3 LYS A 14 -8.724 -16.218 3.946 1.00 45.32 H new ATOM 0 HE2 LYS A 14 -6.517 -17.241 4.348 1.00 15.22 H new ATOM 0 HE3 LYS A 14 -6.853 -15.978 5.516 1.00 15.22 H new ATOM 0 HZ1 LYS A 14 -5.948 -18.287 6.268 1.00 65.34 H new ATOM 0 HZ2 LYS A 14 -7.096 -17.468 7.213 1.00 65.34 H new ATOM 0 HZ3 LYS A 14 -7.583 -18.742 6.202 1.00 65.34 H new ATOM 246 N ASP A 15 -10.881 -16.169 8.688 1.00 22.11 N ATOM 247 CA ASP A 15 -10.502 -16.783 9.949 1.00 33.11 C ATOM 248 C ASP A 15 -11.525 -16.477 11.037 1.00 24.55 C ATOM 249 O ASP A 15 -11.510 -17.084 12.109 1.00 75.20 O ATOM 250 CB ASP A 15 -9.116 -16.291 10.360 1.00 31.35 C ATOM 251 CG ASP A 15 -8.018 -17.267 9.981 1.00 62.14 C ATOM 252 OD1 ASP A 15 -7.799 -17.490 8.771 1.00 13.02 O ATOM 253 OD2 ASP A 15 -7.356 -17.806 10.895 1.00 11.41 O ATOM 0 H ASP A 15 -10.482 -15.242 8.541 1.00 22.11 H new ATOM 0 HA ASP A 15 -10.474 -17.865 9.818 1.00 33.11 H new ATOM 0 HB2 ASP A 15 -8.921 -15.328 9.888 1.00 31.35 H new ATOM 0 HB3 ASP A 15 -9.097 -16.127 11.437 1.00 31.35 H new ATOM 258 N GLN A 16 -12.404 -15.519 10.765 1.00 41.03 N ATOM 259 CA GLN A 16 -13.518 -15.229 11.659 1.00 32.04 C ATOM 260 C GLN A 16 -14.643 -16.202 11.392 1.00 74.14 C ATOM 261 O GLN A 16 -15.430 -16.534 12.275 1.00 13.22 O ATOM 262 CB GLN A 16 -14.050 -13.809 11.456 1.00 52.21 C ATOM 263 CG GLN A 16 -12.992 -12.744 11.511 1.00 24.33 C ATOM 264 CD GLN A 16 -13.564 -11.384 11.839 1.00 23.42 C ATOM 265 OE1 GLN A 16 -14.551 -11.263 12.561 1.00 53.32 O ATOM 266 NE2 GLN A 16 -12.960 -10.354 11.285 1.00 34.23 N ATOM 0 H GLN A 16 -12.366 -14.930 9.933 1.00 41.03 H new ATOM 0 HA GLN A 16 -13.154 -15.324 12.682 1.00 32.04 H new ATOM 0 HB2 GLN A 16 -14.554 -13.756 10.491 1.00 52.21 H new ATOM 0 HB3 GLN A 16 -14.800 -13.601 12.219 1.00 52.21 H new ATOM 0 HG2 GLN A 16 -12.247 -13.013 12.260 1.00 24.33 H new ATOM 0 HG3 GLN A 16 -12.476 -12.697 10.552 1.00 24.33 H new ATOM 0 HE21 GLN A 16 -12.143 -10.500 10.692 1.00 34.23 H new ATOM 0 HE22 GLN A 16 -13.309 -9.410 11.449 1.00 34.23 H new ATOM 275 N GLY A 17 -14.700 -16.661 10.160 1.00 11.10 N ATOM 276 CA GLY A 17 -15.789 -17.499 9.739 1.00 41.31 C ATOM 277 C GLY A 17 -16.608 -16.840 8.658 1.00 24.25 C ATOM 278 O GLY A 17 -17.821 -17.043 8.569 1.00 33.03 O ATOM 0 H GLY A 17 -14.005 -16.466 9.439 1.00 11.10 H new ATOM 0 HA2 GLY A 17 -15.398 -18.448 9.373 1.00 41.31 H new ATOM 0 HA3 GLY A 17 -16.427 -17.725 10.593 1.00 41.31 H new ATOM 282 N CYS A 18 -15.963 -16.007 7.857 1.00 10.42 N ATOM 283 CA CYS A 18 -16.622 -15.434 6.696 1.00 63.25 C ATOM 284 C CYS A 18 -15.860 -15.799 5.432 1.00 4.40 C ATOM 285 O CYS A 18 -14.639 -15.711 5.402 1.00 42.35 O ATOM 286 CB CYS A 18 -16.703 -13.909 6.813 1.00 25.12 C ATOM 287 SG CYS A 18 -18.051 -13.176 5.835 1.00 14.23 S ATOM 0 H CYS A 18 -14.994 -15.715 7.988 1.00 10.42 H new ATOM 0 HA CYS A 18 -17.633 -15.839 6.646 1.00 63.25 H new ATOM 0 HB2 CYS A 18 -16.837 -13.640 7.861 1.00 25.12 H new ATOM 0 HB3 CYS A 18 -15.755 -13.477 6.492 1.00 25.12 H new ATOM 0 HG CYS A 18 -18.985 -14.061 5.652 1.00 14.23 H new ATOM 292 N GLU A 19 -16.569 -16.225 4.401 1.00 54.03 N ATOM 293 CA GLU A 19 -15.945 -16.409 3.091 1.00 34.13 C ATOM 294 C GLU A 19 -16.663 -15.557 2.052 1.00 11.04 C ATOM 295 O GLU A 19 -16.276 -15.502 0.886 1.00 44.14 O ATOM 296 CB GLU A 19 -15.961 -17.883 2.664 1.00 20.10 C ATOM 297 CG GLU A 19 -17.331 -18.398 2.249 1.00 34.42 C ATOM 298 CD GLU A 19 -18.306 -18.435 3.398 1.00 64.11 C ATOM 299 OE1 GLU A 19 -18.331 -19.442 4.135 1.00 5.53 O ATOM 300 OE2 GLU A 19 -19.034 -17.445 3.584 1.00 51.33 O ATOM 0 H GLU A 19 -17.563 -16.449 4.438 1.00 54.03 H new ATOM 0 HA GLU A 19 -14.904 -16.093 3.165 1.00 34.13 H new ATOM 0 HB2 GLU A 19 -15.268 -18.016 1.833 1.00 20.10 H new ATOM 0 HB3 GLU A 19 -15.591 -18.492 3.488 1.00 20.10 H new ATOM 0 HG2 GLU A 19 -17.730 -17.763 1.458 1.00 34.42 H new ATOM 0 HG3 GLU A 19 -17.228 -19.400 1.832 1.00 34.42 H new ATOM 307 N ASP A 20 -17.699 -14.871 2.505 1.00 61.33 N ATOM 308 CA ASP A 20 -18.577 -14.127 1.624 1.00 45.13 C ATOM 309 C ASP A 20 -18.146 -12.668 1.539 1.00 12.02 C ATOM 310 O ASP A 20 -18.625 -11.816 2.293 1.00 61.23 O ATOM 311 CB ASP A 20 -20.021 -14.228 2.120 1.00 52.03 C ATOM 312 CG ASP A 20 -21.019 -13.631 1.149 1.00 31.22 C ATOM 313 OD1 ASP A 20 -21.274 -12.414 1.218 1.00 33.22 O ATOM 314 OD2 ASP A 20 -21.568 -14.385 0.324 1.00 43.53 O ATOM 0 H ASP A 20 -17.953 -14.815 3.491 1.00 61.33 H new ATOM 0 HA ASP A 20 -18.514 -14.558 0.625 1.00 45.13 H new ATOM 0 HB2 ASP A 20 -20.269 -15.276 2.291 1.00 52.03 H new ATOM 0 HB3 ASP A 20 -20.107 -13.720 3.080 1.00 52.03 H new ATOM 319 N PHE A 21 -17.189 -12.406 0.661 1.00 63.00 N ATOM 320 CA PHE A 21 -16.706 -11.049 0.403 1.00 21.23 C ATOM 321 C PHE A 21 -15.884 -10.990 -0.883 1.00 11.34 C ATOM 322 O PHE A 21 -15.431 -12.019 -1.391 1.00 61.03 O ATOM 323 CB PHE A 21 -15.884 -10.514 1.588 1.00 24.43 C ATOM 324 CG PHE A 21 -14.968 -11.524 2.224 1.00 22.30 C ATOM 325 CD1 PHE A 21 -13.719 -11.806 1.689 1.00 71.44 C ATOM 326 CD2 PHE A 21 -15.359 -12.184 3.375 1.00 72.12 C ATOM 327 CE1 PHE A 21 -12.883 -12.728 2.293 1.00 13.41 C ATOM 328 CE2 PHE A 21 -14.532 -13.106 3.977 1.00 64.33 C ATOM 329 CZ PHE A 21 -13.292 -13.382 3.440 1.00 42.44 C ATOM 0 H PHE A 21 -16.723 -13.124 0.106 1.00 63.00 H new ATOM 0 HA PHE A 21 -17.581 -10.411 0.280 1.00 21.23 H new ATOM 0 HB2 PHE A 21 -15.288 -9.667 1.247 1.00 24.43 H new ATOM 0 HB3 PHE A 21 -16.569 -10.136 2.347 1.00 24.43 H new ATOM 0 HD1 PHE A 21 -13.396 -11.300 0.791 1.00 71.44 H new ATOM 0 HD2 PHE A 21 -16.326 -11.973 3.807 1.00 72.12 H new ATOM 0 HE1 PHE A 21 -11.912 -12.937 1.869 1.00 13.41 H new ATOM 0 HE2 PHE A 21 -14.856 -13.615 4.873 1.00 64.33 H new ATOM 0 HZ PHE A 21 -12.644 -14.105 3.913 1.00 42.44 H new ATOM 339 N GLY A 22 -15.718 -9.784 -1.409 1.00 41.11 N ATOM 340 CA GLY A 22 -14.952 -9.590 -2.624 1.00 0.42 C ATOM 341 C GLY A 22 -14.846 -8.124 -2.995 1.00 32.23 C ATOM 342 O GLY A 22 -15.339 -7.265 -2.269 1.00 42.43 O ATOM 0 H GLY A 22 -16.105 -8.928 -1.011 1.00 41.11 H new ATOM 0 HA2 GLY A 22 -13.953 -10.005 -2.494 1.00 0.42 H new ATOM 0 HA3 GLY A 22 -15.421 -10.139 -3.441 1.00 0.42 H new ATOM 346 N THR A 23 -14.219 -7.832 -4.124 1.00 23.04 N ATOM 347 CA THR A 23 -14.037 -6.456 -4.564 1.00 41.15 C ATOM 348 C THR A 23 -14.624 -6.244 -5.958 1.00 65.20 C ATOM 349 O THR A 23 -14.587 -7.144 -6.798 1.00 74.22 O ATOM 350 CB THR A 23 -12.540 -6.072 -4.572 1.00 73.40 C ATOM 351 OG1 THR A 23 -11.768 -7.108 -5.201 1.00 11.21 O ATOM 352 CG2 THR A 23 -12.028 -5.836 -3.159 1.00 14.33 C ATOM 0 H THR A 23 -13.826 -8.531 -4.754 1.00 23.04 H new ATOM 0 HA THR A 23 -14.564 -5.816 -3.857 1.00 41.15 H new ATOM 0 HB THR A 23 -12.432 -5.146 -5.136 1.00 73.40 H new ATOM 0 HG1 THR A 23 -10.958 -7.277 -4.676 1.00 11.21 H new ATOM 0 HG21 THR A 23 -10.972 -5.567 -3.195 1.00 14.33 H new ATOM 0 HG22 THR A 23 -12.593 -5.026 -2.698 1.00 14.33 H new ATOM 0 HG23 THR A 23 -12.151 -6.745 -2.571 1.00 14.33 H new ATOM 360 N LYS A 24 -15.181 -5.063 -6.197 1.00 62.43 N ATOM 361 CA LYS A 24 -15.696 -4.722 -7.515 1.00 74.23 C ATOM 362 C LYS A 24 -15.088 -3.414 -8.001 1.00 60.32 C ATOM 363 O LYS A 24 -14.723 -2.550 -7.200 1.00 45.23 O ATOM 364 CB LYS A 24 -17.229 -4.604 -7.510 1.00 32.44 C ATOM 365 CG LYS A 24 -17.769 -3.399 -6.746 1.00 62.10 C ATOM 366 CD LYS A 24 -19.209 -3.102 -7.136 1.00 62.31 C ATOM 367 CE LYS A 24 -19.798 -1.960 -6.322 1.00 74.32 C ATOM 368 NZ LYS A 24 -21.226 -1.714 -6.660 1.00 60.22 N ATOM 0 H LYS A 24 -15.287 -4.328 -5.497 1.00 62.43 H new ATOM 0 HA LYS A 24 -15.416 -5.529 -8.192 1.00 74.23 H new ATOM 0 HB2 LYS A 24 -17.580 -4.552 -8.541 1.00 32.44 H new ATOM 0 HB3 LYS A 24 -17.649 -5.511 -7.076 1.00 32.44 H new ATOM 0 HG2 LYS A 24 -17.711 -3.589 -5.674 1.00 62.10 H new ATOM 0 HG3 LYS A 24 -17.147 -2.527 -6.949 1.00 62.10 H new ATOM 0 HD2 LYS A 24 -19.253 -2.851 -8.196 1.00 62.31 H new ATOM 0 HD3 LYS A 24 -19.814 -3.997 -6.995 1.00 62.31 H new ATOM 0 HE2 LYS A 24 -19.711 -2.189 -5.260 1.00 74.32 H new ATOM 0 HE3 LYS A 24 -19.221 -1.052 -6.501 1.00 74.32 H new ATOM 0 HZ1 LYS A 24 -21.694 -1.235 -5.864 1.00 60.22 H new ATOM 0 HZ2 LYS A 24 -21.284 -1.114 -7.508 1.00 60.22 H new ATOM 0 HZ3 LYS A 24 -21.700 -2.621 -6.845 1.00 60.22 H new ATOM 743 N TYR A 47 -15.355 7.549 -13.858 1.00 20.51 N ATOM 744 CA TYR A 47 -14.609 7.236 -12.657 1.00 44.44 C ATOM 745 C TYR A 47 -14.723 5.773 -12.295 1.00 62.21 C ATOM 746 O TYR A 47 -15.736 5.123 -12.557 1.00 61.04 O ATOM 747 CB TYR A 47 -15.083 8.105 -11.492 1.00 41.32 C ATOM 748 CG TYR A 47 -14.634 9.544 -11.588 1.00 42.12 C ATOM 749 CD1 TYR A 47 -15.324 10.463 -12.366 1.00 35.51 C ATOM 750 CD2 TYR A 47 -13.503 9.977 -10.912 1.00 74.31 C ATOM 751 CE1 TYR A 47 -14.902 11.775 -12.463 1.00 40.13 C ATOM 752 CE2 TYR A 47 -13.072 11.285 -11.006 1.00 62.23 C ATOM 753 CZ TYR A 47 -13.774 12.181 -11.783 1.00 50.22 C ATOM 754 OH TYR A 47 -13.339 13.484 -11.887 1.00 73.40 O ATOM 0 HA TYR A 47 -13.559 7.450 -12.858 1.00 44.44 H new ATOM 0 HB2 TYR A 47 -16.172 8.075 -11.447 1.00 41.32 H new ATOM 0 HB3 TYR A 47 -14.714 7.680 -10.559 1.00 41.32 H new ATOM 0 HD1 TYR A 47 -16.205 10.147 -12.905 1.00 35.51 H new ATOM 0 HD2 TYR A 47 -12.950 9.279 -10.301 1.00 74.31 H new ATOM 0 HE1 TYR A 47 -15.453 12.479 -13.069 1.00 40.13 H new ATOM 0 HE2 TYR A 47 -12.189 11.605 -10.473 1.00 62.23 H new ATOM 0 HH TYR A 47 -14.106 14.074 -12.040 1.00 73.40 H new ATOM 764 N TYR A 48 -13.662 5.268 -11.705 1.00 45.21 N ATOM 765 CA TYR A 48 -13.618 3.905 -11.225 1.00 15.25 C ATOM 766 C TYR A 48 -14.248 3.813 -9.849 1.00 12.22 C ATOM 767 O TYR A 48 -13.695 4.311 -8.867 1.00 54.20 O ATOM 768 CB TYR A 48 -12.174 3.402 -11.172 1.00 52.04 C ATOM 769 CG TYR A 48 -11.724 2.695 -12.428 1.00 73.11 C ATOM 770 CD1 TYR A 48 -12.262 3.012 -13.668 1.00 0.54 C ATOM 771 CD2 TYR A 48 -10.764 1.699 -12.365 1.00 60.41 C ATOM 772 CE1 TYR A 48 -11.855 2.350 -14.810 1.00 34.43 C ATOM 773 CE2 TYR A 48 -10.353 1.031 -13.499 1.00 31.22 C ATOM 774 CZ TYR A 48 -10.897 1.361 -14.720 1.00 52.02 C ATOM 775 OH TYR A 48 -10.498 0.685 -15.851 1.00 50.05 O ATOM 0 H TYR A 48 -12.803 5.793 -11.544 1.00 45.21 H new ATOM 0 HA TYR A 48 -14.182 3.278 -11.916 1.00 15.25 H new ATOM 0 HB2 TYR A 48 -11.512 4.248 -10.986 1.00 52.04 H new ATOM 0 HB3 TYR A 48 -12.068 2.722 -10.327 1.00 52.04 H new ATOM 0 HD1 TYR A 48 -13.010 3.788 -13.741 1.00 0.54 H new ATOM 0 HD2 TYR A 48 -10.329 1.441 -11.411 1.00 60.41 H new ATOM 0 HE1 TYR A 48 -12.284 2.605 -15.768 1.00 34.43 H new ATOM 0 HE2 TYR A 48 -9.608 0.252 -13.430 1.00 31.22 H new ATOM 0 HH TYR A 48 -9.816 0.022 -15.613 1.00 50.05 H new ATOM 785 N GLY A 49 -15.417 3.203 -9.789 1.00 34.14 N ATOM 786 CA GLY A 49 -16.071 2.983 -8.523 1.00 23.34 C ATOM 787 C GLY A 49 -15.588 1.710 -7.863 1.00 73.32 C ATOM 788 O GLY A 49 -16.299 0.701 -7.841 1.00 62.55 O ATOM 0 H GLY A 49 -15.927 2.854 -10.601 1.00 34.14 H new ATOM 0 HA2 GLY A 49 -15.883 3.830 -7.863 1.00 23.34 H new ATOM 0 HA3 GLY A 49 -17.149 2.929 -8.674 1.00 23.34 H new ATOM 792 N PHE A 50 -14.362 1.746 -7.360 1.00 33.34 N ATOM 793 CA PHE A 50 -13.809 0.621 -6.627 1.00 41.22 C ATOM 794 C PHE A 50 -14.528 0.478 -5.304 1.00 13.33 C ATOM 795 O PHE A 50 -14.552 1.405 -4.497 1.00 34.42 O ATOM 796 CB PHE A 50 -12.314 0.800 -6.382 1.00 63.12 C ATOM 797 CG PHE A 50 -11.454 0.014 -7.324 1.00 50.21 C ATOM 798 CD1 PHE A 50 -11.204 -1.331 -7.094 1.00 74.44 C ATOM 799 CD2 PHE A 50 -10.890 0.615 -8.435 1.00 10.34 C ATOM 800 CE1 PHE A 50 -10.409 -2.060 -7.956 1.00 60.25 C ATOM 801 CE2 PHE A 50 -10.095 -0.108 -9.296 1.00 3.40 C ATOM 802 CZ PHE A 50 -9.852 -1.447 -9.058 1.00 5.13 C ATOM 0 H PHE A 50 -13.733 2.544 -7.447 1.00 33.34 H new ATOM 0 HA PHE A 50 -13.949 -0.279 -7.226 1.00 41.22 H new ATOM 0 HB2 PHE A 50 -12.064 1.857 -6.471 1.00 63.12 H new ATOM 0 HB3 PHE A 50 -12.084 0.503 -5.359 1.00 63.12 H new ATOM 0 HD1 PHE A 50 -11.636 -1.814 -6.230 1.00 74.44 H new ATOM 0 HD2 PHE A 50 -11.075 1.661 -8.629 1.00 10.34 H new ATOM 0 HE1 PHE A 50 -10.224 -3.107 -7.767 1.00 60.25 H new ATOM 0 HE2 PHE A 50 -9.660 0.373 -10.160 1.00 3.40 H new ATOM 0 HZ PHE A 50 -9.227 -2.012 -9.734 1.00 5.13 H new ATOM 812 N SER A 51 -15.129 -0.670 -5.085 1.00 53.03 N ATOM 813 CA SER A 51 -15.885 -0.876 -3.876 1.00 42.13 C ATOM 814 C SER A 51 -15.709 -2.298 -3.362 1.00 11.03 C ATOM 815 O SER A 51 -15.612 -3.248 -4.142 1.00 23.33 O ATOM 816 CB SER A 51 -17.356 -0.568 -4.142 1.00 53.34 C ATOM 817 OG SER A 51 -18.067 -0.390 -2.936 1.00 24.14 O ATOM 0 H SER A 51 -15.108 -1.466 -5.722 1.00 53.03 H new ATOM 0 HA SER A 51 -15.515 -0.202 -3.103 1.00 42.13 H new ATOM 0 HB2 SER A 51 -17.437 0.332 -4.751 1.00 53.34 H new ATOM 0 HB3 SER A 51 -17.803 -1.381 -4.714 1.00 53.34 H new ATOM 0 HG SER A 51 -17.470 -0.557 -2.177 1.00 24.14 H new ATOM 823 N PHE A 52 -15.650 -2.434 -2.050 1.00 73.23 N ATOM 824 CA PHE A 52 -15.534 -3.734 -1.431 1.00 30.34 C ATOM 825 C PHE A 52 -16.905 -4.244 -1.019 1.00 25.14 C ATOM 826 O PHE A 52 -17.635 -3.564 -0.283 1.00 62.42 O ATOM 827 CB PHE A 52 -14.626 -3.688 -0.205 1.00 54.22 C ATOM 828 CG PHE A 52 -14.471 -5.038 0.427 1.00 50.40 C ATOM 829 CD1 PHE A 52 -13.474 -5.902 0.010 1.00 50.02 C ATOM 830 CD2 PHE A 52 -15.337 -5.450 1.425 1.00 10.40 C ATOM 831 CE1 PHE A 52 -13.346 -7.153 0.577 1.00 42.32 C ATOM 832 CE2 PHE A 52 -15.212 -6.696 1.998 1.00 43.41 C ATOM 833 CZ PHE A 52 -14.218 -7.549 1.573 1.00 22.33 C ATOM 0 H PHE A 52 -15.681 -1.654 -1.393 1.00 73.23 H new ATOM 0 HA PHE A 52 -15.094 -4.409 -2.165 1.00 30.34 H new ATOM 0 HB2 PHE A 52 -13.646 -3.307 -0.493 1.00 54.22 H new ATOM 0 HB3 PHE A 52 -15.037 -2.990 0.525 1.00 54.22 H new ATOM 0 HD1 PHE A 52 -12.790 -5.594 -0.767 1.00 50.02 H new ATOM 0 HD2 PHE A 52 -16.121 -4.786 1.759 1.00 10.40 H new ATOM 0 HE1 PHE A 52 -12.566 -7.821 0.243 1.00 42.32 H new ATOM 0 HE2 PHE A 52 -15.892 -7.003 2.779 1.00 43.41 H new ATOM 0 HZ PHE A 52 -14.120 -8.528 2.018 1.00 22.33 H new ATOM 843 N PHE A 53 -17.219 -5.451 -1.469 1.00 43.43 N ATOM 844 CA PHE A 53 -18.481 -6.099 -1.166 1.00 21.44 C ATOM 845 C PHE A 53 -18.313 -7.149 -0.083 1.00 32.04 C ATOM 846 O PHE A 53 -17.347 -7.912 -0.078 1.00 55.30 O ATOM 847 CB PHE A 53 -19.043 -6.778 -2.413 1.00 73.32 C ATOM 848 CG PHE A 53 -20.203 -6.059 -3.029 1.00 24.23 C ATOM 849 CD1 PHE A 53 -21.474 -6.202 -2.503 1.00 42.04 C ATOM 850 CD2 PHE A 53 -20.024 -5.250 -4.135 1.00 42.54 C ATOM 851 CE1 PHE A 53 -22.550 -5.550 -3.071 1.00 75.02 C ATOM 852 CE2 PHE A 53 -21.096 -4.595 -4.706 1.00 54.12 C ATOM 853 CZ PHE A 53 -22.361 -4.743 -4.173 1.00 1.22 C ATOM 0 H PHE A 53 -16.600 -6.009 -2.057 1.00 43.43 H new ATOM 0 HA PHE A 53 -19.167 -5.327 -0.817 1.00 21.44 H new ATOM 0 HB2 PHE A 53 -18.249 -6.867 -3.154 1.00 73.32 H new ATOM 0 HB3 PHE A 53 -19.353 -7.791 -2.154 1.00 73.32 H new ATOM 0 HD1 PHE A 53 -21.626 -6.831 -1.638 1.00 42.04 H new ATOM 0 HD2 PHE A 53 -19.037 -5.129 -4.556 1.00 42.54 H new ATOM 0 HE1 PHE A 53 -23.538 -5.672 -2.653 1.00 75.02 H new ATOM 0 HE2 PHE A 53 -20.945 -3.966 -5.571 1.00 54.12 H new ATOM 0 HZ PHE A 53 -23.200 -4.228 -4.618 1.00 1.22 H new ATOM 863 N ARG A 54 -19.259 -7.172 0.830 1.00 1.35 N ATOM 864 CA ARG A 54 -19.353 -8.228 1.821 1.00 73.11 C ATOM 865 C ARG A 54 -20.818 -8.437 2.201 1.00 43.12 C ATOM 866 O ARG A 54 -21.507 -7.483 2.566 1.00 73.54 O ATOM 867 CB ARG A 54 -18.528 -7.910 3.067 1.00 30.54 C ATOM 868 CG ARG A 54 -18.714 -8.942 4.164 1.00 13.35 C ATOM 869 CD ARG A 54 -17.821 -8.679 5.357 1.00 65.22 C ATOM 870 NE ARG A 54 -18.429 -9.188 6.582 1.00 45.35 N ATOM 871 CZ ARG A 54 -17.783 -9.855 7.532 1.00 53.14 C ATOM 872 NH1 ARG A 54 -16.557 -10.281 7.315 1.00 3.33 N ATOM 873 NH2 ARG A 54 -18.385 -10.132 8.684 1.00 71.13 N ATOM 0 H ARG A 54 -19.986 -6.461 0.909 1.00 1.35 H new ATOM 0 HA ARG A 54 -18.948 -9.141 1.385 1.00 73.11 H new ATOM 0 HB2 ARG A 54 -17.473 -7.857 2.797 1.00 30.54 H new ATOM 0 HB3 ARG A 54 -18.810 -6.927 3.445 1.00 30.54 H new ATOM 0 HG2 ARG A 54 -19.755 -8.943 4.486 1.00 13.35 H new ATOM 0 HG3 ARG A 54 -18.502 -9.934 3.766 1.00 13.35 H new ATOM 0 HD2 ARG A 54 -16.852 -9.153 5.203 1.00 65.22 H new ATOM 0 HD3 ARG A 54 -17.641 -7.608 5.453 1.00 65.22 H new ATOM 0 HE ARG A 54 -19.425 -9.019 6.719 1.00 45.35 H new ATOM 0 HH11 ARG A 54 -16.105 -10.099 6.419 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -16.059 -10.793 8.043 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -19.347 -9.832 8.842 1.00 71.13 H new ATOM 0 HH22 ARG A 54 -17.885 -10.644 9.410 1.00 71.13 H new ATOM 887 N HIS A 55 -21.286 -9.678 2.105 1.00 13.42 N ATOM 888 CA HIS A 55 -22.696 -10.015 2.347 1.00 41.42 C ATOM 889 C HIS A 55 -23.648 -9.178 1.499 1.00 34.34 C ATOM 890 O HIS A 55 -24.772 -8.889 1.912 1.00 24.01 O ATOM 891 CB HIS A 55 -23.040 -9.864 3.825 1.00 20.03 C ATOM 892 CG HIS A 55 -22.677 -11.066 4.625 1.00 24.22 C ATOM 893 ND1 HIS A 55 -23.594 -11.988 5.083 1.00 24.54 N ATOM 894 CD2 HIS A 55 -21.462 -11.511 5.027 1.00 75.34 C ATOM 895 CE1 HIS A 55 -22.923 -12.941 5.731 1.00 32.52 C ATOM 896 NE2 HIS A 55 -21.629 -12.697 5.725 1.00 51.34 N ATOM 0 H HIS A 55 -20.706 -10.480 1.859 1.00 13.42 H new ATOM 0 HA HIS A 55 -22.826 -11.056 2.052 1.00 41.42 H new ATOM 0 HB2 HIS A 55 -22.521 -8.994 4.228 1.00 20.03 H new ATOM 0 HB3 HIS A 55 -24.108 -9.673 3.928 1.00 20.03 H new ATOM 0 HD2 HIS A 55 -20.518 -11.022 4.835 1.00 75.34 H new ATOM 0 HE1 HIS A 55 -23.381 -13.800 6.199 1.00 32.52 H new ATOM 0 HE2 HIS A 55 -20.897 -13.266 6.149 1.00 51.34 H new ATOM 904 N GLY A 56 -23.209 -8.820 0.303 1.00 24.11 N ATOM 905 CA GLY A 56 -24.036 -8.025 -0.579 1.00 52.31 C ATOM 906 C GLY A 56 -24.128 -6.573 -0.147 1.00 72.43 C ATOM 907 O GLY A 56 -24.940 -5.813 -0.677 1.00 21.54 O ATOM 0 H GLY A 56 -22.293 -9.066 -0.073 1.00 24.11 H new ATOM 0 HA2 GLY A 56 -23.632 -8.074 -1.590 1.00 52.31 H new ATOM 0 HA3 GLY A 56 -25.038 -8.453 -0.615 1.00 52.31 H new ATOM 911 N ASN A 57 -23.309 -6.185 0.823 1.00 41.15 N ATOM 912 CA ASN A 57 -23.265 -4.798 1.268 1.00 3.31 C ATOM 913 C ASN A 57 -21.938 -4.184 0.883 1.00 1.30 C ATOM 914 O ASN A 57 -21.039 -4.875 0.398 1.00 31.43 O ATOM 915 CB ASN A 57 -23.446 -4.664 2.786 1.00 3.45 C ATOM 916 CG ASN A 57 -24.595 -5.480 3.325 1.00 44.24 C ATOM 917 OD1 ASN A 57 -25.752 -5.059 3.287 1.00 21.20 O ATOM 918 ND2 ASN A 57 -24.272 -6.640 3.862 1.00 42.51 N ATOM 0 H ASN A 57 -22.669 -6.809 1.315 1.00 41.15 H new ATOM 0 HA ASN A 57 -24.091 -4.279 0.782 1.00 3.31 H new ATOM 0 HB2 ASN A 57 -22.526 -4.972 3.283 1.00 3.45 H new ATOM 0 HB3 ASN A 57 -23.607 -3.615 3.034 1.00 3.45 H new ATOM 0 HD21 ASN A 57 -24.995 -7.232 4.270 1.00 42.51 H new ATOM 0 HD22 ASN A 57 -23.299 -6.945 3.869 1.00 42.51 H new ATOM 925 N ILE A 58 -21.816 -2.895 1.124 1.00 54.32 N ATOM 926 CA ILE A 58 -20.604 -2.168 0.798 1.00 4.13 C ATOM 927 C ILE A 58 -19.852 -1.798 2.060 1.00 1.44 C ATOM 928 O ILE A 58 -20.356 -1.064 2.911 1.00 34.42 O ATOM 929 CB ILE A 58 -20.918 -0.898 -0.017 1.00 44.44 C ATOM 930 CG1 ILE A 58 -21.466 -1.298 -1.386 1.00 63.11 C ATOM 931 CG2 ILE A 58 -19.682 -0.015 -0.156 1.00 64.23 C ATOM 932 CD1 ILE A 58 -20.454 -1.986 -2.275 1.00 73.10 C ATOM 0 H ILE A 58 -22.547 -2.324 1.548 1.00 54.32 H new ATOM 0 HA ILE A 58 -19.979 -2.821 0.189 1.00 4.13 H new ATOM 0 HB ILE A 58 -21.672 -0.314 0.511 1.00 44.44 H new ATOM 0 HG12 ILE A 58 -22.320 -1.960 -1.245 1.00 63.11 H new ATOM 0 HG13 ILE A 58 -21.834 -0.406 -1.894 1.00 63.11 H new ATOM 0 HG21 ILE A 58 -19.933 0.874 -0.735 1.00 64.23 H new ATOM 0 HG22 ILE A 58 -19.335 0.283 0.833 1.00 64.23 H new ATOM 0 HG23 ILE A 58 -18.894 -0.570 -0.665 1.00 64.23 H new ATOM 0 HD11 ILE A 58 -20.919 -2.238 -3.228 1.00 73.10 H new ATOM 0 HD12 ILE A 58 -19.609 -1.319 -2.449 1.00 73.10 H new ATOM 0 HD13 ILE A 58 -20.103 -2.897 -1.790 1.00 73.10 H new ATOM 944 N VAL A 59 -18.656 -2.336 2.187 1.00 14.33 N ATOM 945 CA VAL A 59 -17.802 -2.007 3.316 1.00 51.03 C ATOM 946 C VAL A 59 -16.862 -0.865 2.946 1.00 23.02 C ATOM 947 O VAL A 59 -16.590 0.022 3.757 1.00 50.42 O ATOM 948 CB VAL A 59 -16.971 -3.217 3.801 1.00 20.22 C ATOM 949 CG1 VAL A 59 -16.101 -2.822 4.983 1.00 21.11 C ATOM 950 CG2 VAL A 59 -17.867 -4.389 4.173 1.00 43.14 C ATOM 0 H VAL A 59 -18.252 -3.000 1.527 1.00 14.33 H new ATOM 0 HA VAL A 59 -18.458 -1.706 4.133 1.00 51.03 H new ATOM 0 HB VAL A 59 -16.328 -3.533 2.979 1.00 20.22 H new ATOM 0 HG11 VAL A 59 -15.522 -3.685 5.313 1.00 21.11 H new ATOM 0 HG12 VAL A 59 -15.423 -2.022 4.685 1.00 21.11 H new ATOM 0 HG13 VAL A 59 -16.733 -2.475 5.800 1.00 21.11 H new ATOM 0 HG21 VAL A 59 -17.253 -5.224 4.510 1.00 43.14 H new ATOM 0 HG22 VAL A 59 -18.544 -4.090 4.974 1.00 43.14 H new ATOM 0 HG23 VAL A 59 -18.448 -4.694 3.302 1.00 43.14 H new ATOM 960 N ALA A 60 -16.383 -0.880 1.708 1.00 23.15 N ATOM 961 CA ALA A 60 -15.464 0.152 1.238 1.00 11.31 C ATOM 962 C ALA A 60 -15.892 0.690 -0.111 1.00 32.53 C ATOM 963 O ALA A 60 -16.336 -0.068 -0.966 1.00 11.34 O ATOM 964 CB ALA A 60 -14.048 -0.393 1.136 1.00 24.02 C ATOM 0 H ALA A 60 -16.613 -1.591 1.014 1.00 23.15 H new ATOM 0 HA ALA A 60 -15.486 0.964 1.965 1.00 11.31 H new ATOM 0 HB1 ALA A 60 -13.380 0.393 0.784 1.00 24.02 H new ATOM 0 HB2 ALA A 60 -13.719 -0.737 2.117 1.00 24.02 H new ATOM 0 HB3 ALA A 60 -14.029 -1.227 0.434 1.00 24.02 H new ATOM 970 N TYR A 61 -15.771 1.993 -0.298 1.00 33.35 N ATOM 971 CA TYR A 61 -15.988 2.588 -1.603 1.00 24.25 C ATOM 972 C TYR A 61 -14.945 3.671 -1.866 1.00 4.42 C ATOM 973 O TYR A 61 -14.625 4.471 -0.982 1.00 53.20 O ATOM 974 CB TYR A 61 -17.403 3.167 -1.721 1.00 52.40 C ATOM 975 CG TYR A 61 -17.750 3.597 -3.131 1.00 44.11 C ATOM 976 CD1 TYR A 61 -18.254 2.683 -4.045 1.00 41.01 C ATOM 977 CD2 TYR A 61 -17.552 4.905 -3.552 1.00 12.44 C ATOM 978 CE1 TYR A 61 -18.548 3.055 -5.342 1.00 13.43 C ATOM 979 CE2 TYR A 61 -17.850 5.288 -4.846 1.00 0.22 C ATOM 980 CZ TYR A 61 -18.347 4.360 -5.738 1.00 30.45 C ATOM 981 OH TYR A 61 -18.623 4.737 -7.034 1.00 33.51 O ATOM 0 H TYR A 61 -15.524 2.657 0.436 1.00 33.35 H new ATOM 0 HA TYR A 61 -15.884 1.806 -2.355 1.00 24.25 H new ATOM 0 HB2 TYR A 61 -18.124 2.421 -1.387 1.00 52.40 H new ATOM 0 HB3 TYR A 61 -17.496 4.023 -1.053 1.00 52.40 H new ATOM 0 HD1 TYR A 61 -18.420 1.661 -3.736 1.00 41.01 H new ATOM 0 HD2 TYR A 61 -17.159 5.634 -2.858 1.00 12.44 H new ATOM 0 HE1 TYR A 61 -18.933 2.328 -6.042 1.00 13.43 H new ATOM 0 HE2 TYR A 61 -17.694 6.310 -5.158 1.00 0.22 H new ATOM 0 HH TYR A 61 -19.348 4.182 -7.389 1.00 33.51 H new ATOM 991 N GLY A 62 -14.394 3.662 -3.070 1.00 2.43 N ATOM 992 CA GLY A 62 -13.434 4.664 -3.469 1.00 2.11 C ATOM 993 C GLY A 62 -13.545 4.986 -4.942 1.00 73.13 C ATOM 994 O GLY A 62 -13.210 4.163 -5.790 1.00 22.32 O ATOM 0 H GLY A 62 -14.600 2.966 -3.786 1.00 2.43 H new ATOM 0 HA2 GLY A 62 -13.590 5.571 -2.885 1.00 2.11 H new ATOM 0 HA3 GLY A 62 -12.426 4.312 -3.248 1.00 2.11 H new ATOM 998 N LYS A 63 -14.027 6.179 -5.245 1.00 50.55 N ATOM 999 CA LYS A 63 -14.236 6.592 -6.622 1.00 40.11 C ATOM 1000 C LYS A 63 -13.137 7.550 -7.064 1.00 11.31 C ATOM 1001 O LYS A 63 -12.987 8.634 -6.499 1.00 44.00 O ATOM 1002 CB LYS A 63 -15.598 7.269 -6.750 1.00 15.30 C ATOM 1003 CG LYS A 63 -15.992 7.611 -8.176 1.00 20.42 C ATOM 1004 CD LYS A 63 -17.256 8.456 -8.206 1.00 24.51 C ATOM 1005 CE LYS A 63 -18.427 7.731 -7.561 1.00 24.01 C ATOM 1006 NZ LYS A 63 -19.642 8.585 -7.470 1.00 24.32 N ATOM 0 H LYS A 63 -14.282 6.882 -4.552 1.00 50.55 H new ATOM 0 HA LYS A 63 -14.206 5.711 -7.263 1.00 40.11 H new ATOM 0 HB2 LYS A 63 -16.358 6.615 -6.322 1.00 15.30 H new ATOM 0 HB3 LYS A 63 -15.594 8.184 -6.157 1.00 15.30 H new ATOM 0 HG2 LYS A 63 -15.179 8.150 -8.662 1.00 20.42 H new ATOM 0 HG3 LYS A 63 -16.150 6.694 -8.743 1.00 20.42 H new ATOM 0 HD2 LYS A 63 -17.078 9.397 -7.686 1.00 24.51 H new ATOM 0 HD3 LYS A 63 -17.504 8.704 -9.238 1.00 24.51 H new ATOM 0 HE2 LYS A 63 -18.658 6.835 -8.137 1.00 24.01 H new ATOM 0 HE3 LYS A 63 -18.142 7.402 -6.562 1.00 24.01 H new ATOM 0 HZ1 LYS A 63 -20.412 8.047 -7.024 1.00 24.32 H new ATOM 0 HZ2 LYS A 63 -19.432 9.428 -6.898 1.00 24.32 H new ATOM 0 HZ3 LYS A 63 -19.933 8.878 -8.425 1.00 24.32 H new ATOM 1020 N SER A 64 -12.373 7.153 -8.069 1.00 10.24 N ATOM 1021 CA SER A 64 -11.299 7.988 -8.579 1.00 41.30 C ATOM 1022 C SER A 64 -11.078 7.737 -10.066 1.00 51.32 C ATOM 1023 O SER A 64 -11.615 6.786 -10.634 1.00 35.13 O ATOM 1024 CB SER A 64 -10.004 7.736 -7.800 1.00 41.51 C ATOM 1025 OG SER A 64 -8.954 8.579 -8.254 1.00 44.22 O ATOM 0 H SER A 64 -12.477 6.258 -8.547 1.00 10.24 H new ATOM 0 HA SER A 64 -11.588 9.030 -8.445 1.00 41.30 H new ATOM 0 HB2 SER A 64 -10.177 7.908 -6.738 1.00 41.51 H new ATOM 0 HB3 SER A 64 -9.708 6.693 -7.910 1.00 41.51 H new ATOM 0 HG SER A 64 -8.455 8.923 -7.484 1.00 44.22 H new ATOM 1031 N ARG A 65 -10.288 8.599 -10.686 1.00 55.13 N ATOM 1032 CA ARG A 65 -9.973 8.478 -12.100 1.00 42.30 C ATOM 1033 C ARG A 65 -8.781 7.548 -12.297 1.00 51.41 C ATOM 1034 O ARG A 65 -8.452 7.162 -13.419 1.00 71.21 O ATOM 1035 CB ARG A 65 -9.688 9.862 -12.689 1.00 63.52 C ATOM 1036 CG ARG A 65 -8.570 10.607 -11.978 1.00 40.44 C ATOM 1037 CD ARG A 65 -8.564 12.086 -12.335 1.00 71.55 C ATOM 1038 NE ARG A 65 -9.802 12.753 -11.928 1.00 1.34 N ATOM 1039 CZ ARG A 65 -9.923 13.494 -10.823 1.00 44.42 C ATOM 1040 NH1 ARG A 65 -8.882 13.669 -10.016 1.00 15.24 N ATOM 1041 NH2 ARG A 65 -11.085 14.058 -10.527 1.00 45.14 N ATOM 0 H ARG A 65 -9.850 9.397 -10.227 1.00 55.13 H new ATOM 0 HA ARG A 65 -10.828 8.049 -12.622 1.00 42.30 H new ATOM 0 HB2 ARG A 65 -9.429 9.753 -13.742 1.00 63.52 H new ATOM 0 HB3 ARG A 65 -10.598 10.461 -12.645 1.00 63.52 H new ATOM 0 HG2 ARG A 65 -8.685 10.493 -10.900 1.00 40.44 H new ATOM 0 HG3 ARG A 65 -7.610 10.164 -12.245 1.00 40.44 H new ATOM 0 HD2 ARG A 65 -7.715 12.572 -11.854 1.00 71.55 H new ATOM 0 HD3 ARG A 65 -8.428 12.199 -13.411 1.00 71.55 H new ATOM 0 HE ARG A 65 -10.622 12.645 -12.525 1.00 1.34 H new ATOM 0 HH11 ARG A 65 -7.985 13.237 -10.239 1.00 15.24 H new ATOM 0 HH12 ARG A 65 -8.979 14.236 -9.174 1.00 15.24 H new ATOM 0 HH21 ARG A 65 -11.887 13.926 -11.143 1.00 45.14 H new ATOM 0 HH22 ARG A 65 -11.177 14.624 -9.683 1.00 45.14 H new ATOM 1055 N LYS A 66 -8.137 7.192 -11.193 1.00 72.10 N ATOM 1056 CA LYS A 66 -7.027 6.253 -11.223 1.00 70.14 C ATOM 1057 C LYS A 66 -7.478 4.921 -10.639 1.00 35.53 C ATOM 1058 O LYS A 66 -8.042 4.891 -9.543 1.00 41.50 O ATOM 1059 CB LYS A 66 -5.844 6.769 -10.396 1.00 45.31 C ATOM 1060 CG LYS A 66 -5.422 8.200 -10.680 1.00 51.33 C ATOM 1061 CD LYS A 66 -4.742 8.337 -12.028 1.00 54.44 C ATOM 1062 CE LYS A 66 -3.557 9.289 -11.951 1.00 1.32 C ATOM 1063 NZ LYS A 66 -3.937 10.627 -11.426 1.00 21.41 N ATOM 0 H LYS A 66 -8.367 7.542 -10.263 1.00 72.10 H new ATOM 0 HA LYS A 66 -6.711 6.135 -12.259 1.00 70.14 H new ATOM 0 HB2 LYS A 66 -6.099 6.687 -9.339 1.00 45.31 H new ATOM 0 HB3 LYS A 66 -4.989 6.115 -10.570 1.00 45.31 H new ATOM 0 HG2 LYS A 66 -6.297 8.849 -10.648 1.00 51.33 H new ATOM 0 HG3 LYS A 66 -4.745 8.540 -9.897 1.00 51.33 H new ATOM 0 HD2 LYS A 66 -4.404 7.358 -12.369 1.00 54.44 H new ATOM 0 HD3 LYS A 66 -5.458 8.702 -12.764 1.00 54.44 H new ATOM 0 HE2 LYS A 66 -2.788 8.856 -11.311 1.00 1.32 H new ATOM 0 HE3 LYS A 66 -3.120 9.402 -12.943 1.00 1.32 H new ATOM 0 HZ1 LYS A 66 -3.162 11.299 -11.596 1.00 21.41 H new ATOM 0 HZ2 LYS A 66 -4.796 10.959 -11.910 1.00 21.41 H new ATOM 0 HZ3 LYS A 66 -4.119 10.560 -10.404 1.00 21.41 H new ATOM 1077 N VAL A 67 -7.231 3.833 -11.359 1.00 12.23 N ATOM 1078 CA VAL A 67 -7.550 2.495 -10.870 1.00 43.42 C ATOM 1079 C VAL A 67 -6.896 2.248 -9.506 1.00 63.02 C ATOM 1080 O VAL A 67 -7.526 1.736 -8.586 1.00 54.43 O ATOM 1081 CB VAL A 67 -7.101 1.406 -11.886 1.00 54.44 C ATOM 1082 CG1 VAL A 67 -5.606 1.467 -12.146 1.00 64.41 C ATOM 1083 CG2 VAL A 67 -7.490 0.014 -11.421 1.00 75.34 C ATOM 0 H VAL A 67 -6.809 3.851 -12.287 1.00 12.23 H new ATOM 0 HA VAL A 67 -8.632 2.431 -10.756 1.00 43.42 H new ATOM 0 HB VAL A 67 -7.622 1.615 -12.820 1.00 54.44 H new ATOM 0 HG11 VAL A 67 -5.329 0.692 -12.860 1.00 64.41 H new ATOM 0 HG12 VAL A 67 -5.347 2.445 -12.553 1.00 64.41 H new ATOM 0 HG13 VAL A 67 -5.067 1.309 -11.212 1.00 64.41 H new ATOM 0 HG21 VAL A 67 -7.160 -0.720 -12.156 1.00 75.34 H new ATOM 0 HG22 VAL A 67 -7.017 -0.195 -10.462 1.00 75.34 H new ATOM 0 HG23 VAL A 67 -8.573 -0.044 -11.311 1.00 75.34 H new ATOM 1093 N ALA A 68 -5.639 2.654 -9.383 1.00 53.24 N ATOM 1094 CA ALA A 68 -4.870 2.463 -8.166 1.00 45.53 C ATOM 1095 C ALA A 68 -5.299 3.420 -7.058 1.00 22.22 C ATOM 1096 O ALA A 68 -5.270 3.059 -5.887 1.00 11.23 O ATOM 1097 CB ALA A 68 -3.390 2.635 -8.459 1.00 23.31 C ATOM 0 H ALA A 68 -5.125 3.126 -10.127 1.00 53.24 H new ATOM 0 HA ALA A 68 -5.060 1.450 -7.812 1.00 45.53 H new ATOM 0 HB1 ALA A 68 -2.818 2.491 -7.542 1.00 23.31 H new ATOM 0 HB2 ALA A 68 -3.078 1.900 -9.201 1.00 23.31 H new ATOM 0 HB3 ALA A 68 -3.210 3.638 -8.845 1.00 23.31 H new ATOM 1103 N ASN A 69 -5.692 4.639 -7.421 1.00 4.15 N ATOM 1104 CA ASN A 69 -6.096 5.632 -6.423 1.00 41.11 C ATOM 1105 C ASN A 69 -7.458 5.277 -5.853 1.00 2.13 C ATOM 1106 O ASN A 69 -7.661 5.312 -4.642 1.00 72.45 O ATOM 1107 CB ASN A 69 -6.138 7.043 -7.019 1.00 13.23 C ATOM 1108 CG ASN A 69 -6.511 8.110 -5.999 1.00 75.11 C ATOM 1109 OD1 ASN A 69 -7.148 9.108 -6.335 1.00 34.21 O ATOM 1110 ND2 ASN A 69 -6.116 7.913 -4.753 1.00 53.20 N ATOM 0 H ASN A 69 -5.740 4.962 -8.387 1.00 4.15 H new ATOM 0 HA ASN A 69 -5.352 5.622 -5.626 1.00 41.11 H new ATOM 0 HB2 ASN A 69 -5.163 7.281 -7.445 1.00 13.23 H new ATOM 0 HB3 ASN A 69 -6.857 7.064 -7.838 1.00 13.23 H new ATOM 0 HD21 ASN A 69 -6.338 8.601 -4.033 1.00 53.20 H new ATOM 0 HD22 ASN A 69 -5.590 7.073 -4.512 1.00 53.20 H new ATOM 1117 N ALA A 70 -8.381 4.932 -6.737 1.00 62.30 N ATOM 1118 CA ALA A 70 -9.704 4.477 -6.335 1.00 62.25 C ATOM 1119 C ALA A 70 -9.581 3.265 -5.428 1.00 51.43 C ATOM 1120 O ALA A 70 -10.197 3.184 -4.363 1.00 53.21 O ATOM 1121 CB ALA A 70 -10.505 4.123 -7.570 1.00 25.32 C ATOM 0 H ALA A 70 -8.237 4.959 -7.746 1.00 62.30 H new ATOM 0 HA ALA A 70 -10.213 5.271 -5.789 1.00 62.25 H new ATOM 0 HB1 ALA A 70 -11.497 3.781 -7.275 1.00 25.32 H new ATOM 0 HB2 ALA A 70 -10.599 5.002 -8.207 1.00 25.32 H new ATOM 0 HB3 ALA A 70 -9.997 3.330 -8.118 1.00 25.32 H new ATOM 1127 N LYS A 71 -8.752 2.341 -5.876 1.00 21.43 N ATOM 1128 CA LYS A 71 -8.434 1.134 -5.141 1.00 2.03 C ATOM 1129 C LYS A 71 -7.821 1.488 -3.789 1.00 71.21 C ATOM 1130 O LYS A 71 -8.140 0.888 -2.773 1.00 2.55 O ATOM 1131 CB LYS A 71 -7.454 0.332 -5.988 1.00 52.42 C ATOM 1132 CG LYS A 71 -7.403 -1.151 -5.706 1.00 63.15 C ATOM 1133 CD LYS A 71 -6.854 -1.887 -6.918 1.00 50.41 C ATOM 1134 CE LYS A 71 -5.520 -1.324 -7.365 1.00 41.55 C ATOM 1135 NZ LYS A 71 -4.958 -2.078 -8.515 1.00 65.12 N ATOM 0 H LYS A 71 -8.274 2.410 -6.774 1.00 21.43 H new ATOM 0 HA LYS A 71 -9.332 0.548 -4.948 1.00 2.03 H new ATOM 0 HB2 LYS A 71 -7.709 0.475 -7.038 1.00 52.42 H new ATOM 0 HB3 LYS A 71 -6.456 0.745 -5.844 1.00 52.42 H new ATOM 0 HG2 LYS A 71 -6.775 -1.344 -4.837 1.00 63.15 H new ATOM 0 HG3 LYS A 71 -8.400 -1.519 -5.466 1.00 63.15 H new ATOM 0 HD2 LYS A 71 -6.740 -2.944 -6.680 1.00 50.41 H new ATOM 0 HD3 LYS A 71 -7.569 -1.820 -7.738 1.00 50.41 H new ATOM 0 HE2 LYS A 71 -5.642 -0.277 -7.642 1.00 41.55 H new ATOM 0 HE3 LYS A 71 -4.816 -1.353 -6.533 1.00 41.55 H new ATOM 0 HZ1 LYS A 71 -4.046 -1.662 -8.790 1.00 65.12 H new ATOM 0 HZ2 LYS A 71 -4.817 -3.072 -8.243 1.00 65.12 H new ATOM 0 HZ3 LYS A 71 -5.617 -2.029 -9.318 1.00 65.12 H new ATOM 1149 N TYR A 72 -6.948 2.485 -3.799 1.00 40.53 N ATOM 1150 CA TYR A 72 -6.302 2.986 -2.590 1.00 12.22 C ATOM 1151 C TYR A 72 -7.332 3.482 -1.576 1.00 5.33 C ATOM 1152 O TYR A 72 -7.259 3.152 -0.390 1.00 1.33 O ATOM 1153 CB TYR A 72 -5.345 4.123 -2.964 1.00 23.35 C ATOM 1154 CG TYR A 72 -4.831 4.917 -1.788 1.00 2.11 C ATOM 1155 CD1 TYR A 72 -3.742 4.476 -1.051 1.00 34.05 C ATOM 1156 CD2 TYR A 72 -5.441 6.110 -1.414 1.00 41.51 C ATOM 1157 CE1 TYR A 72 -3.272 5.197 0.027 1.00 41.53 C ATOM 1158 CE2 TYR A 72 -4.977 6.837 -0.337 1.00 74.20 C ATOM 1159 CZ TYR A 72 -3.892 6.375 0.380 1.00 43.40 C ATOM 1160 OH TYR A 72 -3.421 7.095 1.452 1.00 32.50 O ATOM 0 H TYR A 72 -6.665 2.973 -4.649 1.00 40.53 H new ATOM 0 HA TYR A 72 -5.746 2.170 -2.128 1.00 12.22 H new ATOM 0 HB2 TYR A 72 -4.495 3.704 -3.503 1.00 23.35 H new ATOM 0 HB3 TYR A 72 -5.855 4.800 -3.649 1.00 23.35 H new ATOM 0 HD1 TYR A 72 -3.254 3.553 -1.326 1.00 34.05 H new ATOM 0 HD2 TYR A 72 -6.290 6.472 -1.975 1.00 41.51 H new ATOM 0 HE1 TYR A 72 -2.423 4.840 0.591 1.00 41.53 H new ATOM 0 HE2 TYR A 72 -5.460 7.762 -0.057 1.00 74.20 H new ATOM 0 HH TYR A 72 -3.966 7.901 1.570 1.00 32.50 H new ATOM 1170 N ILE A 73 -8.276 4.282 -2.052 1.00 34.32 N ATOM 1171 CA ILE A 73 -9.310 4.854 -1.199 1.00 4.23 C ATOM 1172 C ILE A 73 -10.113 3.765 -0.504 1.00 43.00 C ATOM 1173 O ILE A 73 -10.247 3.771 0.720 1.00 14.14 O ATOM 1174 CB ILE A 73 -10.262 5.748 -2.009 1.00 72.11 C ATOM 1175 CG1 ILE A 73 -9.480 6.907 -2.625 1.00 22.01 C ATOM 1176 CG2 ILE A 73 -11.394 6.261 -1.123 1.00 14.54 C ATOM 1177 CD1 ILE A 73 -10.151 7.502 -3.837 1.00 4.25 C ATOM 0 H ILE A 73 -8.347 4.552 -3.033 1.00 34.32 H new ATOM 0 HA ILE A 73 -8.807 5.460 -0.445 1.00 4.23 H new ATOM 0 HB ILE A 73 -10.707 5.162 -2.813 1.00 72.11 H new ATOM 0 HG12 ILE A 73 -9.346 7.685 -1.874 1.00 22.01 H new ATOM 0 HG13 ILE A 73 -8.486 6.558 -2.904 1.00 22.01 H new ATOM 0 HG21 ILE A 73 -12.059 6.893 -1.712 1.00 14.54 H new ATOM 0 HG22 ILE A 73 -11.955 5.416 -0.724 1.00 14.54 H new ATOM 0 HG23 ILE A 73 -10.977 6.841 -0.300 1.00 14.54 H new ATOM 0 HD11 ILE A 73 -9.543 8.320 -4.225 1.00 4.25 H new ATOM 0 HD12 ILE A 73 -10.261 6.736 -4.605 1.00 4.25 H new ATOM 0 HD13 ILE A 73 -11.134 7.881 -3.559 1.00 4.25 H new ATOM 1189 N MET A 74 -10.640 2.826 -1.286 1.00 52.23 N ATOM 1190 CA MET A 74 -11.405 1.727 -0.718 1.00 35.12 C ATOM 1191 C MET A 74 -10.526 0.902 0.223 1.00 3.31 C ATOM 1192 O MET A 74 -10.996 0.439 1.260 1.00 62.43 O ATOM 1193 CB MET A 74 -12.009 0.830 -1.805 1.00 41.52 C ATOM 1194 CG MET A 74 -10.975 0.118 -2.642 1.00 22.31 C ATOM 1195 SD MET A 74 -11.615 -1.346 -3.459 1.00 32.24 S ATOM 1196 CE MET A 74 -10.189 -2.404 -3.271 1.00 53.53 C ATOM 0 H MET A 74 -10.551 2.806 -2.302 1.00 52.23 H new ATOM 0 HA MET A 74 -12.231 2.158 -0.152 1.00 35.12 H new ATOM 0 HB2 MET A 74 -12.657 0.090 -1.335 1.00 41.52 H new ATOM 0 HB3 MET A 74 -12.638 1.436 -2.457 1.00 41.52 H new ATOM 0 HG2 MET A 74 -10.588 0.806 -3.394 1.00 22.31 H new ATOM 0 HG3 MET A 74 -10.135 -0.165 -2.007 1.00 22.31 H new ATOM 0 HE1 MET A 74 -10.182 -3.150 -4.066 1.00 53.53 H new ATOM 0 HE2 MET A 74 -9.281 -1.804 -3.328 1.00 53.53 H new ATOM 0 HE3 MET A 74 -10.233 -2.905 -2.304 1.00 53.53 H new ATOM 1206 N LYS A 75 -9.248 0.734 -0.130 1.00 35.24 N ATOM 1207 CA LYS A 75 -8.307 0.029 0.731 1.00 51.13 C ATOM 1208 C LYS A 75 -8.256 0.666 2.112 1.00 25.30 C ATOM 1209 O LYS A 75 -8.412 -0.020 3.118 1.00 13.25 O ATOM 1210 CB LYS A 75 -6.912 0.021 0.110 1.00 13.02 C ATOM 1211 CG LYS A 75 -6.755 -0.982 -1.017 1.00 72.11 C ATOM 1212 CD LYS A 75 -5.459 -0.770 -1.767 1.00 23.03 C ATOM 1213 CE LYS A 75 -5.128 -1.956 -2.657 1.00 15.33 C ATOM 1214 NZ LYS A 75 -3.770 -1.845 -3.252 1.00 52.33 N ATOM 0 H LYS A 75 -8.847 1.077 -1.003 1.00 35.24 H new ATOM 0 HA LYS A 75 -8.653 -1.000 0.834 1.00 51.13 H new ATOM 0 HB2 LYS A 75 -6.686 1.018 -0.268 1.00 13.02 H new ATOM 0 HB3 LYS A 75 -6.179 -0.199 0.886 1.00 13.02 H new ATOM 0 HG2 LYS A 75 -6.782 -1.994 -0.612 1.00 72.11 H new ATOM 0 HG3 LYS A 75 -7.595 -0.892 -1.706 1.00 72.11 H new ATOM 0 HD2 LYS A 75 -5.533 0.132 -2.374 1.00 23.03 H new ATOM 0 HD3 LYS A 75 -4.648 -0.610 -1.056 1.00 23.03 H new ATOM 0 HE2 LYS A 75 -5.195 -2.875 -2.075 1.00 15.33 H new ATOM 0 HE3 LYS A 75 -5.868 -2.029 -3.454 1.00 15.33 H new ATOM 0 HZ1 LYS A 75 -3.585 -2.674 -3.852 1.00 52.33 H new ATOM 0 HZ2 LYS A 75 -3.713 -0.981 -3.828 1.00 52.33 H new ATOM 0 HZ3 LYS A 75 -3.061 -1.802 -2.493 1.00 52.33 H new ATOM 1228 N GLN A 76 -8.072 1.985 2.144 1.00 71.40 N ATOM 1229 CA GLN A 76 -7.999 2.735 3.398 1.00 5.52 C ATOM 1230 C GLN A 76 -9.253 2.542 4.243 1.00 41.11 C ATOM 1231 O GLN A 76 -9.196 2.615 5.472 1.00 62.23 O ATOM 1232 CB GLN A 76 -7.795 4.225 3.114 1.00 62.35 C ATOM 1233 CG GLN A 76 -6.389 4.573 2.660 1.00 45.33 C ATOM 1234 CD GLN A 76 -5.363 4.385 3.761 1.00 44.33 C ATOM 1235 OE1 GLN A 76 -5.665 4.542 4.944 1.00 53.12 O ATOM 1236 NE2 GLN A 76 -4.143 4.042 3.383 1.00 53.53 N ATOM 0 H GLN A 76 -7.970 2.561 1.308 1.00 71.40 H new ATOM 0 HA GLN A 76 -7.148 2.350 3.960 1.00 5.52 H new ATOM 0 HB2 GLN A 76 -8.503 4.540 2.348 1.00 62.35 H new ATOM 0 HB3 GLN A 76 -8.027 4.793 4.015 1.00 62.35 H new ATOM 0 HG2 GLN A 76 -6.121 3.950 1.807 1.00 45.33 H new ATOM 0 HG3 GLN A 76 -6.366 5.608 2.318 1.00 45.33 H new ATOM 0 HE21 GLN A 76 -3.931 3.921 2.393 1.00 53.53 H new ATOM 0 HE22 GLN A 76 -3.414 3.898 4.082 1.00 53.53 H new ATOM 1245 N ARG A 77 -10.379 2.291 3.581 1.00 1.41 N ATOM 1246 CA ARG A 77 -11.641 2.074 4.277 1.00 21.24 C ATOM 1247 C ARG A 77 -11.540 0.864 5.201 1.00 72.32 C ATOM 1248 O ARG A 77 -11.618 1.003 6.421 1.00 43.23 O ATOM 1249 CB ARG A 77 -12.789 1.874 3.286 1.00 20.22 C ATOM 1250 CG ARG A 77 -12.950 3.005 2.285 1.00 15.13 C ATOM 1251 CD ARG A 77 -13.124 4.339 2.981 1.00 31.34 C ATOM 1252 NE ARG A 77 -13.417 5.421 2.045 1.00 2.12 N ATOM 1253 CZ ARG A 77 -13.417 6.705 2.386 1.00 53.35 C ATOM 1254 NH1 ARG A 77 -13.101 7.060 3.628 1.00 73.30 N ATOM 1255 NH2 ARG A 77 -13.730 7.634 1.495 1.00 15.42 N ATOM 0 H ARG A 77 -10.442 2.233 2.565 1.00 1.41 H new ATOM 0 HA ARG A 77 -11.849 2.963 4.873 1.00 21.24 H new ATOM 0 HB2 ARG A 77 -12.627 0.943 2.743 1.00 20.22 H new ATOM 0 HB3 ARG A 77 -13.719 1.761 3.843 1.00 20.22 H new ATOM 0 HG2 ARG A 77 -12.077 3.044 1.634 1.00 15.13 H new ATOM 0 HG3 ARG A 77 -13.813 2.810 1.649 1.00 15.13 H new ATOM 0 HD2 ARG A 77 -13.932 4.263 3.709 1.00 31.34 H new ATOM 0 HD3 ARG A 77 -12.216 4.578 3.535 1.00 31.34 H new ATOM 0 HE ARG A 77 -13.633 5.178 1.078 1.00 2.12 H new ATOM 0 HH11 ARG A 77 -12.859 6.347 4.316 1.00 73.30 H new ATOM 0 HH12 ARG A 77 -13.100 8.045 3.892 1.00 73.30 H new ATOM 0 HH21 ARG A 77 -13.973 7.365 0.542 1.00 15.42 H new ATOM 0 HH22 ARG A 77 -13.728 8.618 1.762 1.00 15.42 H new ATOM 1269 N LEU A 78 -11.355 -0.322 4.621 1.00 43.20 N ATOM 1270 CA LEU A 78 -11.236 -1.537 5.428 1.00 22.42 C ATOM 1271 C LEU A 78 -9.953 -1.515 6.246 1.00 62.34 C ATOM 1272 O LEU A 78 -9.906 -2.061 7.346 1.00 53.15 O ATOM 1273 CB LEU A 78 -11.239 -2.800 4.575 1.00 54.45 C ATOM 1274 CG LEU A 78 -12.086 -2.758 3.312 1.00 51.44 C ATOM 1275 CD1 LEU A 78 -11.234 -2.398 2.110 1.00 22.13 C ATOM 1276 CD2 LEU A 78 -12.749 -4.093 3.103 1.00 63.22 C ATOM 0 H LEU A 78 -11.285 -0.467 3.614 1.00 43.20 H new ATOM 0 HA LEU A 78 -12.106 -1.555 6.085 1.00 22.42 H new ATOM 0 HB2 LEU A 78 -10.211 -3.023 4.290 1.00 54.45 H new ATOM 0 HB3 LEU A 78 -11.586 -3.629 5.192 1.00 54.45 H new ATOM 0 HG LEU A 78 -12.853 -1.992 3.426 1.00 51.44 H new ATOM 0 HD11 LEU A 78 -11.858 -2.373 1.216 1.00 22.13 H new ATOM 0 HD12 LEU A 78 -10.782 -1.418 2.265 1.00 22.13 H new ATOM 0 HD13 LEU A 78 -10.449 -3.144 1.984 1.00 22.13 H new ATOM 0 HD21 LEU A 78 -13.355 -4.060 2.198 1.00 63.22 H new ATOM 0 HD22 LEU A 78 -11.987 -4.866 3.002 1.00 63.22 H new ATOM 0 HD23 LEU A 78 -13.386 -4.321 3.958 1.00 63.22 H new ATOM 1288 N LEU A 79 -8.916 -0.889 5.694 1.00 13.04 N ATOM 1289 CA LEU A 79 -7.619 -0.785 6.360 1.00 73.12 C ATOM 1290 C LEU A 79 -7.798 -0.200 7.752 1.00 51.11 C ATOM 1291 O LEU A 79 -7.349 -0.775 8.741 1.00 13.12 O ATOM 1292 CB LEU A 79 -6.659 0.067 5.503 1.00 52.33 C ATOM 1293 CG LEU A 79 -5.207 0.203 5.992 1.00 42.04 C ATOM 1294 CD1 LEU A 79 -5.084 1.273 7.065 1.00 10.33 C ATOM 1295 CD2 LEU A 79 -4.689 -1.131 6.507 1.00 23.45 C ATOM 0 H LEU A 79 -8.950 -0.442 4.778 1.00 13.04 H new ATOM 0 HA LEU A 79 -7.180 -1.777 6.469 1.00 73.12 H new ATOM 0 HB2 LEU A 79 -6.638 -0.356 4.499 1.00 52.33 H new ATOM 0 HB3 LEU A 79 -7.081 1.068 5.418 1.00 52.33 H new ATOM 0 HG LEU A 79 -4.596 0.509 5.143 1.00 42.04 H new ATOM 0 HD11 LEU A 79 -4.046 1.345 7.390 1.00 10.33 H new ATOM 0 HD12 LEU A 79 -5.405 2.233 6.660 1.00 10.33 H new ATOM 0 HD13 LEU A 79 -5.713 1.009 7.915 1.00 10.33 H new ATOM 0 HD21 LEU A 79 -3.660 -1.015 6.848 1.00 23.45 H new ATOM 0 HD22 LEU A 79 -5.311 -1.467 7.337 1.00 23.45 H new ATOM 0 HD23 LEU A 79 -4.724 -1.869 5.705 1.00 23.45 H new ATOM 1307 N LYS A 80 -8.490 0.925 7.829 1.00 2.31 N ATOM 1308 CA LYS A 80 -8.750 1.553 9.112 1.00 65.24 C ATOM 1309 C LYS A 80 -9.647 0.676 9.970 1.00 63.13 C ATOM 1310 O LYS A 80 -9.524 0.669 11.186 1.00 12.44 O ATOM 1311 CB LYS A 80 -9.391 2.930 8.939 1.00 64.11 C ATOM 1312 CG LYS A 80 -8.448 4.088 9.245 1.00 34.11 C ATOM 1313 CD LYS A 80 -7.901 4.023 10.671 1.00 52.04 C ATOM 1314 CE LYS A 80 -9.013 3.933 11.709 1.00 11.00 C ATOM 1315 NZ LYS A 80 -8.489 4.028 13.099 1.00 23.15 N ATOM 0 H LYS A 80 -8.879 1.418 7.025 1.00 2.31 H new ATOM 0 HA LYS A 80 -7.790 1.679 9.612 1.00 65.24 H new ATOM 0 HB2 LYS A 80 -9.751 3.027 7.915 1.00 64.11 H new ATOM 0 HB3 LYS A 80 -10.262 3.000 9.591 1.00 64.11 H new ATOM 0 HG2 LYS A 80 -7.618 4.076 8.538 1.00 34.11 H new ATOM 0 HG3 LYS A 80 -8.975 5.031 9.102 1.00 34.11 H new ATOM 0 HD2 LYS A 80 -7.245 3.158 10.768 1.00 52.04 H new ATOM 0 HD3 LYS A 80 -7.294 4.907 10.866 1.00 52.04 H new ATOM 0 HE2 LYS A 80 -9.734 4.733 11.538 1.00 11.00 H new ATOM 0 HE3 LYS A 80 -9.547 2.991 11.587 1.00 11.00 H new ATOM 0 HZ1 LYS A 80 -9.259 3.844 13.774 1.00 23.15 H new ATOM 0 HZ2 LYS A 80 -7.735 3.325 13.234 1.00 23.15 H new ATOM 0 HZ3 LYS A 80 -8.107 4.981 13.261 1.00 23.15 H new ATOM 1329 N LEU A 81 -10.528 -0.079 9.330 1.00 42.24 N ATOM 1330 CA LEU A 81 -11.474 -0.917 10.053 1.00 24.12 C ATOM 1331 C LEU A 81 -10.762 -2.060 10.761 1.00 50.41 C ATOM 1332 O LEU A 81 -11.120 -2.411 11.881 1.00 34.22 O ATOM 1333 CB LEU A 81 -12.549 -1.455 9.106 1.00 75.35 C ATOM 1334 CG LEU A 81 -13.432 -0.385 8.465 1.00 21.43 C ATOM 1335 CD1 LEU A 81 -14.458 -1.018 7.544 1.00 73.42 C ATOM 1336 CD2 LEU A 81 -14.121 0.452 9.530 1.00 13.45 C ATOM 0 H LEU A 81 -10.608 -0.129 8.314 1.00 42.24 H new ATOM 0 HA LEU A 81 -11.958 -0.302 10.811 1.00 24.12 H new ATOM 0 HB2 LEU A 81 -12.063 -2.027 8.315 1.00 75.35 H new ATOM 0 HB3 LEU A 81 -13.185 -2.148 9.657 1.00 75.35 H new ATOM 0 HG LEU A 81 -12.794 0.270 7.872 1.00 21.43 H new ATOM 0 HD11 LEU A 81 -15.076 -0.239 7.098 1.00 73.42 H new ATOM 0 HD12 LEU A 81 -13.947 -1.571 6.756 1.00 73.42 H new ATOM 0 HD13 LEU A 81 -15.089 -1.699 8.115 1.00 73.42 H new ATOM 0 HD21 LEU A 81 -14.745 1.208 9.052 1.00 13.45 H new ATOM 0 HD22 LEU A 81 -14.743 -0.191 10.152 1.00 13.45 H new ATOM 0 HD23 LEU A 81 -13.370 0.941 10.151 1.00 13.45 H new ATOM 1348 N LEU A 82 -9.748 -2.629 10.124 1.00 72.13 N ATOM 1349 CA LEU A 82 -8.997 -3.717 10.738 1.00 20.12 C ATOM 1350 C LEU A 82 -7.958 -3.182 11.723 1.00 24.45 C ATOM 1351 O LEU A 82 -7.713 -3.792 12.760 1.00 24.45 O ATOM 1352 CB LEU A 82 -8.350 -4.616 9.677 1.00 25.52 C ATOM 1353 CG LEU A 82 -7.532 -3.907 8.600 1.00 12.11 C ATOM 1354 CD1 LEU A 82 -6.040 -4.005 8.881 1.00 32.52 C ATOM 1355 CD2 LEU A 82 -7.857 -4.491 7.244 1.00 4.53 C ATOM 0 H LEU A 82 -9.429 -2.360 9.193 1.00 72.13 H new ATOM 0 HA LEU A 82 -9.701 -4.330 11.301 1.00 20.12 H new ATOM 0 HB2 LEU A 82 -7.702 -5.332 10.183 1.00 25.52 H new ATOM 0 HB3 LEU A 82 -9.137 -5.189 9.187 1.00 25.52 H new ATOM 0 HG LEU A 82 -7.798 -2.850 8.608 1.00 12.11 H new ATOM 0 HD11 LEU A 82 -5.487 -3.490 8.095 1.00 32.52 H new ATOM 0 HD12 LEU A 82 -5.820 -3.542 9.843 1.00 32.52 H new ATOM 0 HD13 LEU A 82 -5.743 -5.053 8.906 1.00 32.52 H new ATOM 0 HD21 LEU A 82 -7.271 -3.982 6.479 1.00 4.53 H new ATOM 0 HD22 LEU A 82 -7.616 -5.554 7.238 1.00 4.53 H new ATOM 0 HD23 LEU A 82 -8.919 -4.359 7.036 1.00 4.53 H new ATOM 1367 N GLU A 83 -7.367 -2.032 11.411 1.00 13.51 N ATOM 1368 CA GLU A 83 -6.401 -1.394 12.312 1.00 11.10 C ATOM 1369 C GLU A 83 -7.088 -0.908 13.588 1.00 54.42 C ATOM 1370 O GLU A 83 -6.525 -0.968 14.683 1.00 4.03 O ATOM 1371 CB GLU A 83 -5.726 -0.207 11.619 1.00 54.11 C ATOM 1372 CG GLU A 83 -4.865 -0.586 10.426 1.00 34.44 C ATOM 1373 CD GLU A 83 -3.579 -1.278 10.824 1.00 2.34 C ATOM 1374 OE1 GLU A 83 -3.574 -2.521 10.951 1.00 32.55 O ATOM 1375 OE2 GLU A 83 -2.560 -0.577 11.014 1.00 72.32 O ATOM 0 H GLU A 83 -7.537 -1.521 10.545 1.00 13.51 H new ATOM 0 HA GLU A 83 -5.648 -2.137 12.574 1.00 11.10 H new ATOM 0 HB2 GLU A 83 -6.495 0.492 11.290 1.00 54.11 H new ATOM 0 HB3 GLU A 83 -5.107 0.319 12.346 1.00 54.11 H new ATOM 0 HG2 GLU A 83 -5.435 -1.241 9.766 1.00 34.44 H new ATOM 0 HG3 GLU A 83 -4.627 0.312 9.856 1.00 34.44 H new ATOM 1382 N ASP A 84 -8.307 -0.419 13.427 1.00 43.43 N ATOM 1383 CA ASP A 84 -9.082 0.132 14.534 1.00 33.54 C ATOM 1384 C ASP A 84 -9.896 -0.965 15.201 1.00 43.24 C ATOM 1385 O ASP A 84 -10.360 -0.812 16.329 1.00 70.43 O ATOM 1386 CB ASP A 84 -10.015 1.219 14.002 1.00 22.04 C ATOM 1387 CG ASP A 84 -10.573 2.125 15.075 1.00 35.31 C ATOM 1388 OD1 ASP A 84 -9.905 3.126 15.408 1.00 31.22 O ATOM 1389 OD2 ASP A 84 -11.700 1.876 15.547 1.00 70.10 O ATOM 0 H ASP A 84 -8.789 -0.391 12.528 1.00 43.43 H new ATOM 0 HA ASP A 84 -8.403 0.560 15.271 1.00 33.54 H new ATOM 0 HB2 ASP A 84 -9.474 1.824 13.274 1.00 22.04 H new ATOM 0 HB3 ASP A 84 -10.842 0.747 13.472 1.00 22.04 H new ATOM 1394 N LYS A 85 -10.046 -2.076 14.483 1.00 14.53 N ATOM 1395 CA LYS A 85 -10.840 -3.210 14.942 1.00 12.24 C ATOM 1396 C LYS A 85 -12.304 -2.811 15.093 1.00 15.04 C ATOM 1397 O LYS A 85 -12.943 -3.076 16.115 1.00 62.40 O ATOM 1398 CB LYS A 85 -10.276 -3.773 16.247 1.00 64.42 C ATOM 1399 CG LYS A 85 -8.882 -4.353 16.082 1.00 64.15 C ATOM 1400 CD LYS A 85 -8.882 -5.520 15.102 1.00 55.05 C ATOM 1401 CE LYS A 85 -7.530 -6.218 15.044 1.00 43.12 C ATOM 1402 NZ LYS A 85 -6.437 -5.299 14.635 1.00 13.55 N ATOM 0 H LYS A 85 -9.620 -2.214 13.567 1.00 14.53 H new ATOM 0 HA LYS A 85 -10.785 -3.999 14.192 1.00 12.24 H new ATOM 0 HB2 LYS A 85 -10.250 -2.983 16.997 1.00 64.42 H new ATOM 0 HB3 LYS A 85 -10.945 -4.547 16.623 1.00 64.42 H new ATOM 0 HG2 LYS A 85 -8.202 -3.578 15.728 1.00 64.15 H new ATOM 0 HG3 LYS A 85 -8.508 -4.687 17.050 1.00 64.15 H new ATOM 0 HD2 LYS A 85 -9.648 -6.238 15.394 1.00 55.05 H new ATOM 0 HD3 LYS A 85 -9.146 -5.158 14.108 1.00 55.05 H new ATOM 0 HE2 LYS A 85 -7.300 -6.640 16.022 1.00 43.12 H new ATOM 0 HE3 LYS A 85 -7.583 -7.050 14.342 1.00 43.12 H new ATOM 0 HZ1 LYS A 85 -5.650 -5.851 14.237 1.00 13.55 H new ATOM 0 HZ2 LYS A 85 -6.792 -4.635 13.918 1.00 13.55 H new ATOM 0 HZ3 LYS A 85 -6.102 -4.767 15.464 1.00 13.55 H new ATOM 1416 N SER A 86 -12.819 -2.173 14.052 1.00 1.33 N ATOM 1417 CA SER A 86 -14.203 -1.736 14.010 1.00 44.24 C ATOM 1418 C SER A 86 -15.100 -2.846 13.455 1.00 2.31 C ATOM 1419 O SER A 86 -14.710 -3.574 12.541 1.00 1.13 O ATOM 1420 CB SER A 86 -14.314 -0.487 13.139 1.00 72.44 C ATOM 1421 OG SER A 86 -13.340 0.475 13.503 1.00 33.31 O ATOM 0 H SER A 86 -12.287 -1.944 13.213 1.00 1.33 H new ATOM 0 HA SER A 86 -14.533 -1.503 15.022 1.00 44.24 H new ATOM 0 HB2 SER A 86 -14.188 -0.758 12.091 1.00 72.44 H new ATOM 0 HB3 SER A 86 -15.310 -0.057 13.240 1.00 72.44 H new ATOM 0 HG SER A 86 -13.213 0.461 14.475 1.00 33.31 H new ATOM 1427 N ASN A 87 -16.313 -2.949 13.984 1.00 14.00 N ATOM 1428 CA ASN A 87 -17.222 -4.047 13.637 1.00 74.13 C ATOM 1429 C ASN A 87 -17.893 -3.842 12.283 1.00 33.40 C ATOM 1430 O ASN A 87 -18.785 -4.595 11.907 1.00 54.51 O ATOM 1431 CB ASN A 87 -18.302 -4.218 14.707 1.00 2.34 C ATOM 1432 CG ASN A 87 -19.224 -3.017 14.830 1.00 20.13 C ATOM 1433 OD1 ASN A 87 -18.983 -2.117 15.634 1.00 12.53 O ATOM 1434 ND2 ASN A 87 -20.288 -2.999 14.044 1.00 55.44 N ATOM 0 H ASN A 87 -16.696 -2.286 14.658 1.00 14.00 H new ATOM 0 HA ASN A 87 -16.608 -4.946 13.581 1.00 74.13 H new ATOM 0 HB2 ASN A 87 -18.897 -5.101 14.474 1.00 2.34 H new ATOM 0 HB3 ASN A 87 -17.824 -4.400 15.670 1.00 2.34 H new ATOM 0 HD21 ASN A 87 -20.944 -2.219 14.091 1.00 55.44 H new ATOM 0 HD22 ASN A 87 -20.452 -3.765 13.390 1.00 55.44 H new ATOM 1441 N LEU A 88 -17.469 -2.828 11.558 1.00 20.43 N ATOM 1442 CA LEU A 88 -18.055 -2.538 10.256 1.00 74.43 C ATOM 1443 C LEU A 88 -17.662 -3.590 9.227 1.00 13.45 C ATOM 1444 O LEU A 88 -18.474 -3.976 8.387 1.00 4.21 O ATOM 1445 CB LEU A 88 -17.656 -1.142 9.769 1.00 42.14 C ATOM 1446 CG LEU A 88 -18.238 0.022 10.573 1.00 53.32 C ATOM 1447 CD1 LEU A 88 -19.701 -0.236 10.897 1.00 40.33 C ATOM 1448 CD2 LEU A 88 -17.437 0.268 11.841 1.00 64.42 C ATOM 0 H LEU A 88 -16.725 -2.191 11.842 1.00 20.43 H new ATOM 0 HA LEU A 88 -19.138 -2.564 10.374 1.00 74.43 H new ATOM 0 HB2 LEU A 88 -16.569 -1.066 9.786 1.00 42.14 H new ATOM 0 HB3 LEU A 88 -17.967 -1.035 8.730 1.00 42.14 H new ATOM 0 HG LEU A 88 -18.174 0.922 9.962 1.00 53.32 H new ATOM 0 HD11 LEU A 88 -20.100 0.601 11.469 1.00 40.33 H new ATOM 0 HD12 LEU A 88 -20.265 -0.344 9.971 1.00 40.33 H new ATOM 0 HD13 LEU A 88 -19.788 -1.151 11.484 1.00 40.33 H new ATOM 0 HD21 LEU A 88 -17.874 1.101 12.392 1.00 64.42 H new ATOM 0 HD22 LEU A 88 -17.455 -0.627 12.462 1.00 64.42 H new ATOM 0 HD23 LEU A 88 -16.406 0.507 11.580 1.00 64.42 H new ATOM 1460 N LEU A 89 -16.423 -4.061 9.299 1.00 73.04 N ATOM 1461 CA LEU A 89 -15.962 -5.107 8.397 1.00 64.41 C ATOM 1462 C LEU A 89 -15.778 -6.416 9.156 1.00 54.32 C ATOM 1463 O LEU A 89 -15.890 -7.505 8.593 1.00 51.42 O ATOM 1464 CB LEU A 89 -14.648 -4.694 7.721 1.00 52.34 C ATOM 1465 CG LEU A 89 -13.944 -5.798 6.936 1.00 61.14 C ATOM 1466 CD1 LEU A 89 -14.600 -6.015 5.584 1.00 63.11 C ATOM 1467 CD2 LEU A 89 -12.467 -5.481 6.800 1.00 34.22 C ATOM 0 H LEU A 89 -15.724 -3.737 9.968 1.00 73.04 H new ATOM 0 HA LEU A 89 -16.716 -5.254 7.624 1.00 64.41 H new ATOM 0 HB2 LEU A 89 -14.851 -3.863 7.045 1.00 52.34 H new ATOM 0 HB3 LEU A 89 -13.966 -4.323 8.486 1.00 52.34 H new ATOM 0 HG LEU A 89 -14.039 -6.733 7.488 1.00 61.14 H new ATOM 0 HD11 LEU A 89 -14.077 -6.807 5.049 1.00 63.11 H new ATOM 0 HD12 LEU A 89 -15.642 -6.301 5.727 1.00 63.11 H new ATOM 0 HD13 LEU A 89 -14.553 -5.093 5.005 1.00 63.11 H new ATOM 0 HD21 LEU A 89 -11.975 -6.275 6.238 1.00 34.22 H new ATOM 0 HD22 LEU A 89 -12.345 -4.535 6.273 1.00 34.22 H new ATOM 0 HD23 LEU A 89 -12.018 -5.405 7.791 1.00 34.22 H new ATOM 1479 N LEU A 90 -15.532 -6.294 10.447 1.00 61.22 N ATOM 1480 CA LEU A 90 -15.133 -7.426 11.273 1.00 53.13 C ATOM 1481 C LEU A 90 -16.275 -7.917 12.170 1.00 64.33 C ATOM 1482 O LEU A 90 -16.031 -8.527 13.211 1.00 33.51 O ATOM 1483 CB LEU A 90 -13.950 -6.993 12.135 1.00 41.34 C ATOM 1484 CG LEU A 90 -12.922 -6.121 11.409 1.00 42.15 C ATOM 1485 CD1 LEU A 90 -12.090 -5.346 12.409 1.00 5.31 C ATOM 1486 CD2 LEU A 90 -12.022 -6.957 10.514 1.00 63.21 C ATOM 0 H LEU A 90 -15.602 -5.412 10.954 1.00 61.22 H new ATOM 0 HA LEU A 90 -14.860 -8.255 10.620 1.00 53.13 H new ATOM 0 HB2 LEU A 90 -14.327 -6.445 12.999 1.00 41.34 H new ATOM 0 HB3 LEU A 90 -13.449 -7.883 12.516 1.00 41.34 H new ATOM 0 HG LEU A 90 -13.466 -5.418 10.778 1.00 42.15 H new ATOM 0 HD11 LEU A 90 -11.363 -4.731 11.878 1.00 5.31 H new ATOM 0 HD12 LEU A 90 -12.741 -4.706 13.006 1.00 5.31 H new ATOM 0 HD13 LEU A 90 -11.566 -6.042 13.064 1.00 5.31 H new ATOM 0 HD21 LEU A 90 -11.303 -6.308 10.013 1.00 63.21 H new ATOM 0 HD22 LEU A 90 -11.489 -7.691 11.118 1.00 63.21 H new ATOM 0 HD23 LEU A 90 -12.628 -7.472 9.768 1.00 63.21 H new ATOM 1498 N TYR A 91 -17.515 -7.662 11.766 1.00 33.43 N ATOM 1499 CA TYR A 91 -18.672 -8.067 12.565 1.00 14.55 C ATOM 1500 C TYR A 91 -18.906 -9.574 12.494 1.00 3.50 C ATOM 1501 O TYR A 91 -18.396 -10.261 11.600 1.00 44.31 O ATOM 1502 CB TYR A 91 -19.938 -7.334 12.109 1.00 41.32 C ATOM 1503 CG TYR A 91 -20.334 -7.619 10.678 1.00 34.04 C ATOM 1504 CD1 TYR A 91 -21.072 -8.752 10.350 1.00 64.41 C ATOM 1505 CD2 TYR A 91 -19.964 -6.758 9.655 1.00 5.31 C ATOM 1506 CE1 TYR A 91 -21.428 -9.014 9.044 1.00 61.43 C ATOM 1507 CE2 TYR A 91 -20.316 -7.015 8.346 1.00 0.22 C ATOM 1508 CZ TYR A 91 -21.048 -8.145 8.046 1.00 60.15 C ATOM 1509 OH TYR A 91 -21.393 -8.413 6.743 1.00 12.13 O ATOM 0 H TYR A 91 -17.747 -7.181 10.897 1.00 33.43 H new ATOM 0 HA TYR A 91 -18.453 -7.798 13.598 1.00 14.55 H new ATOM 0 HB2 TYR A 91 -20.763 -7.612 12.765 1.00 41.32 H new ATOM 0 HB3 TYR A 91 -19.786 -6.261 12.226 1.00 41.32 H new ATOM 0 HD1 TYR A 91 -21.370 -9.437 11.130 1.00 64.41 H new ATOM 0 HD2 TYR A 91 -19.391 -5.872 9.887 1.00 5.31 H new ATOM 0 HE1 TYR A 91 -22.002 -9.897 8.805 1.00 61.43 H new ATOM 0 HE2 TYR A 91 -20.020 -6.335 7.561 1.00 0.22 H new ATOM 0 HH TYR A 91 -21.050 -7.703 6.161 1.00 12.13 H new ATOM 1519 N SER A 92 -19.714 -10.071 13.420 1.00 63.30 N ATOM 1520 CA SER A 92 -20.041 -11.483 13.478 1.00 30.12 C ATOM 1521 C SER A 92 -21.212 -11.788 12.548 1.00 54.33 C ATOM 1522 O SER A 92 -22.206 -11.062 12.519 1.00 43.35 O ATOM 1523 CB SER A 92 -20.382 -11.885 14.912 1.00 31.24 C ATOM 1524 OG SER A 92 -19.337 -11.526 15.803 1.00 13.25 O ATOM 0 H SER A 92 -20.157 -9.509 14.146 1.00 63.30 H new ATOM 0 HA SER A 92 -19.176 -12.060 13.151 1.00 30.12 H new ATOM 0 HB2 SER A 92 -21.309 -11.400 15.219 1.00 31.24 H new ATOM 0 HB3 SER A 92 -20.553 -12.960 14.961 1.00 31.24 H new ATOM 0 HG SER A 92 -19.579 -11.792 16.715 1.00 13.25 H new ATOM 1530 N CYS A 93 -21.074 -12.851 11.779 1.00 71.55 N ATOM 1531 CA CYS A 93 -22.086 -13.234 10.807 1.00 3.41 C ATOM 1532 C CYS A 93 -22.307 -14.736 10.841 1.00 34.13 C ATOM 1533 O CYS A 93 -21.638 -15.448 11.588 1.00 10.10 O ATOM 1534 CB CYS A 93 -21.631 -12.848 9.415 1.00 2.43 C ATOM 1535 SG CYS A 93 -20.357 -13.964 8.753 1.00 64.03 S ATOM 0 H CYS A 93 -20.264 -13.471 11.808 1.00 71.55 H new ATOM 0 HA CYS A 93 -23.014 -12.720 11.056 1.00 3.41 H new ATOM 0 HB2 CYS A 93 -22.490 -12.847 8.744 1.00 2.43 H new ATOM 0 HB3 CYS A 93 -21.241 -11.830 9.435 1.00 2.43 H new ATOM 0 HG CYS A 93 -19.737 -13.380 7.771 1.00 64.03 H new ATOM 1540 N ASN A 94 -23.214 -15.225 10.012 1.00 53.04 N ATOM 1541 CA ASN A 94 -23.448 -16.653 9.921 1.00 44.43 C ATOM 1542 C ASN A 94 -23.040 -17.191 8.553 1.00 5.53 C ATOM 1543 O ASN A 94 -23.877 -17.388 7.678 1.00 15.42 O ATOM 1544 CB ASN A 94 -24.918 -16.984 10.208 1.00 45.22 C ATOM 1545 CG ASN A 94 -25.190 -18.479 10.223 1.00 1.12 C ATOM 1546 OD1 ASN A 94 -25.531 -19.074 9.201 1.00 4.13 O ATOM 1547 ND2 ASN A 94 -25.049 -19.099 11.383 1.00 23.21 N ATOM 0 H ASN A 94 -23.796 -14.657 9.397 1.00 53.04 H new ATOM 0 HA ASN A 94 -22.830 -17.139 10.676 1.00 44.43 H new ATOM 0 HB2 ASN A 94 -25.201 -16.558 11.170 1.00 45.22 H new ATOM 0 HB3 ASN A 94 -25.547 -16.512 9.453 1.00 45.22 H new ATOM 0 HD21 ASN A 94 -25.224 -20.102 11.450 1.00 23.21 H new ATOM 0 HD22 ASN A 94 -24.765 -18.575 12.210 1.00 23.21 H new ATOM 1554 N CYS A 95 -21.737 -17.349 8.337 1.00 70.23 N ATOM 1555 CA CYS A 95 -21.266 -18.160 7.226 1.00 40.35 C ATOM 1556 C CYS A 95 -20.893 -19.550 7.729 1.00 34.01 C ATOM 1557 O CYS A 95 -20.493 -20.422 6.959 1.00 22.44 O ATOM 1558 CB CYS A 95 -20.083 -17.504 6.525 1.00 52.11 C ATOM 1559 SG CYS A 95 -20.561 -16.062 5.531 1.00 3.41 S ATOM 0 H CYS A 95 -21.001 -16.932 8.908 1.00 70.23 H new ATOM 0 HA CYS A 95 -22.070 -18.248 6.495 1.00 40.35 H new ATOM 0 HB2 CYS A 95 -19.350 -17.198 7.271 1.00 52.11 H new ATOM 0 HB3 CYS A 95 -19.596 -18.237 5.882 1.00 52.11 H new ATOM 0 HG CYS A 95 -20.004 -16.139 4.359 1.00 3.41 H new