USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 Single : A 1 MET CE :methyl -136:sc= 0 (180deg=-0.0948) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0779 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -150:sc= -0.894 (180deg=-2.08!) USER MOD Single : A 18 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.38) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -3:sc= 0.103 USER MOD Single : A 37 SER OG : rot 180:sc= -0.623 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.903 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= -0.0354 (180deg=-0.426) USER MOD Single : A 45 MET CE :methyl 171:sc= -1.27 (180deg=-1.41) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 58 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.036) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -91:sc= 1.28 USER MOD Single : A 71 THR OG1 : rot -150:sc= -0.637 USER MOD Single : A 80 MET CE :methyl 160:sc= -2.09! (180deg=-3.59!) USER MOD Single : A 81 MET CE :methyl -108:sc= -1.23 (180deg=-2.18) USER MOD Single : A 84 CYS SG : rot -32:sc= 0.0274 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -156:sc=-0.00868 (180deg=-0.239) USER MOD Single : A 89 SER OG : rot 68:sc= 0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.657 -2.328 -0.698 1.00 2.33 N ATOM 2 CA MET A 1 2.745 -2.101 -1.642 1.00 61.11 C ATOM 3 C MET A 1 4.051 -2.692 -1.120 1.00 34.34 C ATOM 4 O MET A 1 4.235 -2.843 0.088 1.00 1.03 O ATOM 5 CB MET A 1 2.918 -0.604 -1.904 1.00 4.23 C ATOM 6 CG MET A 1 3.937 -0.290 -2.987 1.00 62.13 C ATOM 7 SD MET A 1 4.019 1.469 -3.376 1.00 32.31 S ATOM 8 CE MET A 1 4.692 1.418 -5.035 1.00 12.10 C ATOM 0 H1 MET A 1 1.057 -1.480 -0.649 1.00 2.33 H new ATOM 0 H2 MET A 1 1.086 -3.138 -1.014 1.00 2.33 H new ATOM 0 H3 MET A 1 2.050 -2.528 0.244 1.00 2.33 H new ATOM 0 HA MET A 1 2.490 -2.599 -2.577 1.00 61.11 H new ATOM 0 HB2 MET A 1 1.955 -0.180 -2.189 1.00 4.23 H new ATOM 0 HB3 MET A 1 3.221 -0.114 -0.979 1.00 4.23 H new ATOM 0 HG2 MET A 1 4.920 -0.633 -2.665 1.00 62.13 H new ATOM 0 HG3 MET A 1 3.685 -0.846 -3.890 1.00 62.13 H new ATOM 0 HE1 MET A 1 5.471 2.174 -5.135 1.00 12.10 H new ATOM 0 HE2 MET A 1 5.117 0.432 -5.225 1.00 12.10 H new ATOM 0 HE3 MET A 1 3.899 1.617 -5.756 1.00 12.10 H new ATOM 18 N ASP A 2 4.953 -3.025 -2.036 1.00 74.51 N ATOM 19 CA ASP A 2 6.241 -3.600 -1.667 1.00 44.53 C ATOM 20 C ASP A 2 7.335 -3.142 -2.628 1.00 32.12 C ATOM 21 O ASP A 2 7.057 -2.770 -3.768 1.00 64.11 O ATOM 22 CB ASP A 2 6.160 -5.127 -1.658 1.00 54.21 C ATOM 23 CG ASP A 2 5.363 -5.657 -0.482 1.00 54.34 C ATOM 24 OD1 ASP A 2 4.125 -5.487 -0.479 1.00 2.40 O ATOM 25 OD2 ASP A 2 5.976 -6.242 0.434 1.00 60.40 O ATOM 0 H ASP A 2 4.816 -2.907 -3.040 1.00 74.51 H new ATOM 0 HA ASP A 2 6.492 -3.252 -0.665 1.00 44.53 H new ATOM 0 HB2 ASP A 2 5.703 -5.469 -2.587 1.00 54.21 H new ATOM 0 HB3 ASP A 2 7.168 -5.541 -1.627 1.00 54.21 H new ATOM 30 N ASP A 3 8.577 -3.172 -2.159 1.00 3.54 N ATOM 31 CA ASP A 3 9.713 -2.760 -2.976 1.00 30.03 C ATOM 32 C ASP A 3 10.000 -3.789 -4.065 1.00 53.42 C ATOM 33 O ASP A 3 10.557 -3.459 -5.112 1.00 45.22 O ATOM 34 CB ASP A 3 10.953 -2.565 -2.102 1.00 21.11 C ATOM 35 CG ASP A 3 10.662 -1.751 -0.856 1.00 73.35 C ATOM 36 OD1 ASP A 3 10.724 -0.507 -0.933 1.00 42.35 O ATOM 37 OD2 ASP A 3 10.372 -2.359 0.196 1.00 61.14 O ATOM 0 H ASP A 3 8.823 -3.477 -1.217 1.00 3.54 H new ATOM 0 HA ASP A 3 9.462 -1.813 -3.453 1.00 30.03 H new ATOM 0 HB2 ASP A 3 11.346 -3.539 -1.812 1.00 21.11 H new ATOM 0 HB3 ASP A 3 11.729 -2.068 -2.684 1.00 21.11 H new ATOM 42 N ILE A 4 9.616 -5.035 -3.811 1.00 13.12 N ATOM 43 CA ILE A 4 9.832 -6.111 -4.770 1.00 34.11 C ATOM 44 C ILE A 4 8.957 -5.930 -6.006 1.00 1.51 C ATOM 45 O ILE A 4 9.354 -6.281 -7.117 1.00 41.12 O ATOM 46 CB ILE A 4 9.539 -7.488 -4.146 1.00 23.41 C ATOM 47 CG1 ILE A 4 9.809 -8.600 -5.162 1.00 33.42 C ATOM 48 CG2 ILE A 4 8.102 -7.552 -3.652 1.00 12.32 C ATOM 49 CD1 ILE A 4 10.488 -9.813 -4.565 1.00 4.43 C ATOM 0 H ILE A 4 9.154 -5.324 -2.949 1.00 13.12 H new ATOM 0 HA ILE A 4 10.882 -6.068 -5.061 1.00 34.11 H new ATOM 0 HB ILE A 4 10.202 -7.632 -3.293 1.00 23.41 H new ATOM 0 HG12 ILE A 4 8.865 -8.907 -5.612 1.00 33.42 H new ATOM 0 HG13 ILE A 4 10.431 -8.204 -5.965 1.00 33.42 H new ATOM 0 HG21 ILE A 4 7.911 -8.532 -3.214 1.00 12.32 H new ATOM 0 HG22 ILE A 4 7.941 -6.780 -2.899 1.00 12.32 H new ATOM 0 HG23 ILE A 4 7.422 -7.390 -4.488 1.00 12.32 H new ATOM 0 HD11 ILE A 4 10.648 -10.560 -5.343 1.00 4.43 H new ATOM 0 HD12 ILE A 4 11.448 -9.520 -4.140 1.00 4.43 H new ATOM 0 HD13 ILE A 4 9.858 -10.234 -3.782 1.00 4.43 H new ATOM 61 N TYR A 5 7.766 -5.377 -5.805 1.00 31.21 N ATOM 62 CA TYR A 5 6.834 -5.149 -6.903 1.00 2.11 C ATOM 63 C TYR A 5 7.137 -3.831 -7.610 1.00 22.24 C ATOM 64 O TYR A 5 7.132 -3.756 -8.839 1.00 30.05 O ATOM 65 CB TYR A 5 5.395 -5.144 -6.385 1.00 52.34 C ATOM 66 CG TYR A 5 4.932 -6.487 -5.870 1.00 31.55 C ATOM 67 CD1 TYR A 5 5.251 -7.660 -6.544 1.00 11.30 C ATOM 68 CD2 TYR A 5 4.175 -6.585 -4.709 1.00 31.04 C ATOM 69 CE1 TYR A 5 4.830 -8.890 -6.077 1.00 13.21 C ATOM 70 CE2 TYR A 5 3.751 -7.811 -4.233 1.00 54.24 C ATOM 71 CZ TYR A 5 4.080 -8.960 -4.921 1.00 63.11 C ATOM 72 OH TYR A 5 3.658 -10.183 -4.452 1.00 3.13 O ATOM 0 H TYR A 5 7.423 -5.078 -4.892 1.00 31.21 H new ATOM 0 HA TYR A 5 6.952 -5.961 -7.621 1.00 2.11 H new ATOM 0 HB2 TYR A 5 5.308 -4.408 -5.585 1.00 52.34 H new ATOM 0 HB3 TYR A 5 4.730 -4.823 -7.187 1.00 52.34 H new ATOM 0 HD1 TYR A 5 5.838 -7.609 -7.449 1.00 11.30 H new ATOM 0 HD2 TYR A 5 3.913 -5.687 -4.169 1.00 31.04 H new ATOM 0 HE1 TYR A 5 5.086 -9.792 -6.614 1.00 13.21 H new ATOM 0 HE2 TYR A 5 3.165 -7.869 -3.327 1.00 54.24 H new ATOM 0 HH TYR A 5 3.142 -10.057 -3.628 1.00 3.13 H new ATOM 82 N LYS A 6 7.402 -2.793 -6.824 1.00 30.34 N ATOM 83 CA LYS A 6 7.710 -1.477 -7.371 1.00 32.32 C ATOM 84 C LYS A 6 8.972 -1.525 -8.226 1.00 30.31 C ATOM 85 O LYS A 6 9.151 -0.711 -9.131 1.00 3.33 O ATOM 86 CB LYS A 6 7.885 -0.460 -6.241 1.00 20.54 C ATOM 87 CG LYS A 6 9.278 -0.458 -5.635 1.00 31.41 C ATOM 88 CD LYS A 6 10.178 0.563 -6.310 1.00 21.20 C ATOM 89 CE LYS A 6 11.617 0.075 -6.383 1.00 51.34 C ATOM 90 NZ LYS A 6 12.387 0.432 -5.159 1.00 75.24 N ATOM 0 H LYS A 6 7.410 -2.838 -5.805 1.00 30.34 H new ATOM 0 HA LYS A 6 6.876 -1.169 -8.002 1.00 32.32 H new ATOM 0 HB2 LYS A 6 7.662 0.536 -6.623 1.00 20.54 H new ATOM 0 HB3 LYS A 6 7.157 -0.671 -5.457 1.00 20.54 H new ATOM 0 HG2 LYS A 6 9.212 -0.238 -4.569 1.00 31.41 H new ATOM 0 HG3 LYS A 6 9.718 -1.451 -5.729 1.00 31.41 H new ATOM 0 HD2 LYS A 6 9.810 0.766 -7.316 1.00 21.20 H new ATOM 0 HD3 LYS A 6 10.139 1.504 -5.761 1.00 21.20 H new ATOM 0 HE2 LYS A 6 11.627 -1.007 -6.516 1.00 51.34 H new ATOM 0 HE3 LYS A 6 12.103 0.508 -7.257 1.00 51.34 H new ATOM 0 HZ1 LYS A 6 13.362 0.082 -5.248 1.00 75.24 H new ATOM 0 HZ2 LYS A 6 12.399 1.466 -5.046 1.00 75.24 H new ATOM 0 HZ3 LYS A 6 11.938 -0.002 -4.327 1.00 75.24 H new ATOM 104 N ALA A 7 9.843 -2.486 -7.934 1.00 10.31 N ATOM 105 CA ALA A 7 11.086 -2.642 -8.678 1.00 43.45 C ATOM 106 C ALA A 7 10.814 -3.052 -10.122 1.00 1.42 C ATOM 107 O ALA A 7 11.424 -2.526 -11.052 1.00 4.50 O ATOM 108 CB ALA A 7 11.984 -3.664 -7.998 1.00 4.02 C ATOM 0 H ALA A 7 9.710 -3.168 -7.187 1.00 10.31 H new ATOM 0 HA ALA A 7 11.596 -1.679 -8.691 1.00 43.45 H new ATOM 0 HB1 ALA A 7 12.909 -3.770 -8.565 1.00 4.02 H new ATOM 0 HB2 ALA A 7 12.215 -3.330 -6.987 1.00 4.02 H new ATOM 0 HB3 ALA A 7 11.473 -4.626 -7.954 1.00 4.02 H new ATOM 114 N ALA A 8 9.895 -3.994 -10.301 1.00 34.30 N ATOM 115 CA ALA A 8 9.541 -4.474 -11.631 1.00 41.43 C ATOM 116 C ALA A 8 8.586 -3.509 -12.327 1.00 22.14 C ATOM 117 O ALA A 8 8.534 -3.449 -13.555 1.00 71.01 O ATOM 118 CB ALA A 8 8.923 -5.861 -11.545 1.00 71.24 C ATOM 0 H ALA A 8 9.381 -4.441 -9.541 1.00 34.30 H new ATOM 0 HA ALA A 8 10.454 -4.532 -12.224 1.00 41.43 H new ATOM 0 HB1 ALA A 8 8.664 -6.206 -12.546 1.00 71.24 H new ATOM 0 HB2 ALA A 8 9.638 -6.551 -11.097 1.00 71.24 H new ATOM 0 HB3 ALA A 8 8.024 -5.821 -10.931 1.00 71.24 H new ATOM 124 N VAL A 9 7.831 -2.756 -11.533 1.00 4.11 N ATOM 125 CA VAL A 9 6.878 -1.794 -12.072 1.00 41.44 C ATOM 126 C VAL A 9 7.593 -0.579 -12.654 1.00 12.13 C ATOM 127 O VAL A 9 7.296 -0.146 -13.766 1.00 55.15 O ATOM 128 CB VAL A 9 5.884 -1.323 -10.994 1.00 21.30 C ATOM 129 CG1 VAL A 9 4.956 -0.256 -11.552 1.00 55.25 C ATOM 130 CG2 VAL A 9 5.090 -2.502 -10.452 1.00 12.02 C ATOM 0 H VAL A 9 7.861 -2.794 -10.514 1.00 4.11 H new ATOM 0 HA VAL A 9 6.329 -2.303 -12.864 1.00 41.44 H new ATOM 0 HB VAL A 9 6.448 -0.884 -10.171 1.00 21.30 H new ATOM 0 HG11 VAL A 9 4.261 0.064 -10.776 1.00 55.25 H new ATOM 0 HG12 VAL A 9 5.544 0.598 -11.887 1.00 55.25 H new ATOM 0 HG13 VAL A 9 4.397 -0.664 -12.394 1.00 55.25 H new ATOM 0 HG21 VAL A 9 4.392 -2.152 -9.691 1.00 12.02 H new ATOM 0 HG22 VAL A 9 4.535 -2.972 -11.264 1.00 12.02 H new ATOM 0 HG23 VAL A 9 5.773 -3.229 -10.011 1.00 12.02 H new ATOM 140 N GLU A 10 8.537 -0.034 -11.893 1.00 32.24 N ATOM 141 CA GLU A 10 9.294 1.132 -12.333 1.00 71.41 C ATOM 142 C GLU A 10 10.191 0.782 -13.517 1.00 53.44 C ATOM 143 O GLU A 10 10.523 1.643 -14.332 1.00 1.24 O ATOM 144 CB GLU A 10 10.140 1.682 -11.183 1.00 63.13 C ATOM 145 CG GLU A 10 9.476 2.821 -10.429 1.00 55.22 C ATOM 146 CD GLU A 10 10.278 4.106 -10.488 1.00 0.50 C ATOM 147 OE1 GLU A 10 11.506 4.051 -10.269 1.00 31.55 O ATOM 148 OE2 GLU A 10 9.677 5.169 -10.754 1.00 22.41 O ATOM 0 H GLU A 10 8.796 -0.381 -10.969 1.00 32.24 H new ATOM 0 HA GLU A 10 8.584 1.896 -12.650 1.00 71.41 H new ATOM 0 HB2 GLU A 10 10.358 0.874 -10.485 1.00 63.13 H new ATOM 0 HB3 GLU A 10 11.095 2.028 -11.579 1.00 63.13 H new ATOM 0 HG2 GLU A 10 8.484 2.997 -10.845 1.00 55.22 H new ATOM 0 HG3 GLU A 10 9.338 2.531 -9.387 1.00 55.22 H new ATOM 155 N GLN A 11 10.578 -0.486 -13.605 1.00 2.02 N ATOM 156 CA GLN A 11 11.437 -0.949 -14.688 1.00 43.22 C ATOM 157 C GLN A 11 10.607 -1.417 -15.879 1.00 23.42 C ATOM 158 O GLN A 11 11.126 -2.047 -16.802 1.00 4.33 O ATOM 159 CB GLN A 11 12.340 -2.084 -14.202 1.00 70.02 C ATOM 160 CG GLN A 11 11.689 -3.456 -14.283 1.00 4.42 C ATOM 161 CD GLN A 11 12.513 -4.533 -13.606 1.00 65.11 C ATOM 162 OE1 GLN A 11 13.536 -4.249 -12.981 1.00 55.51 O ATOM 163 NE2 GLN A 11 12.072 -5.780 -13.727 1.00 43.31 N ATOM 0 H GLN A 11 10.310 -1.211 -12.939 1.00 2.02 H new ATOM 0 HA GLN A 11 12.058 -0.113 -15.008 1.00 43.22 H new ATOM 0 HB2 GLN A 11 13.254 -2.089 -14.795 1.00 70.02 H new ATOM 0 HB3 GLN A 11 12.631 -1.889 -13.170 1.00 70.02 H new ATOM 0 HG2 GLN A 11 10.703 -3.414 -13.821 1.00 4.42 H new ATOM 0 HG3 GLN A 11 11.540 -3.722 -15.329 1.00 4.42 H new ATOM 0 HE21 GLN A 11 11.220 -5.971 -14.254 1.00 43.31 H new ATOM 0 HE22 GLN A 11 12.586 -6.547 -13.293 1.00 43.31 H new ATOM 172 N LEU A 12 9.316 -1.107 -15.852 1.00 31.42 N ATOM 173 CA LEU A 12 8.413 -1.497 -16.929 1.00 72.22 C ATOM 174 C LEU A 12 8.747 -0.751 -18.217 1.00 24.11 C ATOM 175 O LEU A 12 9.634 0.103 -18.240 1.00 51.44 O ATOM 176 CB LEU A 12 6.962 -1.223 -16.530 1.00 0.34 C ATOM 177 CG LEU A 12 6.328 -2.231 -15.571 1.00 33.10 C ATOM 178 CD1 LEU A 12 4.953 -1.755 -15.128 1.00 51.13 C ATOM 179 CD2 LEU A 12 6.234 -3.602 -16.224 1.00 63.34 C ATOM 0 H LEU A 12 8.871 -0.587 -15.096 1.00 31.42 H new ATOM 0 HA LEU A 12 8.539 -2.565 -17.106 1.00 72.22 H new ATOM 0 HB2 LEU A 12 6.913 -0.235 -16.072 1.00 0.34 H new ATOM 0 HB3 LEU A 12 6.358 -1.185 -17.437 1.00 0.34 H new ATOM 0 HG LEU A 12 6.963 -2.313 -14.689 1.00 33.10 H new ATOM 0 HD11 LEU A 12 4.517 -2.485 -14.446 1.00 51.13 H new ATOM 0 HD12 LEU A 12 5.046 -0.795 -14.620 1.00 51.13 H new ATOM 0 HD13 LEU A 12 4.308 -1.643 -16.000 1.00 51.13 H new ATOM 0 HD21 LEU A 12 5.780 -4.307 -15.527 1.00 63.34 H new ATOM 0 HD22 LEU A 12 5.621 -3.536 -17.123 1.00 63.34 H new ATOM 0 HD23 LEU A 12 7.233 -3.947 -16.490 1.00 63.34 H new ATOM 191 N THR A 13 8.031 -1.078 -19.288 1.00 35.23 N ATOM 192 CA THR A 13 8.250 -0.439 -20.579 1.00 1.11 C ATOM 193 C THR A 13 7.256 0.694 -20.808 1.00 31.23 C ATOM 194 O THR A 13 6.094 0.600 -20.415 1.00 34.21 O ATOM 195 CB THR A 13 8.133 -1.451 -21.734 1.00 54.01 C ATOM 196 OG1 THR A 13 9.159 -2.443 -21.623 1.00 4.21 O ATOM 197 CG2 THR A 13 8.241 -0.751 -23.080 1.00 54.42 C ATOM 0 H THR A 13 7.294 -1.783 -19.286 1.00 35.23 H new ATOM 0 HA THR A 13 9.261 -0.033 -20.563 1.00 1.11 H new ATOM 0 HB THR A 13 7.156 -1.931 -21.669 1.00 54.01 H new ATOM 0 HG1 THR A 13 9.076 -3.083 -22.360 1.00 4.21 H new ATOM 0 HG21 THR A 13 8.156 -1.486 -23.880 1.00 54.42 H new ATOM 0 HG22 THR A 13 7.440 -0.018 -23.174 1.00 54.42 H new ATOM 0 HG23 THR A 13 9.205 -0.247 -23.152 1.00 54.42 H new ATOM 205 N GLU A 14 7.721 1.763 -21.446 1.00 11.31 N ATOM 206 CA GLU A 14 6.871 2.914 -21.726 1.00 54.33 C ATOM 207 C GLU A 14 5.574 2.481 -22.404 1.00 32.44 C ATOM 208 O GLU A 14 4.491 2.947 -22.050 1.00 24.32 O ATOM 209 CB GLU A 14 7.610 3.919 -22.612 1.00 43.01 C ATOM 210 CG GLU A 14 8.896 4.444 -21.995 1.00 15.22 C ATOM 211 CD GLU A 14 9.775 5.161 -23.000 1.00 65.14 C ATOM 212 OE1 GLU A 14 10.382 4.478 -23.852 1.00 0.02 O ATOM 213 OE2 GLU A 14 9.857 6.406 -22.936 1.00 31.54 O ATOM 0 H GLU A 14 8.681 1.856 -21.779 1.00 11.31 H new ATOM 0 HA GLU A 14 6.624 3.389 -20.777 1.00 54.33 H new ATOM 0 HB2 GLU A 14 7.841 3.447 -23.567 1.00 43.01 H new ATOM 0 HB3 GLU A 14 6.949 4.759 -22.823 1.00 43.01 H new ATOM 0 HG2 GLU A 14 8.652 5.126 -21.180 1.00 15.22 H new ATOM 0 HG3 GLU A 14 9.451 3.613 -21.560 1.00 15.22 H new ATOM 220 N GLU A 15 5.693 1.586 -23.380 1.00 23.14 N ATOM 221 CA GLU A 15 4.531 1.091 -24.107 1.00 72.44 C ATOM 222 C GLU A 15 3.583 0.342 -23.174 1.00 41.24 C ATOM 223 O GLU A 15 2.363 0.450 -23.297 1.00 23.44 O ATOM 224 CB GLU A 15 4.970 0.172 -25.250 1.00 11.31 C ATOM 225 CG GLU A 15 5.313 0.915 -26.530 1.00 54.23 C ATOM 226 CD GLU A 15 4.089 1.225 -27.371 1.00 31.25 C ATOM 227 OE1 GLU A 15 3.080 1.690 -26.801 1.00 52.21 O ATOM 228 OE2 GLU A 15 4.141 1.002 -28.598 1.00 61.33 O ATOM 0 H GLU A 15 6.582 1.190 -23.685 1.00 23.14 H new ATOM 0 HA GLU A 15 4.002 1.949 -24.522 1.00 72.44 H new ATOM 0 HB2 GLU A 15 5.839 -0.403 -24.930 1.00 11.31 H new ATOM 0 HB3 GLU A 15 4.173 -0.543 -25.457 1.00 11.31 H new ATOM 0 HG2 GLU A 15 5.823 1.846 -26.280 1.00 54.23 H new ATOM 0 HG3 GLU A 15 6.010 0.317 -27.117 1.00 54.23 H new ATOM 235 N GLN A 16 4.154 -0.416 -22.244 1.00 3.53 N ATOM 236 CA GLN A 16 3.361 -1.183 -21.291 1.00 54.12 C ATOM 237 C GLN A 16 2.494 -0.262 -20.439 1.00 35.32 C ATOM 238 O GLN A 16 1.270 -0.399 -20.405 1.00 44.12 O ATOM 239 CB GLN A 16 4.273 -2.020 -20.393 1.00 33.02 C ATOM 240 CG GLN A 16 4.952 -3.171 -21.118 1.00 55.42 C ATOM 241 CD GLN A 16 4.031 -4.359 -21.318 1.00 42.42 C ATOM 242 OE1 GLN A 16 3.376 -4.484 -22.353 1.00 44.14 O ATOM 243 NE2 GLN A 16 3.977 -5.239 -20.326 1.00 34.12 N ATOM 0 H GLN A 16 5.163 -0.515 -22.130 1.00 3.53 H new ATOM 0 HA GLN A 16 2.707 -1.849 -21.854 1.00 54.12 H new ATOM 0 HB2 GLN A 16 5.036 -1.373 -19.961 1.00 33.02 H new ATOM 0 HB3 GLN A 16 3.687 -2.419 -19.565 1.00 33.02 H new ATOM 0 HG2 GLN A 16 5.308 -2.825 -22.088 1.00 55.42 H new ATOM 0 HG3 GLN A 16 5.828 -3.486 -20.551 1.00 55.42 H new ATOM 0 HE21 GLN A 16 4.537 -5.095 -19.486 1.00 34.12 H new ATOM 0 HE22 GLN A 16 3.375 -6.059 -20.404 1.00 34.12 H new ATOM 252 N LYS A 17 3.135 0.676 -19.750 1.00 74.02 N ATOM 253 CA LYS A 17 2.423 1.621 -18.898 1.00 20.24 C ATOM 254 C LYS A 17 1.307 2.317 -19.670 1.00 70.21 C ATOM 255 O LYS A 17 0.239 2.590 -19.124 1.00 40.52 O ATOM 256 CB LYS A 17 3.393 2.661 -18.334 1.00 2.33 C ATOM 257 CG LYS A 17 4.562 2.056 -17.576 1.00 33.43 C ATOM 258 CD LYS A 17 4.107 1.393 -16.286 1.00 74.45 C ATOM 259 CE LYS A 17 3.762 2.423 -15.222 1.00 35.42 C ATOM 260 NZ LYS A 17 3.523 1.790 -13.895 1.00 15.00 N ATOM 0 H LYS A 17 4.147 0.802 -19.765 1.00 74.02 H new ATOM 0 HA LYS A 17 1.977 1.064 -18.074 1.00 20.24 H new ATOM 0 HB2 LYS A 17 3.778 3.268 -19.153 1.00 2.33 H new ATOM 0 HB3 LYS A 17 2.848 3.331 -17.669 1.00 2.33 H new ATOM 0 HG2 LYS A 17 5.064 1.322 -18.206 1.00 33.43 H new ATOM 0 HG3 LYS A 17 5.291 2.834 -17.349 1.00 33.43 H new ATOM 0 HD2 LYS A 17 3.237 0.768 -16.484 1.00 74.45 H new ATOM 0 HD3 LYS A 17 4.894 0.736 -15.916 1.00 74.45 H new ATOM 0 HE2 LYS A 17 4.574 3.145 -15.139 1.00 35.42 H new ATOM 0 HE3 LYS A 17 2.873 2.976 -15.526 1.00 35.42 H new ATOM 0 HZ1 LYS A 17 2.839 2.359 -13.357 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 3.145 0.831 -14.031 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 4.419 1.737 -13.369 1.00 15.00 H new ATOM 274 N ASN A 18 1.562 2.599 -20.944 1.00 12.04 N ATOM 275 CA ASN A 18 0.578 3.262 -21.791 1.00 54.42 C ATOM 276 C ASN A 18 -0.624 2.356 -22.042 1.00 22.04 C ATOM 277 O ASN A 18 -1.761 2.822 -22.112 1.00 25.32 O ATOM 278 CB ASN A 18 1.212 3.668 -23.123 1.00 75.55 C ATOM 279 CG ASN A 18 1.644 5.121 -23.140 1.00 24.25 C ATOM 280 OD1 ASN A 18 0.896 6.007 -22.727 1.00 44.53 O ATOM 281 ND2 ASN A 18 2.858 5.371 -23.617 1.00 52.35 N ATOM 0 H ASN A 18 2.441 2.379 -21.412 1.00 12.04 H new ATOM 0 HA ASN A 18 0.233 4.157 -21.272 1.00 54.42 H new ATOM 0 HB2 ASN A 18 2.076 3.033 -23.319 1.00 75.55 H new ATOM 0 HB3 ASN A 18 0.499 3.495 -23.929 1.00 75.55 H new ATOM 0 HD21 ASN A 18 3.205 6.330 -23.652 1.00 52.35 H new ATOM 0 HD22 ASN A 18 3.443 4.604 -23.949 1.00 52.35 H new ATOM 288 N GLU A 19 -0.362 1.059 -22.175 1.00 15.41 N ATOM 289 CA GLU A 19 -1.423 0.088 -22.418 1.00 3.22 C ATOM 290 C GLU A 19 -2.319 -0.057 -21.191 1.00 51.24 C ATOM 291 O GLU A 19 -3.537 -0.195 -21.311 1.00 43.53 O ATOM 292 CB GLU A 19 -0.825 -1.270 -22.790 1.00 21.44 C ATOM 293 CG GLU A 19 -0.463 -1.394 -24.260 1.00 73.32 C ATOM 294 CD GLU A 19 -0.418 -2.835 -24.730 1.00 73.25 C ATOM 295 OE1 GLU A 19 -1.476 -3.500 -24.707 1.00 3.50 O ATOM 296 OE2 GLU A 19 0.673 -3.299 -25.121 1.00 42.55 O ATOM 0 H GLU A 19 0.574 0.657 -22.119 1.00 15.41 H new ATOM 0 HA GLU A 19 -2.029 0.450 -23.248 1.00 3.22 H new ATOM 0 HB2 GLU A 19 0.068 -1.441 -22.189 1.00 21.44 H new ATOM 0 HB3 GLU A 19 -1.537 -2.054 -22.533 1.00 21.44 H new ATOM 0 HG2 GLU A 19 -1.190 -0.844 -24.857 1.00 73.32 H new ATOM 0 HG3 GLU A 19 0.508 -0.929 -24.432 1.00 73.32 H new ATOM 303 N PHE A 20 -1.708 -0.025 -20.012 1.00 23.51 N ATOM 304 CA PHE A 20 -2.449 -0.155 -18.763 1.00 10.12 C ATOM 305 C PHE A 20 -3.415 1.012 -18.580 1.00 72.14 C ATOM 306 O PHE A 20 -4.541 0.834 -18.115 1.00 53.14 O ATOM 307 CB PHE A 20 -1.484 -0.223 -17.577 1.00 53.02 C ATOM 308 CG PHE A 20 -0.490 -1.345 -17.677 1.00 13.42 C ATOM 309 CD1 PHE A 20 -0.841 -2.549 -18.265 1.00 54.25 C ATOM 310 CD2 PHE A 20 0.795 -1.195 -17.182 1.00 43.44 C ATOM 311 CE1 PHE A 20 0.071 -3.583 -18.358 1.00 1.34 C ATOM 312 CE2 PHE A 20 1.712 -2.225 -17.272 1.00 44.12 C ATOM 313 CZ PHE A 20 1.350 -3.420 -17.862 1.00 31.25 C ATOM 0 H PHE A 20 -0.701 0.090 -19.895 1.00 23.51 H new ATOM 0 HA PHE A 20 -3.026 -1.079 -18.807 1.00 10.12 H new ATOM 0 HB2 PHE A 20 -0.947 0.722 -17.501 1.00 53.02 H new ATOM 0 HB3 PHE A 20 -2.058 -0.338 -16.658 1.00 53.02 H new ATOM 0 HD1 PHE A 20 -1.839 -2.681 -18.655 1.00 54.25 H new ATOM 0 HD2 PHE A 20 1.084 -0.262 -16.720 1.00 43.44 H new ATOM 0 HE1 PHE A 20 -0.216 -4.517 -18.818 1.00 1.34 H new ATOM 0 HE2 PHE A 20 2.711 -2.096 -16.881 1.00 44.12 H new ATOM 0 HZ PHE A 20 2.065 -4.226 -17.936 1.00 31.25 H new ATOM 323 N LYS A 21 -2.967 2.207 -18.950 1.00 24.14 N ATOM 324 CA LYS A 21 -3.789 3.405 -18.828 1.00 74.54 C ATOM 325 C LYS A 21 -4.904 3.406 -19.869 1.00 54.24 C ATOM 326 O LYS A 21 -5.971 3.978 -19.649 1.00 13.43 O ATOM 327 CB LYS A 21 -2.927 4.659 -18.987 1.00 72.21 C ATOM 328 CG LYS A 21 -3.543 5.903 -18.370 1.00 73.51 C ATOM 329 CD LYS A 21 -2.505 6.991 -18.154 1.00 71.14 C ATOM 330 CE LYS A 21 -3.152 8.305 -17.744 1.00 31.21 C ATOM 331 NZ LYS A 21 -2.147 9.289 -17.254 1.00 32.50 N ATOM 0 H LYS A 21 -2.038 2.372 -19.337 1.00 24.14 H new ATOM 0 HA LYS A 21 -4.241 3.407 -17.836 1.00 74.54 H new ATOM 0 HB2 LYS A 21 -1.954 4.481 -18.530 1.00 72.21 H new ATOM 0 HB3 LYS A 21 -2.753 4.838 -20.048 1.00 72.21 H new ATOM 0 HG2 LYS A 21 -4.335 6.278 -19.019 1.00 73.51 H new ATOM 0 HG3 LYS A 21 -4.006 5.646 -17.417 1.00 73.51 H new ATOM 0 HD2 LYS A 21 -1.800 6.675 -17.385 1.00 71.14 H new ATOM 0 HD3 LYS A 21 -1.933 7.136 -19.070 1.00 71.14 H new ATOM 0 HE2 LYS A 21 -3.688 8.726 -18.594 1.00 31.21 H new ATOM 0 HE3 LYS A 21 -3.889 8.119 -16.963 1.00 31.21 H new ATOM 0 HZ1 LYS A 21 -2.628 10.171 -16.984 1.00 32.50 H new ATOM 0 HZ2 LYS A 21 -1.652 8.898 -16.427 1.00 32.50 H new ATOM 0 HZ3 LYS A 21 -1.458 9.486 -18.008 1.00 32.50 H new ATOM 345 N ALA A 22 -4.650 2.761 -21.003 1.00 52.22 N ATOM 346 CA ALA A 22 -5.634 2.686 -22.076 1.00 62.22 C ATOM 347 C ALA A 22 -6.667 1.599 -21.798 1.00 40.15 C ATOM 348 O ALA A 22 -7.833 1.729 -22.169 1.00 13.44 O ATOM 349 CB ALA A 22 -4.943 2.432 -23.408 1.00 54.32 C ATOM 0 H ALA A 22 -3.771 2.283 -21.202 1.00 52.22 H new ATOM 0 HA ALA A 22 -6.155 3.642 -22.126 1.00 62.22 H new ATOM 0 HB1 ALA A 22 -5.689 2.378 -24.201 1.00 54.32 H new ATOM 0 HB2 ALA A 22 -4.248 3.245 -23.618 1.00 54.32 H new ATOM 0 HB3 ALA A 22 -4.396 1.490 -23.360 1.00 54.32 H new ATOM 355 N ALA A 23 -6.230 0.527 -21.145 1.00 55.23 N ATOM 356 CA ALA A 23 -7.118 -0.581 -20.817 1.00 72.41 C ATOM 357 C ALA A 23 -7.882 -0.309 -19.525 1.00 65.43 C ATOM 358 O ALA A 23 -9.074 -0.597 -19.425 1.00 34.31 O ATOM 359 CB ALA A 23 -6.326 -1.875 -20.702 1.00 73.40 C ATOM 0 H ALA A 23 -5.267 0.403 -20.833 1.00 55.23 H new ATOM 0 HA ALA A 23 -7.845 -0.683 -21.623 1.00 72.41 H new ATOM 0 HB1 ALA A 23 -7.002 -2.694 -20.457 1.00 73.40 H new ATOM 0 HB2 ALA A 23 -5.831 -2.084 -21.650 1.00 73.40 H new ATOM 0 HB3 ALA A 23 -5.577 -1.775 -19.916 1.00 73.40 H new ATOM 365 N PHE A 24 -7.186 0.246 -18.538 1.00 52.03 N ATOM 366 CA PHE A 24 -7.799 0.555 -17.251 1.00 44.25 C ATOM 367 C PHE A 24 -9.017 1.456 -17.431 1.00 44.53 C ATOM 368 O PHE A 24 -9.958 1.412 -16.639 1.00 23.22 O ATOM 369 CB PHE A 24 -6.782 1.230 -16.328 1.00 53.32 C ATOM 370 CG PHE A 24 -7.400 1.849 -15.107 1.00 32.43 C ATOM 371 CD1 PHE A 24 -7.708 1.072 -14.001 1.00 42.13 C ATOM 372 CD2 PHE A 24 -7.674 3.206 -15.064 1.00 41.23 C ATOM 373 CE1 PHE A 24 -8.276 1.638 -12.875 1.00 72.14 C ATOM 374 CE2 PHE A 24 -8.242 3.778 -13.941 1.00 63.43 C ATOM 375 CZ PHE A 24 -8.544 2.992 -12.846 1.00 13.30 C ATOM 0 H PHE A 24 -6.198 0.491 -18.605 1.00 52.03 H new ATOM 0 HA PHE A 24 -8.126 -0.381 -16.798 1.00 44.25 H new ATOM 0 HB2 PHE A 24 -6.041 0.494 -16.017 1.00 53.32 H new ATOM 0 HB3 PHE A 24 -6.251 2.000 -16.887 1.00 53.32 H new ATOM 0 HD1 PHE A 24 -7.502 0.012 -14.019 1.00 42.13 H new ATOM 0 HD2 PHE A 24 -7.441 3.825 -15.918 1.00 41.23 H new ATOM 0 HE1 PHE A 24 -8.510 1.022 -12.019 1.00 72.14 H new ATOM 0 HE2 PHE A 24 -8.449 4.838 -13.920 1.00 63.43 H new ATOM 0 HZ PHE A 24 -8.989 3.436 -11.968 1.00 13.30 H new ATOM 385 N ASP A 25 -8.991 2.274 -18.478 1.00 64.11 N ATOM 386 CA ASP A 25 -10.092 3.186 -18.763 1.00 50.14 C ATOM 387 C ASP A 25 -11.346 2.415 -19.165 1.00 1.45 C ATOM 388 O ASP A 25 -12.466 2.889 -18.970 1.00 61.14 O ATOM 389 CB ASP A 25 -9.700 4.161 -19.875 1.00 32.01 C ATOM 390 CG ASP A 25 -10.717 5.271 -20.056 1.00 44.13 C ATOM 391 OD1 ASP A 25 -11.023 5.963 -19.063 1.00 14.31 O ATOM 392 OD2 ASP A 25 -11.205 5.448 -21.192 1.00 4.32 O ATOM 0 H ASP A 25 -8.219 2.324 -19.143 1.00 64.11 H new ATOM 0 HA ASP A 25 -10.309 3.750 -17.856 1.00 50.14 H new ATOM 0 HB2 ASP A 25 -8.727 4.597 -19.646 1.00 32.01 H new ATOM 0 HB3 ASP A 25 -9.592 3.615 -20.812 1.00 32.01 H new ATOM 397 N ILE A 26 -11.150 1.227 -19.725 1.00 65.14 N ATOM 398 CA ILE A 26 -12.264 0.391 -20.154 1.00 14.34 C ATOM 399 C ILE A 26 -13.018 -0.176 -18.956 1.00 14.44 C ATOM 400 O ILE A 26 -14.230 0.005 -18.829 1.00 23.23 O ATOM 401 CB ILE A 26 -11.787 -0.772 -21.043 1.00 21.13 C ATOM 402 CG1 ILE A 26 -10.734 -0.282 -22.039 1.00 73.34 C ATOM 403 CG2 ILE A 26 -12.965 -1.398 -21.773 1.00 72.44 C ATOM 404 CD1 ILE A 26 -11.171 0.930 -22.832 1.00 5.12 C ATOM 0 H ILE A 26 -10.229 0.821 -19.893 1.00 65.14 H new ATOM 0 HA ILE A 26 -12.932 1.029 -20.733 1.00 14.34 H new ATOM 0 HB ILE A 26 -11.333 -1.533 -20.408 1.00 21.13 H new ATOM 0 HG12 ILE A 26 -9.818 -0.042 -21.499 1.00 73.34 H new ATOM 0 HG13 ILE A 26 -10.494 -1.091 -22.729 1.00 73.34 H new ATOM 0 HG21 ILE A 26 -12.612 -2.219 -22.397 1.00 72.44 H new ATOM 0 HG22 ILE A 26 -13.683 -1.778 -21.046 1.00 72.44 H new ATOM 0 HG23 ILE A 26 -13.446 -0.647 -22.399 1.00 72.44 H new ATOM 0 HD11 ILE A 26 -10.376 1.222 -23.518 1.00 5.12 H new ATOM 0 HD12 ILE A 26 -12.069 0.689 -23.400 1.00 5.12 H new ATOM 0 HD13 ILE A 26 -11.383 1.754 -22.150 1.00 5.12 H new ATOM 416 N PHE A 27 -12.294 -0.860 -18.077 1.00 65.53 N ATOM 417 CA PHE A 27 -12.893 -1.454 -16.888 1.00 15.52 C ATOM 418 C PHE A 27 -13.700 -0.417 -16.111 1.00 3.22 C ATOM 419 O PHE A 27 -14.791 -0.704 -15.619 1.00 54.35 O ATOM 420 CB PHE A 27 -11.810 -2.052 -15.989 1.00 21.15 C ATOM 421 CG PHE A 27 -11.356 -3.416 -16.424 1.00 23.04 C ATOM 422 CD1 PHE A 27 -10.529 -3.567 -17.525 1.00 3.20 C ATOM 423 CD2 PHE A 27 -11.756 -4.548 -15.731 1.00 54.45 C ATOM 424 CE1 PHE A 27 -10.109 -4.820 -17.928 1.00 23.51 C ATOM 425 CE2 PHE A 27 -11.339 -5.804 -16.129 1.00 52.44 C ATOM 426 CZ PHE A 27 -10.515 -5.940 -17.230 1.00 34.44 C ATOM 0 H PHE A 27 -11.290 -1.017 -18.166 1.00 65.53 H new ATOM 0 HA PHE A 27 -13.567 -2.248 -17.209 1.00 15.52 H new ATOM 0 HB2 PHE A 27 -10.952 -1.380 -15.972 1.00 21.15 H new ATOM 0 HB3 PHE A 27 -12.188 -2.112 -14.969 1.00 21.15 H new ATOM 0 HD1 PHE A 27 -10.209 -2.695 -18.075 1.00 3.20 H new ATOM 0 HD2 PHE A 27 -12.401 -4.447 -14.870 1.00 54.45 H new ATOM 0 HE1 PHE A 27 -9.464 -4.923 -18.788 1.00 23.51 H new ATOM 0 HE2 PHE A 27 -11.657 -6.678 -15.580 1.00 52.44 H new ATOM 0 HZ PHE A 27 -10.189 -6.921 -17.544 1.00 34.44 H new ATOM 436 N VAL A 28 -13.153 0.790 -16.003 1.00 50.14 N ATOM 437 CA VAL A 28 -13.820 1.871 -15.287 1.00 72.41 C ATOM 438 C VAL A 28 -14.810 2.599 -16.189 1.00 44.44 C ATOM 439 O VAL A 28 -15.643 3.374 -15.718 1.00 1.14 O ATOM 440 CB VAL A 28 -12.805 2.886 -14.731 1.00 43.41 C ATOM 441 CG1 VAL A 28 -11.745 2.181 -13.899 1.00 3.11 C ATOM 442 CG2 VAL A 28 -12.167 3.676 -15.864 1.00 63.11 C ATOM 0 H VAL A 28 -12.249 1.044 -16.402 1.00 50.14 H new ATOM 0 HA VAL A 28 -14.358 1.415 -14.456 1.00 72.41 H new ATOM 0 HB VAL A 28 -13.334 3.585 -14.084 1.00 43.41 H new ATOM 0 HG11 VAL A 28 -11.037 2.915 -13.515 1.00 3.11 H new ATOM 0 HG12 VAL A 28 -12.221 1.665 -13.065 1.00 3.11 H new ATOM 0 HG13 VAL A 28 -11.217 1.457 -14.520 1.00 3.11 H new ATOM 0 HG21 VAL A 28 -11.452 4.389 -15.453 1.00 63.11 H new ATOM 0 HG22 VAL A 28 -11.651 2.993 -16.539 1.00 63.11 H new ATOM 0 HG23 VAL A 28 -12.940 4.213 -16.413 1.00 63.11 H new ATOM 452 N LEU A 29 -14.713 2.346 -17.490 1.00 1.31 N ATOM 453 CA LEU A 29 -15.600 2.978 -18.460 1.00 73.13 C ATOM 454 C LEU A 29 -17.062 2.718 -18.111 1.00 52.03 C ATOM 455 O LEU A 29 -17.949 3.477 -18.502 1.00 24.52 O ATOM 456 CB LEU A 29 -15.300 2.460 -19.868 1.00 73.30 C ATOM 457 CG LEU A 29 -16.256 1.396 -20.409 1.00 70.05 C ATOM 458 CD1 LEU A 29 -17.437 2.047 -21.112 1.00 40.42 C ATOM 459 CD2 LEU A 29 -15.525 0.453 -21.354 1.00 2.20 C ATOM 0 H LEU A 29 -14.029 1.708 -17.897 1.00 1.31 H new ATOM 0 HA LEU A 29 -15.424 4.053 -18.430 1.00 73.13 H new ATOM 0 HB2 LEU A 29 -15.305 3.307 -20.554 1.00 73.30 H new ATOM 0 HB3 LEU A 29 -14.290 2.050 -19.875 1.00 73.30 H new ATOM 0 HG LEU A 29 -16.635 0.815 -19.568 1.00 70.05 H new ATOM 0 HD11 LEU A 29 -18.106 1.274 -21.490 1.00 40.42 H new ATOM 0 HD12 LEU A 29 -17.976 2.681 -20.407 1.00 40.42 H new ATOM 0 HD13 LEU A 29 -17.077 2.653 -21.943 1.00 40.42 H new ATOM 0 HD21 LEU A 29 -16.221 -0.298 -21.729 1.00 2.20 H new ATOM 0 HD22 LEU A 29 -15.117 1.020 -22.191 1.00 2.20 H new ATOM 0 HD23 LEU A 29 -14.713 -0.040 -20.820 1.00 2.20 H new ATOM 471 N GLY A 30 -17.306 1.641 -17.371 1.00 33.12 N ATOM 472 CA GLY A 30 -18.662 1.301 -16.980 1.00 2.35 C ATOM 473 C GLY A 30 -19.109 2.042 -15.735 1.00 40.42 C ATOM 474 O GLY A 30 -20.305 2.207 -15.499 1.00 54.42 O ATOM 0 H GLY A 30 -16.589 0.998 -17.035 1.00 33.12 H new ATOM 0 HA2 GLY A 30 -19.342 1.531 -17.800 1.00 2.35 H new ATOM 0 HA3 GLY A 30 -18.728 0.227 -16.803 1.00 2.35 H new ATOM 478 N ALA A 31 -18.146 2.489 -14.936 1.00 25.20 N ATOM 479 CA ALA A 31 -18.446 3.216 -13.709 1.00 55.43 C ATOM 480 C ALA A 31 -18.920 4.634 -14.014 1.00 21.43 C ATOM 481 O ALA A 31 -19.074 5.010 -15.175 1.00 73.41 O ATOM 482 CB ALA A 31 -17.225 3.249 -12.802 1.00 55.21 C ATOM 0 H ALA A 31 -17.150 2.360 -15.117 1.00 25.20 H new ATOM 0 HA ALA A 31 -19.252 2.694 -13.194 1.00 55.43 H new ATOM 0 HB1 ALA A 31 -17.464 3.795 -11.890 1.00 55.21 H new ATOM 0 HB2 ALA A 31 -16.932 2.230 -12.549 1.00 55.21 H new ATOM 0 HB3 ALA A 31 -16.403 3.745 -13.317 1.00 55.21 H new ATOM 488 N GLU A 32 -19.149 5.415 -12.963 1.00 31.34 N ATOM 489 CA GLU A 32 -19.607 6.790 -13.119 1.00 43.34 C ATOM 490 C GLU A 32 -18.490 7.776 -12.789 1.00 43.22 C ATOM 491 O GLU A 32 -18.421 8.866 -13.357 1.00 52.24 O ATOM 492 CB GLU A 32 -20.817 7.054 -12.221 1.00 2.30 C ATOM 493 CG GLU A 32 -20.628 6.579 -10.790 1.00 41.02 C ATOM 494 CD GLU A 32 -20.990 5.118 -10.608 1.00 65.33 C ATOM 495 OE1 GLU A 32 -22.080 4.716 -11.065 1.00 33.10 O ATOM 496 OE2 GLU A 32 -20.183 4.376 -10.010 1.00 3.34 O ATOM 0 H GLU A 32 -19.025 5.119 -11.995 1.00 31.34 H new ATOM 0 HA GLU A 32 -19.899 6.932 -14.160 1.00 43.34 H new ATOM 0 HB2 GLU A 32 -21.028 8.123 -12.215 1.00 2.30 H new ATOM 0 HB3 GLU A 32 -21.690 6.559 -12.647 1.00 2.30 H new ATOM 0 HG2 GLU A 32 -19.590 6.732 -10.494 1.00 41.02 H new ATOM 0 HG3 GLU A 32 -21.242 7.187 -10.125 1.00 41.02 H new ATOM 503 N ASP A 33 -17.617 7.385 -11.867 1.00 12.21 N ATOM 504 CA ASP A 33 -16.503 8.233 -11.460 1.00 44.24 C ATOM 505 C ASP A 33 -15.201 7.766 -12.105 1.00 12.01 C ATOM 506 O ASP A 33 -14.327 8.573 -12.417 1.00 62.03 O ATOM 507 CB ASP A 33 -16.361 8.231 -9.937 1.00 54.35 C ATOM 508 CG ASP A 33 -17.505 8.950 -9.249 1.00 41.21 C ATOM 509 OD1 ASP A 33 -17.679 10.161 -9.498 1.00 54.21 O ATOM 510 OD2 ASP A 33 -18.225 8.302 -8.461 1.00 0.13 O ATOM 0 H ASP A 33 -17.659 6.486 -11.387 1.00 12.21 H new ATOM 0 HA ASP A 33 -16.711 9.249 -11.796 1.00 44.24 H new ATOM 0 HB2 ASP A 33 -16.315 7.202 -9.580 1.00 54.35 H new ATOM 0 HB3 ASP A 33 -15.419 8.706 -9.662 1.00 54.35 H new ATOM 515 N GLY A 34 -15.080 6.456 -12.300 1.00 40.31 N ATOM 516 CA GLY A 34 -13.882 5.904 -12.905 1.00 1.21 C ATOM 517 C GLY A 34 -13.179 4.913 -11.999 1.00 31.30 C ATOM 518 O GLY A 34 -11.985 5.048 -11.727 1.00 74.24 O ATOM 0 H GLY A 34 -15.790 5.768 -12.050 1.00 40.31 H new ATOM 0 HA2 GLY A 34 -14.145 5.412 -13.841 1.00 1.21 H new ATOM 0 HA3 GLY A 34 -13.197 6.715 -13.152 1.00 1.21 H new ATOM 522 N CYS A 35 -13.920 3.915 -11.529 1.00 41.40 N ATOM 523 CA CYS A 35 -13.361 2.898 -10.646 1.00 2.13 C ATOM 524 C CYS A 35 -14.006 1.540 -10.903 1.00 41.33 C ATOM 525 O CYS A 35 -14.936 1.426 -11.703 1.00 24.54 O ATOM 526 CB CYS A 35 -13.556 3.300 -9.183 1.00 71.10 C ATOM 527 SG CYS A 35 -12.752 4.855 -8.731 1.00 24.32 S ATOM 0 H CYS A 35 -14.909 3.789 -11.745 1.00 41.40 H new ATOM 0 HA CYS A 35 -12.294 2.818 -10.854 1.00 2.13 H new ATOM 0 HB2 CYS A 35 -14.624 3.383 -8.979 1.00 71.10 H new ATOM 0 HB3 CYS A 35 -13.171 2.505 -8.545 1.00 71.10 H new ATOM 0 HG CYS A 35 -12.086 5.312 -9.750 1.00 24.32 H new ATOM 533 N ILE A 36 -13.506 0.515 -10.223 1.00 24.34 N ATOM 534 CA ILE A 36 -14.033 -0.835 -10.378 1.00 61.15 C ATOM 535 C ILE A 36 -14.496 -1.402 -9.041 1.00 21.41 C ATOM 536 O ILE A 36 -13.712 -1.517 -8.099 1.00 0.12 O ATOM 537 CB ILE A 36 -12.984 -1.782 -10.989 1.00 65.55 C ATOM 538 CG1 ILE A 36 -12.476 -1.226 -12.321 1.00 74.05 C ATOM 539 CG2 ILE A 36 -13.572 -3.173 -11.179 1.00 42.45 C ATOM 540 CD1 ILE A 36 -10.968 -1.207 -12.433 1.00 60.23 C ATOM 0 H ILE A 36 -12.736 0.593 -9.559 1.00 24.34 H new ATOM 0 HA ILE A 36 -14.885 -0.765 -11.054 1.00 61.15 H new ATOM 0 HB ILE A 36 -12.140 -1.856 -10.303 1.00 65.55 H new ATOM 0 HG12 ILE A 36 -12.885 -1.825 -13.135 1.00 74.05 H new ATOM 0 HG13 ILE A 36 -12.854 -0.212 -12.450 1.00 74.05 H new ATOM 0 HG21 ILE A 36 -12.818 -3.831 -11.612 1.00 42.45 H new ATOM 0 HG22 ILE A 36 -13.888 -3.569 -10.214 1.00 42.45 H new ATOM 0 HG23 ILE A 36 -14.431 -3.117 -11.847 1.00 42.45 H new ATOM 0 HD11 ILE A 36 -10.680 -0.801 -13.403 1.00 60.23 H new ATOM 0 HD12 ILE A 36 -10.552 -0.584 -11.641 1.00 60.23 H new ATOM 0 HD13 ILE A 36 -10.583 -2.222 -12.336 1.00 60.23 H new ATOM 552 N SER A 37 -15.775 -1.758 -8.966 1.00 5.33 N ATOM 553 CA SER A 37 -16.343 -2.312 -7.743 1.00 13.24 C ATOM 554 C SER A 37 -16.316 -3.837 -7.773 1.00 41.11 C ATOM 555 O SER A 37 -16.515 -4.453 -8.821 1.00 1.02 O ATOM 556 CB SER A 37 -17.780 -1.820 -7.554 1.00 44.24 C ATOM 557 OG SER A 37 -18.578 -2.134 -8.682 1.00 72.21 O ATOM 0 H SER A 37 -16.437 -1.673 -9.738 1.00 5.33 H new ATOM 0 HA SER A 37 -15.736 -1.972 -6.904 1.00 13.24 H new ATOM 0 HB2 SER A 37 -18.210 -2.276 -6.662 1.00 44.24 H new ATOM 0 HB3 SER A 37 -17.781 -0.742 -7.393 1.00 44.24 H new ATOM 0 HG SER A 37 -19.492 -1.811 -8.536 1.00 72.21 H new ATOM 563 N THR A 38 -16.068 -4.441 -6.615 1.00 63.43 N ATOM 564 CA THR A 38 -16.013 -5.894 -6.508 1.00 3.21 C ATOM 565 C THR A 38 -17.250 -6.538 -7.123 1.00 10.15 C ATOM 566 O THR A 38 -17.198 -7.668 -7.608 1.00 34.20 O ATOM 567 CB THR A 38 -15.889 -6.344 -5.040 1.00 62.21 C ATOM 568 OG1 THR A 38 -16.148 -7.749 -4.935 1.00 42.41 O ATOM 569 CG2 THR A 38 -16.859 -5.577 -4.155 1.00 13.12 C ATOM 0 H THR A 38 -15.902 -3.947 -5.738 1.00 63.43 H new ATOM 0 HA THR A 38 -15.128 -6.218 -7.056 1.00 3.21 H new ATOM 0 HB THR A 38 -14.873 -6.136 -4.704 1.00 62.21 H new ATOM 0 HG1 THR A 38 -16.066 -8.028 -3.999 1.00 42.41 H new ATOM 0 HG21 THR A 38 -16.753 -5.912 -3.123 1.00 13.12 H new ATOM 0 HG22 THR A 38 -16.641 -4.511 -4.215 1.00 13.12 H new ATOM 0 HG23 THR A 38 -17.880 -5.758 -4.492 1.00 13.12 H new ATOM 577 N LYS A 39 -18.363 -5.812 -7.099 1.00 44.14 N ATOM 578 CA LYS A 39 -19.614 -6.311 -7.656 1.00 73.03 C ATOM 579 C LYS A 39 -19.487 -6.542 -9.159 1.00 34.34 C ATOM 580 O LYS A 39 -19.840 -7.608 -9.663 1.00 53.31 O ATOM 581 CB LYS A 39 -20.750 -5.325 -7.375 1.00 74.05 C ATOM 582 CG LYS A 39 -22.081 -5.742 -7.978 1.00 22.31 C ATOM 583 CD LYS A 39 -22.663 -6.950 -7.263 1.00 24.15 C ATOM 584 CE LYS A 39 -23.271 -6.565 -5.923 1.00 2.32 C ATOM 585 NZ LYS A 39 -24.374 -7.485 -5.529 1.00 44.21 N ATOM 0 H LYS A 39 -18.424 -4.876 -6.699 1.00 44.14 H new ATOM 0 HA LYS A 39 -19.841 -7.264 -7.178 1.00 73.03 H new ATOM 0 HB2 LYS A 39 -20.867 -5.217 -6.297 1.00 74.05 H new ATOM 0 HB3 LYS A 39 -20.475 -4.345 -7.766 1.00 74.05 H new ATOM 0 HG2 LYS A 39 -22.784 -4.911 -7.921 1.00 22.31 H new ATOM 0 HG3 LYS A 39 -21.946 -5.973 -9.035 1.00 22.31 H new ATOM 0 HD2 LYS A 39 -23.425 -7.413 -7.890 1.00 24.15 H new ATOM 0 HD3 LYS A 39 -21.882 -7.694 -7.109 1.00 24.15 H new ATOM 0 HE2 LYS A 39 -22.497 -6.577 -5.156 1.00 2.32 H new ATOM 0 HE3 LYS A 39 -23.651 -5.545 -5.976 1.00 2.32 H new ATOM 0 HZ1 LYS A 39 -24.762 -7.189 -4.611 1.00 44.21 H new ATOM 0 HZ2 LYS A 39 -25.125 -7.455 -6.248 1.00 44.21 H new ATOM 0 HZ3 LYS A 39 -24.007 -8.455 -5.453 1.00 44.21 H new ATOM 599 N GLU A 40 -18.980 -5.538 -9.867 1.00 34.02 N ATOM 600 CA GLU A 40 -18.807 -5.634 -11.311 1.00 61.05 C ATOM 601 C GLU A 40 -17.569 -6.456 -11.657 1.00 45.23 C ATOM 602 O GLU A 40 -17.575 -7.240 -12.607 1.00 72.20 O ATOM 603 CB GLU A 40 -18.695 -4.238 -11.928 1.00 24.11 C ATOM 604 CG GLU A 40 -19.755 -3.268 -11.435 1.00 51.00 C ATOM 605 CD GLU A 40 -21.149 -3.643 -11.898 1.00 74.21 C ATOM 606 OE1 GLU A 40 -21.726 -4.597 -11.335 1.00 3.01 O ATOM 607 OE2 GLU A 40 -21.664 -2.982 -12.824 1.00 52.03 O ATOM 0 H GLU A 40 -18.682 -4.649 -9.464 1.00 34.02 H new ATOM 0 HA GLU A 40 -19.682 -6.136 -11.723 1.00 61.05 H new ATOM 0 HB2 GLU A 40 -17.709 -3.830 -11.705 1.00 24.11 H new ATOM 0 HB3 GLU A 40 -18.768 -4.322 -13.012 1.00 24.11 H new ATOM 0 HG2 GLU A 40 -19.734 -3.236 -10.346 1.00 51.00 H new ATOM 0 HG3 GLU A 40 -19.517 -2.265 -11.788 1.00 51.00 H new ATOM 614 N LEU A 41 -16.507 -6.270 -10.881 1.00 22.02 N ATOM 615 CA LEU A 41 -15.260 -6.993 -11.104 1.00 23.30 C ATOM 616 C LEU A 41 -15.508 -8.496 -11.178 1.00 62.53 C ATOM 617 O LEU A 41 -14.812 -9.216 -11.894 1.00 32.14 O ATOM 618 CB LEU A 41 -14.261 -6.684 -9.987 1.00 71.22 C ATOM 619 CG LEU A 41 -12.905 -7.383 -10.087 1.00 61.31 C ATOM 620 CD1 LEU A 41 -12.400 -7.366 -11.521 1.00 42.05 C ATOM 621 CD2 LEU A 41 -11.896 -6.726 -9.157 1.00 12.15 C ATOM 0 H LEU A 41 -16.485 -5.624 -10.092 1.00 22.02 H new ATOM 0 HA LEU A 41 -14.844 -6.664 -12.056 1.00 23.30 H new ATOM 0 HB2 LEU A 41 -14.092 -5.607 -9.966 1.00 71.22 H new ATOM 0 HB3 LEU A 41 -14.717 -6.954 -9.034 1.00 71.22 H new ATOM 0 HG LEU A 41 -13.030 -8.421 -9.780 1.00 61.31 H new ATOM 0 HD11 LEU A 41 -11.434 -7.868 -11.572 1.00 42.05 H new ATOM 0 HD12 LEU A 41 -13.112 -7.883 -12.164 1.00 42.05 H new ATOM 0 HD13 LEU A 41 -12.291 -6.335 -11.856 1.00 42.05 H new ATOM 0 HD21 LEU A 41 -10.937 -7.237 -9.242 1.00 12.15 H new ATOM 0 HD22 LEU A 41 -11.775 -5.679 -9.433 1.00 12.15 H new ATOM 0 HD23 LEU A 41 -12.252 -6.791 -8.129 1.00 12.15 H new ATOM 633 N GLY A 42 -16.506 -8.964 -10.435 1.00 54.11 N ATOM 634 CA GLY A 42 -16.830 -10.379 -10.433 1.00 13.51 C ATOM 635 C GLY A 42 -17.385 -10.848 -11.763 1.00 64.52 C ATOM 636 O GLY A 42 -17.221 -12.010 -12.137 1.00 74.12 O ATOM 0 H GLY A 42 -17.096 -8.389 -9.834 1.00 54.11 H new ATOM 0 HA2 GLY A 42 -15.935 -10.953 -10.193 1.00 13.51 H new ATOM 0 HA3 GLY A 42 -17.558 -10.581 -9.647 1.00 13.51 H new ATOM 640 N LYS A 43 -18.044 -9.945 -12.480 1.00 41.31 N ATOM 641 CA LYS A 43 -18.626 -10.272 -13.776 1.00 45.25 C ATOM 642 C LYS A 43 -17.537 -10.475 -14.825 1.00 61.25 C ATOM 643 O LYS A 43 -17.482 -11.514 -15.484 1.00 43.20 O ATOM 644 CB LYS A 43 -19.580 -9.163 -14.225 1.00 2.41 C ATOM 645 CG LYS A 43 -21.047 -9.536 -14.103 1.00 21.23 C ATOM 646 CD LYS A 43 -21.907 -8.745 -15.075 1.00 25.44 C ATOM 647 CE LYS A 43 -22.646 -9.662 -16.038 1.00 2.33 C ATOM 648 NZ LYS A 43 -23.538 -10.615 -15.322 1.00 22.23 N ATOM 0 H LYS A 43 -18.189 -8.979 -12.185 1.00 41.31 H new ATOM 0 HA LYS A 43 -19.184 -11.202 -13.671 1.00 45.25 H new ATOM 0 HB2 LYS A 43 -19.390 -8.269 -13.630 1.00 2.41 H new ATOM 0 HB3 LYS A 43 -19.364 -8.907 -15.262 1.00 2.41 H new ATOM 0 HG2 LYS A 43 -21.169 -10.602 -14.293 1.00 21.23 H new ATOM 0 HG3 LYS A 43 -21.386 -9.353 -13.083 1.00 21.23 H new ATOM 0 HD2 LYS A 43 -22.626 -8.143 -14.520 1.00 25.44 H new ATOM 0 HD3 LYS A 43 -21.280 -8.054 -15.638 1.00 25.44 H new ATOM 0 HE2 LYS A 43 -23.237 -9.062 -16.730 1.00 2.33 H new ATOM 0 HE3 LYS A 43 -21.924 -10.219 -16.635 1.00 2.33 H new ATOM 0 HZ1 LYS A 43 -24.308 -10.912 -15.955 1.00 22.23 H new ATOM 0 HZ2 LYS A 43 -22.990 -11.449 -15.027 1.00 22.23 H new ATOM 0 HZ3 LYS A 43 -23.940 -10.151 -14.483 1.00 22.23 H new ATOM 662 N VAL A 44 -16.671 -9.477 -14.975 1.00 35.31 N ATOM 663 CA VAL A 44 -15.583 -9.548 -15.942 1.00 24.11 C ATOM 664 C VAL A 44 -14.789 -10.840 -15.782 1.00 42.21 C ATOM 665 O VAL A 44 -14.236 -11.364 -16.749 1.00 34.23 O ATOM 666 CB VAL A 44 -14.626 -8.350 -15.799 1.00 0.53 C ATOM 667 CG1 VAL A 44 -13.518 -8.423 -16.838 1.00 62.41 C ATOM 668 CG2 VAL A 44 -15.392 -7.040 -15.916 1.00 23.31 C ATOM 0 H VAL A 44 -16.702 -8.610 -14.439 1.00 35.31 H new ATOM 0 HA VAL A 44 -16.038 -9.524 -16.932 1.00 24.11 H new ATOM 0 HB VAL A 44 -14.167 -8.390 -14.811 1.00 0.53 H new ATOM 0 HG11 VAL A 44 -12.852 -7.568 -16.721 1.00 62.41 H new ATOM 0 HG12 VAL A 44 -12.952 -9.345 -16.702 1.00 62.41 H new ATOM 0 HG13 VAL A 44 -13.954 -8.409 -17.837 1.00 62.41 H new ATOM 0 HG21 VAL A 44 -14.701 -6.204 -15.813 1.00 23.31 H new ATOM 0 HG22 VAL A 44 -15.880 -6.989 -16.889 1.00 23.31 H new ATOM 0 HG23 VAL A 44 -16.145 -6.987 -15.130 1.00 23.31 H new ATOM 678 N MET A 45 -14.737 -11.348 -14.555 1.00 62.02 N ATOM 679 CA MET A 45 -14.011 -12.580 -14.269 1.00 75.30 C ATOM 680 C MET A 45 -14.449 -13.699 -15.209 1.00 24.30 C ATOM 681 O MET A 45 -13.669 -14.599 -15.523 1.00 0.20 O ATOM 682 CB MET A 45 -14.235 -13.003 -12.816 1.00 3.13 C ATOM 683 CG MET A 45 -13.669 -12.020 -11.803 1.00 52.04 C ATOM 684 SD MET A 45 -12.095 -12.564 -11.112 1.00 12.42 S ATOM 685 CE MET A 45 -11.200 -12.992 -12.603 1.00 11.21 C ATOM 0 H MET A 45 -15.189 -10.926 -13.744 1.00 62.02 H new ATOM 0 HA MET A 45 -12.949 -12.392 -14.426 1.00 75.30 H new ATOM 0 HB2 MET A 45 -15.305 -13.118 -12.640 1.00 3.13 H new ATOM 0 HB3 MET A 45 -13.779 -13.980 -12.656 1.00 3.13 H new ATOM 0 HG2 MET A 45 -13.536 -11.049 -12.280 1.00 52.04 H new ATOM 0 HG3 MET A 45 -14.388 -11.882 -10.995 1.00 52.04 H new ATOM 0 HE1 MET A 45 -10.158 -13.194 -12.356 1.00 11.21 H new ATOM 0 HE2 MET A 45 -11.645 -13.880 -13.052 1.00 11.21 H new ATOM 0 HE3 MET A 45 -11.252 -12.163 -13.309 1.00 11.21 H new ATOM 695 N ARG A 46 -15.699 -13.637 -15.654 1.00 73.32 N ATOM 696 CA ARG A 46 -16.240 -14.647 -16.557 1.00 2.41 C ATOM 697 C ARG A 46 -15.479 -14.656 -17.880 1.00 34.02 C ATOM 698 O ARG A 46 -15.307 -15.705 -18.500 1.00 51.32 O ATOM 699 CB ARG A 46 -17.726 -14.389 -16.812 1.00 70.35 C ATOM 700 CG ARG A 46 -17.990 -13.227 -17.756 1.00 64.31 C ATOM 701 CD ARG A 46 -19.320 -12.555 -17.454 1.00 3.00 C ATOM 702 NE ARG A 46 -19.333 -11.156 -17.871 1.00 41.53 N ATOM 703 CZ ARG A 46 -19.391 -10.768 -19.140 1.00 43.54 C ATOM 704 NH1 ARG A 46 -19.441 -11.669 -20.111 1.00 60.31 N ATOM 705 NH2 ARG A 46 -19.399 -9.475 -19.441 1.00 20.14 N ATOM 0 H ARG A 46 -16.357 -12.898 -15.404 1.00 73.32 H new ATOM 0 HA ARG A 46 -16.124 -15.622 -16.084 1.00 2.41 H new ATOM 0 HB2 ARG A 46 -18.177 -15.291 -17.225 1.00 70.35 H new ATOM 0 HB3 ARG A 46 -18.220 -14.193 -15.861 1.00 70.35 H new ATOM 0 HG2 ARG A 46 -17.185 -12.497 -17.671 1.00 64.31 H new ATOM 0 HG3 ARG A 46 -17.988 -13.585 -18.785 1.00 64.31 H new ATOM 0 HD2 ARG A 46 -20.121 -13.092 -17.962 1.00 3.00 H new ATOM 0 HD3 ARG A 46 -19.523 -12.617 -16.385 1.00 3.00 H new ATOM 0 HE ARG A 46 -19.295 -10.437 -17.148 1.00 41.53 H new ATOM 0 HH11 ARG A 46 -19.435 -12.664 -19.885 1.00 60.31 H new ATOM 0 HH12 ARG A 46 -19.485 -11.368 -21.084 1.00 60.31 H new ATOM 0 HH21 ARG A 46 -19.361 -8.778 -18.697 1.00 20.14 H new ATOM 0 HH22 ARG A 46 -19.444 -9.179 -20.416 1.00 20.14 H new ATOM 719 N MET A 47 -15.028 -13.481 -18.305 1.00 43.21 N ATOM 720 CA MET A 47 -14.285 -13.354 -19.554 1.00 33.40 C ATOM 721 C MET A 47 -12.934 -14.056 -19.457 1.00 34.12 C ATOM 722 O MET A 47 -12.462 -14.652 -20.426 1.00 20.12 O ATOM 723 CB MET A 47 -14.083 -11.879 -19.905 1.00 22.13 C ATOM 724 CG MET A 47 -15.379 -11.139 -20.190 1.00 13.42 C ATOM 725 SD MET A 47 -15.176 -9.826 -21.410 1.00 20.45 S ATOM 726 CE MET A 47 -15.874 -10.605 -22.864 1.00 1.21 C ATOM 0 H MET A 47 -15.164 -12.603 -17.804 1.00 43.21 H new ATOM 0 HA MET A 47 -14.866 -13.831 -20.343 1.00 33.40 H new ATOM 0 HB2 MET A 47 -13.566 -11.386 -19.082 1.00 22.13 H new ATOM 0 HB3 MET A 47 -13.434 -11.807 -20.778 1.00 22.13 H new ATOM 0 HG2 MET A 47 -16.127 -11.848 -20.546 1.00 13.42 H new ATOM 0 HG3 MET A 47 -15.760 -10.712 -19.263 1.00 13.42 H new ATOM 0 HE1 MET A 47 -15.821 -9.916 -23.707 1.00 1.21 H new ATOM 0 HE2 MET A 47 -15.311 -11.509 -23.098 1.00 1.21 H new ATOM 0 HE3 MET A 47 -16.915 -10.865 -22.673 1.00 1.21 H new ATOM 736 N LEU A 48 -12.317 -13.981 -18.283 1.00 32.51 N ATOM 737 CA LEU A 48 -11.020 -14.610 -18.059 1.00 43.34 C ATOM 738 C LEU A 48 -11.142 -16.130 -18.067 1.00 33.14 C ATOM 739 O LEU A 48 -10.179 -16.839 -18.353 1.00 70.54 O ATOM 740 CB LEU A 48 -10.426 -14.141 -16.730 1.00 12.21 C ATOM 741 CG LEU A 48 -9.809 -12.742 -16.727 1.00 3.13 C ATOM 742 CD1 LEU A 48 -8.738 -12.629 -17.801 1.00 12.51 C ATOM 743 CD2 LEU A 48 -10.884 -11.684 -16.929 1.00 3.13 C ATOM 0 H LEU A 48 -12.694 -13.491 -17.472 1.00 32.51 H new ATOM 0 HA LEU A 48 -10.356 -14.314 -18.871 1.00 43.34 H new ATOM 0 HB2 LEU A 48 -11.210 -14.172 -15.973 1.00 12.21 H new ATOM 0 HB3 LEU A 48 -9.660 -14.855 -16.425 1.00 12.21 H new ATOM 0 HG LEU A 48 -9.341 -12.574 -15.757 1.00 3.13 H new ATOM 0 HD11 LEU A 48 -8.310 -11.627 -17.784 1.00 12.51 H new ATOM 0 HD12 LEU A 48 -7.954 -13.362 -17.611 1.00 12.51 H new ATOM 0 HD13 LEU A 48 -9.182 -12.818 -18.779 1.00 12.51 H new ATOM 0 HD21 LEU A 48 -10.426 -10.695 -16.924 1.00 3.13 H new ATOM 0 HD22 LEU A 48 -11.382 -11.849 -17.885 1.00 3.13 H new ATOM 0 HD23 LEU A 48 -11.615 -11.750 -16.123 1.00 3.13 H new ATOM 755 N GLY A 49 -12.336 -16.624 -17.751 1.00 23.15 N ATOM 756 CA GLY A 49 -12.563 -18.057 -17.729 1.00 33.24 C ATOM 757 C GLY A 49 -12.705 -18.600 -16.321 1.00 34.24 C ATOM 758 O GLY A 49 -12.590 -19.805 -16.099 1.00 62.24 O ATOM 0 H GLY A 49 -13.149 -16.057 -17.510 1.00 23.15 H new ATOM 0 HA2 GLY A 49 -13.464 -18.288 -18.297 1.00 33.24 H new ATOM 0 HA3 GLY A 49 -11.735 -18.561 -18.228 1.00 33.24 H new ATOM 762 N GLN A 50 -12.955 -17.709 -15.367 1.00 0.13 N ATOM 763 CA GLN A 50 -13.110 -18.106 -13.972 1.00 71.34 C ATOM 764 C GLN A 50 -14.351 -17.466 -13.359 1.00 2.13 C ATOM 765 O GLN A 50 -14.814 -16.423 -13.817 1.00 42.43 O ATOM 766 CB GLN A 50 -11.869 -17.716 -13.168 1.00 12.13 C ATOM 767 CG GLN A 50 -10.610 -18.454 -13.594 1.00 54.45 C ATOM 768 CD GLN A 50 -9.357 -17.887 -12.957 1.00 33.14 C ATOM 769 OE1 GLN A 50 -8.349 -17.668 -13.629 1.00 13.30 O ATOM 770 NE2 GLN A 50 -9.414 -17.647 -11.652 1.00 3.41 N ATOM 0 H GLN A 50 -13.055 -16.708 -15.534 1.00 0.13 H new ATOM 0 HA GLN A 50 -13.229 -19.189 -13.939 1.00 71.34 H new ATOM 0 HB2 GLN A 50 -11.703 -16.643 -13.269 1.00 12.13 H new ATOM 0 HB3 GLN A 50 -12.055 -17.911 -12.112 1.00 12.13 H new ATOM 0 HG2 GLN A 50 -10.703 -19.507 -13.328 1.00 54.45 H new ATOM 0 HG3 GLN A 50 -10.515 -18.406 -14.679 1.00 54.45 H new ATOM 0 HE21 GLN A 50 -10.271 -17.844 -11.134 1.00 3.41 H new ATOM 0 HE22 GLN A 50 -8.601 -17.266 -11.168 1.00 3.41 H new ATOM 779 N ASN A 51 -14.884 -18.099 -12.319 1.00 14.32 N ATOM 780 CA ASN A 51 -16.073 -17.591 -11.643 1.00 3.14 C ATOM 781 C ASN A 51 -15.942 -17.738 -10.130 1.00 33.13 C ATOM 782 O ASN A 51 -16.648 -18.522 -9.494 1.00 43.22 O ATOM 783 CB ASN A 51 -17.319 -18.331 -12.133 1.00 11.43 C ATOM 784 CG ASN A 51 -18.578 -17.879 -11.418 1.00 21.14 C ATOM 785 OD1 ASN A 51 -18.894 -16.690 -11.386 1.00 14.22 O ATOM 786 ND2 ASN A 51 -19.303 -18.830 -10.839 1.00 4.50 N ATOM 0 H ASN A 51 -14.512 -18.964 -11.926 1.00 14.32 H new ATOM 0 HA ASN A 51 -16.171 -16.532 -11.880 1.00 3.14 H new ATOM 0 HB2 ASN A 51 -17.436 -18.171 -13.205 1.00 11.43 H new ATOM 0 HB3 ASN A 51 -17.184 -19.402 -11.984 1.00 11.43 H new ATOM 0 HD21 ASN A 51 -20.160 -18.587 -10.342 1.00 4.50 H new ATOM 0 HD22 ASN A 51 -19.002 -19.803 -10.891 1.00 4.50 H new ATOM 793 N PRO A 52 -15.019 -16.966 -9.538 1.00 22.34 N ATOM 794 CA PRO A 52 -14.775 -16.992 -8.092 1.00 44.53 C ATOM 795 C PRO A 52 -15.929 -16.389 -7.299 1.00 1.22 C ATOM 796 O PRO A 52 -16.715 -15.601 -7.827 1.00 31.34 O ATOM 797 CB PRO A 52 -13.513 -16.140 -7.931 1.00 23.31 C ATOM 798 CG PRO A 52 -13.517 -15.230 -9.110 1.00 3.42 C ATOM 799 CD PRO A 52 -14.142 -16.009 -10.233 1.00 72.22 C ATOM 0 HA PRO A 52 -14.671 -18.009 -7.714 1.00 44.53 H new ATOM 0 HB2 PRO A 52 -13.531 -15.578 -6.997 1.00 23.31 H new ATOM 0 HB3 PRO A 52 -12.617 -16.760 -7.912 1.00 23.31 H new ATOM 0 HG2 PRO A 52 -14.085 -14.323 -8.901 1.00 3.42 H new ATOM 0 HG3 PRO A 52 -12.504 -14.920 -9.367 1.00 3.42 H new ATOM 0 HD2 PRO A 52 -14.706 -15.362 -10.905 1.00 72.22 H new ATOM 0 HD3 PRO A 52 -13.390 -16.518 -10.836 1.00 72.22 H new ATOM 807 N THR A 53 -16.026 -16.763 -6.027 1.00 22.12 N ATOM 808 CA THR A 53 -17.084 -16.260 -5.161 1.00 34.04 C ATOM 809 C THR A 53 -17.084 -14.736 -5.120 1.00 21.22 C ATOM 810 O THR A 53 -16.089 -14.083 -5.434 1.00 63.13 O ATOM 811 CB THR A 53 -16.941 -16.801 -3.725 1.00 45.25 C ATOM 812 OG1 THR A 53 -15.572 -17.126 -3.459 1.00 44.43 O ATOM 813 CG2 THR A 53 -17.808 -18.034 -3.522 1.00 53.42 C ATOM 0 H THR A 53 -15.384 -17.413 -5.574 1.00 22.12 H new ATOM 0 HA THR A 53 -18.027 -16.609 -5.581 1.00 34.04 H new ATOM 0 HB THR A 53 -17.272 -16.026 -3.034 1.00 45.25 H new ATOM 0 HG1 THR A 53 -15.489 -17.467 -2.544 1.00 44.43 H new ATOM 0 HG21 THR A 53 -17.690 -18.398 -2.501 1.00 53.42 H new ATOM 0 HG22 THR A 53 -18.853 -17.777 -3.697 1.00 53.42 H new ATOM 0 HG23 THR A 53 -17.503 -18.812 -4.222 1.00 53.42 H new ATOM 821 N PRO A 54 -18.225 -14.154 -4.723 1.00 0.33 N ATOM 822 CA PRO A 54 -18.381 -12.699 -4.630 1.00 63.02 C ATOM 823 C PRO A 54 -17.564 -12.100 -3.491 1.00 5.13 C ATOM 824 O PRO A 54 -16.857 -11.110 -3.676 1.00 41.21 O ATOM 825 CB PRO A 54 -19.878 -12.519 -4.367 1.00 42.40 C ATOM 826 CG PRO A 54 -20.306 -13.793 -3.725 1.00 41.01 C ATOM 827 CD PRO A 54 -19.451 -14.870 -4.333 1.00 21.42 C ATOM 0 HA PRO A 54 -18.028 -12.193 -5.529 1.00 63.02 H new ATOM 0 HB2 PRO A 54 -20.066 -11.665 -3.716 1.00 42.40 H new ATOM 0 HB3 PRO A 54 -20.424 -12.340 -5.293 1.00 42.40 H new ATOM 0 HG2 PRO A 54 -20.170 -13.750 -2.644 1.00 41.01 H new ATOM 0 HG3 PRO A 54 -21.364 -13.985 -3.906 1.00 41.01 H new ATOM 0 HD2 PRO A 54 -19.241 -15.667 -3.620 1.00 21.42 H new ATOM 0 HD3 PRO A 54 -19.937 -15.332 -5.192 1.00 21.42 H new ATOM 835 N GLU A 55 -17.665 -12.707 -2.312 1.00 72.25 N ATOM 836 CA GLU A 55 -16.935 -12.232 -1.143 1.00 63.14 C ATOM 837 C GLU A 55 -15.428 -12.329 -1.367 1.00 32.25 C ATOM 838 O GLU A 55 -14.660 -11.523 -0.843 1.00 51.01 O ATOM 839 CB GLU A 55 -17.331 -13.038 0.095 1.00 22.15 C ATOM 840 CG GLU A 55 -18.749 -12.769 0.569 1.00 53.31 C ATOM 841 CD GLU A 55 -19.004 -13.284 1.972 1.00 23.11 C ATOM 842 OE1 GLU A 55 -18.462 -14.354 2.319 1.00 73.40 O ATOM 843 OE2 GLU A 55 -19.745 -12.616 2.723 1.00 23.05 O ATOM 0 H GLU A 55 -18.245 -13.528 -2.142 1.00 72.25 H new ATOM 0 HA GLU A 55 -17.195 -11.185 -0.984 1.00 63.14 H new ATOM 0 HB2 GLU A 55 -17.226 -14.100 -0.125 1.00 22.15 H new ATOM 0 HB3 GLU A 55 -16.637 -12.810 0.904 1.00 22.15 H new ATOM 0 HG2 GLU A 55 -18.940 -11.696 0.540 1.00 53.31 H new ATOM 0 HG3 GLU A 55 -19.453 -13.237 -0.119 1.00 53.31 H new ATOM 850 N GLU A 56 -15.014 -13.323 -2.147 1.00 13.31 N ATOM 851 CA GLU A 56 -13.600 -13.526 -2.438 1.00 71.10 C ATOM 852 C GLU A 56 -13.044 -12.372 -3.266 1.00 45.33 C ATOM 853 O GLU A 56 -11.855 -12.056 -3.193 1.00 12.25 O ATOM 854 CB GLU A 56 -13.395 -14.847 -3.182 1.00 24.42 C ATOM 855 CG GLU A 56 -11.956 -15.337 -3.167 1.00 51.34 C ATOM 856 CD GLU A 56 -11.709 -16.391 -2.106 1.00 11.22 C ATOM 857 OE1 GLU A 56 -12.617 -17.214 -1.866 1.00 20.33 O ATOM 858 OE2 GLU A 56 -10.609 -16.392 -1.515 1.00 70.51 O ATOM 0 H GLU A 56 -15.637 -13.999 -2.588 1.00 13.31 H new ATOM 0 HA GLU A 56 -13.062 -13.563 -1.491 1.00 71.10 H new ATOM 0 HB2 GLU A 56 -14.034 -15.609 -2.735 1.00 24.42 H new ATOM 0 HB3 GLU A 56 -13.718 -14.726 -4.216 1.00 24.42 H new ATOM 0 HG2 GLU A 56 -11.706 -15.747 -4.146 1.00 51.34 H new ATOM 0 HG3 GLU A 56 -11.290 -14.491 -2.995 1.00 51.34 H new ATOM 865 N LEU A 57 -13.910 -11.746 -4.055 1.00 11.31 N ATOM 866 CA LEU A 57 -13.507 -10.626 -4.899 1.00 24.15 C ATOM 867 C LEU A 57 -13.010 -9.458 -4.052 1.00 71.14 C ATOM 868 O LEU A 57 -11.891 -8.979 -4.235 1.00 55.24 O ATOM 869 CB LEU A 57 -14.676 -10.175 -5.775 1.00 52.20 C ATOM 870 CG LEU A 57 -15.166 -11.185 -6.813 1.00 44.03 C ATOM 871 CD1 LEU A 57 -16.570 -10.834 -7.279 1.00 33.02 C ATOM 872 CD2 LEU A 57 -14.209 -11.241 -7.995 1.00 63.12 C ATOM 0 H LEU A 57 -14.896 -11.995 -4.128 1.00 11.31 H new ATOM 0 HA LEU A 57 -12.690 -10.960 -5.539 1.00 24.15 H new ATOM 0 HB2 LEU A 57 -15.512 -9.917 -5.125 1.00 52.20 H new ATOM 0 HB3 LEU A 57 -14.383 -9.263 -6.295 1.00 52.20 H new ATOM 0 HG LEU A 57 -15.196 -12.170 -6.347 1.00 44.03 H new ATOM 0 HD11 LEU A 57 -16.901 -11.564 -8.017 1.00 33.02 H new ATOM 0 HD12 LEU A 57 -17.250 -10.845 -6.427 1.00 33.02 H new ATOM 0 HD13 LEU A 57 -16.567 -9.840 -7.727 1.00 33.02 H new ATOM 0 HD21 LEU A 57 -14.573 -11.965 -8.724 1.00 63.12 H new ATOM 0 HD22 LEU A 57 -14.147 -10.257 -8.460 1.00 63.12 H new ATOM 0 HD23 LEU A 57 -13.220 -11.541 -7.649 1.00 63.12 H new ATOM 884 N GLN A 58 -13.849 -9.007 -3.125 1.00 61.03 N ATOM 885 CA GLN A 58 -13.494 -7.896 -2.250 1.00 61.12 C ATOM 886 C GLN A 58 -12.290 -8.249 -1.384 1.00 24.14 C ATOM 887 O GLN A 58 -11.561 -7.368 -0.930 1.00 2.24 O ATOM 888 CB GLN A 58 -14.682 -7.518 -1.364 1.00 2.22 C ATOM 889 CG GLN A 58 -14.318 -6.572 -0.231 1.00 15.51 C ATOM 890 CD GLN A 58 -13.806 -5.235 -0.729 1.00 2.41 C ATOM 891 OE1 GLN A 58 -14.501 -4.520 -1.452 1.00 20.41 O ATOM 892 NE2 GLN A 58 -12.583 -4.888 -0.344 1.00 31.44 N ATOM 0 H GLN A 58 -14.779 -9.394 -2.961 1.00 61.03 H new ATOM 0 HA GLN A 58 -13.231 -7.043 -2.875 1.00 61.12 H new ATOM 0 HB2 GLN A 58 -15.452 -7.054 -1.981 1.00 2.22 H new ATOM 0 HB3 GLN A 58 -15.115 -8.426 -0.944 1.00 2.22 H new ATOM 0 HG2 GLN A 58 -15.194 -6.410 0.398 1.00 15.51 H new ATOM 0 HG3 GLN A 58 -13.557 -7.037 0.396 1.00 15.51 H new ATOM 0 HE21 GLN A 58 -12.041 -5.510 0.256 1.00 31.44 H new ATOM 0 HE22 GLN A 58 -12.186 -3.999 -0.648 1.00 31.44 H new ATOM 901 N GLU A 59 -12.088 -9.544 -1.158 1.00 42.44 N ATOM 902 CA GLU A 59 -10.972 -10.012 -0.345 1.00 10.12 C ATOM 903 C GLU A 59 -9.639 -9.571 -0.943 1.00 54.42 C ATOM 904 O GLU A 59 -8.819 -8.950 -0.268 1.00 22.54 O ATOM 905 CB GLU A 59 -11.008 -11.537 -0.220 1.00 4.52 C ATOM 906 CG GLU A 59 -11.342 -12.025 1.180 1.00 50.14 C ATOM 907 CD GLU A 59 -10.160 -11.937 2.126 1.00 74.51 C ATOM 908 OE1 GLU A 59 -9.228 -12.756 1.989 1.00 63.23 O ATOM 909 OE2 GLU A 59 -10.169 -11.049 3.004 1.00 61.30 O ATOM 0 H GLU A 59 -12.682 -10.287 -1.526 1.00 42.44 H new ATOM 0 HA GLU A 59 -11.069 -9.570 0.647 1.00 10.12 H new ATOM 0 HB2 GLU A 59 -11.744 -11.933 -0.919 1.00 4.52 H new ATOM 0 HB3 GLU A 59 -10.039 -11.940 -0.515 1.00 4.52 H new ATOM 0 HG2 GLU A 59 -12.167 -11.435 1.579 1.00 50.14 H new ATOM 0 HG3 GLU A 59 -11.685 -13.058 1.128 1.00 50.14 H new ATOM 916 N MET A 60 -9.432 -9.896 -2.215 1.00 0.10 N ATOM 917 CA MET A 60 -8.200 -9.533 -2.905 1.00 43.20 C ATOM 918 C MET A 60 -8.118 -8.024 -3.114 1.00 1.01 C ATOM 919 O MET A 60 -7.033 -7.442 -3.082 1.00 53.23 O ATOM 920 CB MET A 60 -8.114 -10.251 -4.253 1.00 20.31 C ATOM 921 CG MET A 60 -8.345 -11.751 -4.158 1.00 4.20 C ATOM 922 SD MET A 60 -8.303 -12.563 -5.767 1.00 73.22 S ATOM 923 CE MET A 60 -7.373 -14.043 -5.376 1.00 2.33 C ATOM 0 H MET A 60 -10.101 -10.410 -2.788 1.00 0.10 H new ATOM 0 HA MET A 60 -7.360 -9.842 -2.283 1.00 43.20 H new ATOM 0 HB2 MET A 60 -8.850 -9.821 -4.932 1.00 20.31 H new ATOM 0 HB3 MET A 60 -7.132 -10.070 -4.690 1.00 20.31 H new ATOM 0 HG2 MET A 60 -7.585 -12.192 -3.513 1.00 4.20 H new ATOM 0 HG3 MET A 60 -9.310 -11.937 -3.686 1.00 4.20 H new ATOM 0 HE1 MET A 60 -7.263 -14.651 -6.274 1.00 2.33 H new ATOM 0 HE2 MET A 60 -6.387 -13.765 -5.002 1.00 2.33 H new ATOM 0 HE3 MET A 60 -7.902 -14.614 -4.613 1.00 2.33 H new ATOM 933 N ILE A 61 -9.270 -7.397 -3.327 1.00 70.43 N ATOM 934 CA ILE A 61 -9.327 -5.957 -3.540 1.00 54.43 C ATOM 935 C ILE A 61 -8.965 -5.198 -2.268 1.00 52.11 C ATOM 936 O ILE A 61 -8.548 -4.041 -2.321 1.00 0.23 O ATOM 937 CB ILE A 61 -10.725 -5.512 -4.009 1.00 75.12 C ATOM 938 CG1 ILE A 61 -11.034 -6.096 -5.389 1.00 70.13 C ATOM 939 CG2 ILE A 61 -10.817 -3.994 -4.038 1.00 45.21 C ATOM 940 CD1 ILE A 61 -12.393 -5.701 -5.923 1.00 12.43 C ATOM 0 H ILE A 61 -10.176 -7.864 -3.357 1.00 70.43 H new ATOM 0 HA ILE A 61 -8.600 -5.725 -4.318 1.00 54.43 H new ATOM 0 HB ILE A 61 -11.465 -5.887 -3.302 1.00 75.12 H new ATOM 0 HG12 ILE A 61 -10.268 -5.770 -6.092 1.00 70.13 H new ATOM 0 HG13 ILE A 61 -10.976 -7.183 -5.336 1.00 70.13 H new ATOM 0 HG21 ILE A 61 -11.811 -3.696 -4.372 1.00 45.21 H new ATOM 0 HG22 ILE A 61 -10.636 -3.599 -3.038 1.00 45.21 H new ATOM 0 HG23 ILE A 61 -10.070 -3.597 -4.725 1.00 45.21 H new ATOM 0 HD11 ILE A 61 -12.543 -6.151 -6.904 1.00 12.43 H new ATOM 0 HD12 ILE A 61 -13.168 -6.051 -5.241 1.00 12.43 H new ATOM 0 HD13 ILE A 61 -12.449 -4.616 -6.009 1.00 12.43 H new ATOM 952 N ASP A 62 -9.126 -5.858 -1.126 1.00 43.25 N ATOM 953 CA ASP A 62 -8.813 -5.247 0.160 1.00 23.13 C ATOM 954 C ASP A 62 -7.315 -4.990 0.290 1.00 43.44 C ATOM 955 O ASP A 62 -6.893 -3.886 0.633 1.00 41.11 O ATOM 956 CB ASP A 62 -9.289 -6.144 1.304 1.00 53.21 C ATOM 957 CG ASP A 62 -9.116 -5.492 2.662 1.00 65.04 C ATOM 958 OD1 ASP A 62 -9.973 -4.666 3.037 1.00 74.01 O ATOM 959 OD2 ASP A 62 -8.121 -5.807 3.349 1.00 72.34 O ATOM 0 H ASP A 62 -9.471 -6.816 -1.065 1.00 43.25 H new ATOM 0 HA ASP A 62 -9.334 -4.291 0.216 1.00 23.13 H new ATOM 0 HB2 ASP A 62 -10.340 -6.392 1.154 1.00 53.21 H new ATOM 0 HB3 ASP A 62 -8.734 -7.082 1.281 1.00 53.21 H new ATOM 964 N GLU A 63 -6.517 -6.016 0.013 1.00 22.42 N ATOM 965 CA GLU A 63 -5.066 -5.901 0.101 1.00 41.31 C ATOM 966 C GLU A 63 -4.520 -5.032 -1.028 1.00 51.35 C ATOM 967 O GLU A 63 -3.437 -4.457 -0.917 1.00 13.32 O ATOM 968 CB GLU A 63 -4.418 -7.286 0.052 1.00 4.22 C ATOM 969 CG GLU A 63 -3.693 -7.664 1.333 1.00 33.32 C ATOM 970 CD GLU A 63 -3.712 -9.158 1.594 1.00 3.23 C ATOM 971 OE1 GLU A 63 -3.560 -9.932 0.626 1.00 0.14 O ATOM 972 OE2 GLU A 63 -3.878 -9.552 2.768 1.00 63.33 O ATOM 0 H GLU A 63 -6.851 -6.936 -0.274 1.00 22.42 H new ATOM 0 HA GLU A 63 -4.822 -5.427 1.052 1.00 41.31 H new ATOM 0 HB2 GLU A 63 -5.187 -8.031 -0.154 1.00 4.22 H new ATOM 0 HB3 GLU A 63 -3.712 -7.319 -0.778 1.00 4.22 H new ATOM 0 HG2 GLU A 63 -2.660 -7.322 1.276 1.00 33.32 H new ATOM 0 HG3 GLU A 63 -4.154 -7.146 2.174 1.00 33.32 H new ATOM 979 N VAL A 64 -5.278 -4.941 -2.117 1.00 21.41 N ATOM 980 CA VAL A 64 -4.872 -4.143 -3.267 1.00 43.22 C ATOM 981 C VAL A 64 -5.187 -2.667 -3.051 1.00 21.05 C ATOM 982 O VAL A 64 -4.348 -1.800 -3.295 1.00 63.12 O ATOM 983 CB VAL A 64 -5.567 -4.621 -4.556 1.00 25.11 C ATOM 984 CG1 VAL A 64 -5.202 -3.720 -5.726 1.00 4.35 C ATOM 985 CG2 VAL A 64 -5.201 -6.068 -4.853 1.00 1.44 C ATOM 0 H VAL A 64 -6.177 -5.411 -2.226 1.00 21.41 H new ATOM 0 HA VAL A 64 -3.795 -4.270 -3.375 1.00 43.22 H new ATOM 0 HB VAL A 64 -6.646 -4.565 -4.408 1.00 25.11 H new ATOM 0 HG11 VAL A 64 -5.702 -4.074 -6.627 1.00 4.35 H new ATOM 0 HG12 VAL A 64 -5.519 -2.699 -5.512 1.00 4.35 H new ATOM 0 HG13 VAL A 64 -4.123 -3.741 -5.878 1.00 4.35 H new ATOM 0 HG21 VAL A 64 -5.701 -6.389 -5.767 1.00 1.44 H new ATOM 0 HG22 VAL A 64 -4.122 -6.151 -4.981 1.00 1.44 H new ATOM 0 HG23 VAL A 64 -5.518 -6.701 -4.024 1.00 1.44 H new ATOM 995 N ASP A 65 -6.401 -2.389 -2.590 1.00 13.32 N ATOM 996 CA ASP A 65 -6.828 -1.017 -2.338 1.00 62.11 C ATOM 997 C ASP A 65 -6.026 -0.400 -1.196 1.00 54.43 C ATOM 998 O ASP A 65 -6.277 -0.684 -0.026 1.00 10.34 O ATOM 999 CB ASP A 65 -8.321 -0.977 -2.010 1.00 11.23 C ATOM 1000 CG ASP A 65 -8.943 0.374 -2.305 1.00 63.04 C ATOM 1001 OD1 ASP A 65 -8.193 1.371 -2.369 1.00 13.34 O ATOM 1002 OD2 ASP A 65 -10.178 0.434 -2.474 1.00 73.34 O ATOM 0 H ASP A 65 -7.107 -3.095 -2.383 1.00 13.32 H new ATOM 0 HA ASP A 65 -6.647 -0.434 -3.241 1.00 62.11 H new ATOM 0 HB2 ASP A 65 -8.837 -1.745 -2.586 1.00 11.23 H new ATOM 0 HB3 ASP A 65 -8.465 -1.218 -0.957 1.00 11.23 H new ATOM 1007 N GLU A 66 -5.061 0.445 -1.546 1.00 54.04 N ATOM 1008 CA GLU A 66 -4.222 1.101 -0.550 1.00 73.51 C ATOM 1009 C GLU A 66 -5.053 2.018 0.343 1.00 73.53 C ATOM 1010 O GLU A 66 -4.803 2.127 1.543 1.00 23.42 O ATOM 1011 CB GLU A 66 -3.114 1.904 -1.233 1.00 64.44 C ATOM 1012 CG GLU A 66 -3.632 3.004 -2.144 1.00 1.11 C ATOM 1013 CD GLU A 66 -3.784 4.331 -1.427 1.00 1.43 C ATOM 1014 OE1 GLU A 66 -3.592 4.364 -0.193 1.00 63.20 O ATOM 1015 OE2 GLU A 66 -4.095 5.337 -2.098 1.00 51.11 O ATOM 0 H GLU A 66 -4.841 0.691 -2.511 1.00 54.04 H new ATOM 0 HA GLU A 66 -3.770 0.328 0.072 1.00 73.51 H new ATOM 0 HB2 GLU A 66 -2.475 2.347 -0.469 1.00 64.44 H new ATOM 0 HB3 GLU A 66 -2.491 1.225 -1.815 1.00 64.44 H new ATOM 0 HG2 GLU A 66 -2.949 3.126 -2.985 1.00 1.11 H new ATOM 0 HG3 GLU A 66 -4.596 2.705 -2.556 1.00 1.11 H new ATOM 1022 N ASP A 67 -6.042 2.675 -0.252 1.00 74.03 N ATOM 1023 CA ASP A 67 -6.911 3.583 0.488 1.00 73.41 C ATOM 1024 C ASP A 67 -8.207 2.886 0.892 1.00 70.14 C ATOM 1025 O ASP A 67 -9.007 3.432 1.650 1.00 53.12 O ATOM 1026 CB ASP A 67 -7.224 4.822 -0.352 1.00 74.33 C ATOM 1027 CG ASP A 67 -7.594 4.474 -1.781 1.00 0.20 C ATOM 1028 OD1 ASP A 67 -8.687 3.907 -1.990 1.00 63.42 O ATOM 1029 OD2 ASP A 67 -6.791 4.771 -2.690 1.00 21.31 O ATOM 0 H ASP A 67 -6.262 2.596 -1.245 1.00 74.03 H new ATOM 0 HA ASP A 67 -6.387 3.891 1.393 1.00 73.41 H new ATOM 0 HB2 ASP A 67 -8.044 5.372 0.109 1.00 74.33 H new ATOM 0 HB3 ASP A 67 -6.358 5.484 -0.355 1.00 74.33 H new ATOM 1034 N GLY A 68 -8.407 1.676 0.378 1.00 34.23 N ATOM 1035 CA GLY A 68 -9.608 0.925 0.696 1.00 61.22 C ATOM 1036 C GLY A 68 -10.873 1.724 0.452 1.00 61.52 C ATOM 1037 O GLY A 68 -11.774 1.743 1.290 1.00 11.20 O ATOM 0 H GLY A 68 -7.760 1.203 -0.252 1.00 34.23 H new ATOM 0 HA2 GLY A 68 -9.634 0.016 0.095 1.00 61.22 H new ATOM 0 HA3 GLY A 68 -9.573 0.615 1.741 1.00 61.22 H new ATOM 1041 N SER A 69 -10.940 2.386 -0.699 1.00 32.42 N ATOM 1042 CA SER A 69 -12.102 3.195 -1.048 1.00 60.44 C ATOM 1043 C SER A 69 -13.258 2.313 -1.511 1.00 52.33 C ATOM 1044 O SER A 69 -14.365 2.795 -1.746 1.00 54.31 O ATOM 1045 CB SER A 69 -11.740 4.198 -2.145 1.00 41.00 C ATOM 1046 OG SER A 69 -10.979 3.582 -3.169 1.00 71.53 O ATOM 0 H SER A 69 -10.204 2.378 -1.405 1.00 32.42 H new ATOM 0 HA SER A 69 -12.417 3.739 -0.157 1.00 60.44 H new ATOM 0 HB2 SER A 69 -12.650 4.622 -2.569 1.00 41.00 H new ATOM 0 HB3 SER A 69 -11.174 5.024 -1.714 1.00 41.00 H new ATOM 0 HG SER A 69 -10.025 3.664 -2.962 1.00 71.53 H new ATOM 1052 N GLY A 70 -12.991 1.017 -1.640 1.00 54.13 N ATOM 1053 CA GLY A 70 -14.018 0.088 -2.075 1.00 11.05 C ATOM 1054 C GLY A 70 -13.844 -0.335 -3.520 1.00 24.14 C ATOM 1055 O GLY A 70 -14.561 -1.207 -4.011 1.00 21.54 O ATOM 0 H GLY A 70 -12.082 0.594 -1.451 1.00 54.13 H new ATOM 0 HA2 GLY A 70 -13.998 -0.795 -1.436 1.00 11.05 H new ATOM 0 HA3 GLY A 70 -14.997 0.550 -1.950 1.00 11.05 H new ATOM 1059 N THR A 71 -12.888 0.285 -4.205 1.00 52.21 N ATOM 1060 CA THR A 71 -12.623 -0.030 -5.603 1.00 53.42 C ATOM 1061 C THR A 71 -11.135 0.072 -5.917 1.00 71.43 C ATOM 1062 O THR A 71 -10.337 0.467 -5.068 1.00 25.33 O ATOM 1063 CB THR A 71 -13.400 0.907 -6.547 1.00 55.40 C ATOM 1064 OG1 THR A 71 -13.058 2.271 -6.275 1.00 61.10 O ATOM 1065 CG2 THR A 71 -14.901 0.714 -6.386 1.00 42.44 C ATOM 0 H THR A 71 -12.284 1.008 -3.814 1.00 52.21 H new ATOM 0 HA THR A 71 -12.957 -1.055 -5.765 1.00 53.42 H new ATOM 0 HB THR A 71 -13.126 0.662 -7.573 1.00 55.40 H new ATOM 0 HG1 THR A 71 -13.822 2.848 -6.484 1.00 61.10 H new ATOM 0 HG21 THR A 71 -15.429 1.386 -7.063 1.00 42.44 H new ATOM 0 HG22 THR A 71 -15.163 -0.317 -6.622 1.00 42.44 H new ATOM 0 HG23 THR A 71 -15.188 0.935 -5.358 1.00 42.44 H new ATOM 1073 N VAL A 72 -10.768 -0.287 -7.143 1.00 61.24 N ATOM 1074 CA VAL A 72 -9.375 -0.235 -7.570 1.00 42.14 C ATOM 1075 C VAL A 72 -9.121 0.967 -8.473 1.00 14.41 C ATOM 1076 O VAL A 72 -9.923 1.274 -9.356 1.00 30.24 O ATOM 1077 CB VAL A 72 -8.968 -1.519 -8.318 1.00 13.22 C ATOM 1078 CG1 VAL A 72 -9.157 -1.346 -9.817 1.00 64.33 C ATOM 1079 CG2 VAL A 72 -7.530 -1.892 -7.992 1.00 42.52 C ATOM 0 H VAL A 72 -11.416 -0.617 -7.858 1.00 61.24 H new ATOM 0 HA VAL A 72 -8.771 -0.142 -6.667 1.00 42.14 H new ATOM 0 HB VAL A 72 -9.614 -2.332 -7.987 1.00 13.22 H new ATOM 0 HG11 VAL A 72 -8.864 -2.263 -10.329 1.00 64.33 H new ATOM 0 HG12 VAL A 72 -10.204 -1.130 -10.029 1.00 64.33 H new ATOM 0 HG13 VAL A 72 -8.538 -0.521 -10.169 1.00 64.33 H new ATOM 0 HG21 VAL A 72 -7.259 -2.801 -8.529 1.00 42.52 H new ATOM 0 HG22 VAL A 72 -6.867 -1.081 -8.294 1.00 42.52 H new ATOM 0 HG23 VAL A 72 -7.432 -2.061 -6.920 1.00 42.52 H new ATOM 1089 N ASP A 73 -8.001 1.645 -8.246 1.00 34.31 N ATOM 1090 CA ASP A 73 -7.641 2.814 -9.040 1.00 24.42 C ATOM 1091 C ASP A 73 -6.521 2.479 -10.021 1.00 54.52 C ATOM 1092 O ASP A 73 -5.934 1.399 -9.965 1.00 30.14 O ATOM 1093 CB ASP A 73 -7.209 3.963 -8.128 1.00 35.05 C ATOM 1094 CG ASP A 73 -7.436 5.321 -8.761 1.00 53.42 C ATOM 1095 OD1 ASP A 73 -8.611 5.684 -8.985 1.00 24.33 O ATOM 1096 OD2 ASP A 73 -6.440 6.023 -9.033 1.00 24.31 O ATOM 0 H ASP A 73 -7.327 1.405 -7.519 1.00 34.31 H new ATOM 0 HA ASP A 73 -8.519 3.122 -9.608 1.00 24.42 H new ATOM 0 HB2 ASP A 73 -7.761 3.906 -7.190 1.00 35.05 H new ATOM 0 HB3 ASP A 73 -6.153 3.851 -7.883 1.00 35.05 H new ATOM 1101 N PHE A 74 -6.232 3.414 -10.921 1.00 71.51 N ATOM 1102 CA PHE A 74 -5.185 3.218 -11.917 1.00 23.43 C ATOM 1103 C PHE A 74 -3.864 2.843 -11.250 1.00 51.23 C ATOM 1104 O PHE A 74 -3.105 2.024 -11.769 1.00 11.14 O ATOM 1105 CB PHE A 74 -5.005 4.485 -12.755 1.00 22.02 C ATOM 1106 CG PHE A 74 -3.959 4.353 -13.825 1.00 32.41 C ATOM 1107 CD1 PHE A 74 -3.762 3.144 -14.474 1.00 13.22 C ATOM 1108 CD2 PHE A 74 -3.174 5.436 -14.182 1.00 43.44 C ATOM 1109 CE1 PHE A 74 -2.800 3.020 -15.458 1.00 73.42 C ATOM 1110 CE2 PHE A 74 -2.210 5.318 -15.167 1.00 33.15 C ATOM 1111 CZ PHE A 74 -2.024 4.108 -15.806 1.00 12.01 C ATOM 0 H PHE A 74 -6.708 4.314 -10.981 1.00 71.51 H new ATOM 0 HA PHE A 74 -5.488 2.399 -12.570 1.00 23.43 H new ATOM 0 HB2 PHE A 74 -5.957 4.742 -13.219 1.00 22.02 H new ATOM 0 HB3 PHE A 74 -4.737 5.311 -12.097 1.00 22.02 H new ATOM 0 HD1 PHE A 74 -4.367 2.290 -14.208 1.00 13.22 H new ATOM 0 HD2 PHE A 74 -3.316 6.385 -13.685 1.00 43.44 H new ATOM 0 HE1 PHE A 74 -2.655 2.072 -15.955 1.00 73.42 H new ATOM 0 HE2 PHE A 74 -1.604 6.171 -15.436 1.00 33.15 H new ATOM 0 HZ PHE A 74 -1.273 4.013 -16.576 1.00 12.01 H new ATOM 1121 N ASP A 75 -3.597 3.450 -10.099 1.00 22.51 N ATOM 1122 CA ASP A 75 -2.368 3.181 -9.360 1.00 74.43 C ATOM 1123 C ASP A 75 -2.312 1.724 -8.912 1.00 20.42 C ATOM 1124 O ASP A 75 -1.401 0.985 -9.284 1.00 4.23 O ATOM 1125 CB ASP A 75 -2.265 4.105 -8.146 1.00 52.24 C ATOM 1126 CG ASP A 75 -1.631 5.440 -8.487 1.00 72.52 C ATOM 1127 OD1 ASP A 75 -2.369 6.359 -8.901 1.00 64.34 O ATOM 1128 OD2 ASP A 75 -0.398 5.565 -8.339 1.00 22.12 O ATOM 0 H ASP A 75 -4.214 4.131 -9.657 1.00 22.51 H new ATOM 0 HA ASP A 75 -1.525 3.371 -10.024 1.00 74.43 H new ATOM 0 HB2 ASP A 75 -3.261 4.273 -7.735 1.00 52.24 H new ATOM 0 HB3 ASP A 75 -1.678 3.615 -7.369 1.00 52.24 H new ATOM 1133 N GLU A 76 -3.292 1.318 -8.110 1.00 3.11 N ATOM 1134 CA GLU A 76 -3.351 -0.050 -7.610 1.00 34.34 C ATOM 1135 C GLU A 76 -3.501 -1.044 -8.758 1.00 54.53 C ATOM 1136 O GLU A 76 -3.059 -2.188 -8.664 1.00 63.44 O ATOM 1137 CB GLU A 76 -4.515 -0.208 -6.629 1.00 74.01 C ATOM 1138 CG GLU A 76 -4.448 0.743 -5.446 1.00 21.10 C ATOM 1139 CD GLU A 76 -5.803 1.319 -5.082 1.00 64.13 C ATOM 1140 OE1 GLU A 76 -6.825 0.675 -5.399 1.00 23.54 O ATOM 1141 OE2 GLU A 76 -5.841 2.413 -4.482 1.00 51.22 O ATOM 0 H GLU A 76 -4.055 1.917 -7.793 1.00 3.11 H new ATOM 0 HA GLU A 76 -2.416 -0.260 -7.091 1.00 34.34 H new ATOM 0 HB2 GLU A 76 -5.452 -0.046 -7.162 1.00 74.01 H new ATOM 0 HB3 GLU A 76 -4.531 -1.233 -6.260 1.00 74.01 H new ATOM 0 HG2 GLU A 76 -4.038 0.216 -4.584 1.00 21.10 H new ATOM 0 HG3 GLU A 76 -3.762 1.557 -5.678 1.00 21.10 H new ATOM 1148 N TRP A 77 -4.129 -0.597 -9.840 1.00 43.12 N ATOM 1149 CA TRP A 77 -4.338 -1.446 -11.007 1.00 71.33 C ATOM 1150 C TRP A 77 -3.015 -1.762 -11.695 1.00 64.31 C ATOM 1151 O TRP A 77 -2.773 -2.898 -12.106 1.00 41.04 O ATOM 1152 CB TRP A 77 -5.290 -0.767 -11.993 1.00 71.54 C ATOM 1153 CG TRP A 77 -5.847 -1.705 -13.022 1.00 12.50 C ATOM 1154 CD1 TRP A 77 -7.062 -2.328 -12.990 1.00 42.04 C ATOM 1155 CD2 TRP A 77 -5.209 -2.125 -14.233 1.00 34.22 C ATOM 1156 NE1 TRP A 77 -7.218 -3.111 -14.109 1.00 25.02 N ATOM 1157 CE2 TRP A 77 -6.096 -3.003 -14.887 1.00 64.21 C ATOM 1158 CE3 TRP A 77 -3.977 -1.844 -14.829 1.00 32.20 C ATOM 1159 CZ2 TRP A 77 -5.786 -3.601 -16.106 1.00 21.33 C ATOM 1160 CZ3 TRP A 77 -3.671 -2.439 -16.038 1.00 53.13 C ATOM 1161 CH2 TRP A 77 -4.573 -3.309 -16.667 1.00 4.54 C ATOM 0 H TRP A 77 -4.502 0.348 -9.933 1.00 43.12 H new ATOM 0 HA TRP A 77 -4.783 -2.382 -10.669 1.00 71.33 H new ATOM 0 HB2 TRP A 77 -6.113 -0.315 -11.440 1.00 71.54 H new ATOM 0 HB3 TRP A 77 -4.763 0.043 -12.497 1.00 71.54 H new ATOM 0 HD1 TRP A 77 -7.793 -2.221 -12.202 1.00 42.04 H new ATOM 0 HE1 TRP A 77 -8.037 -3.680 -14.325 1.00 25.02 H new ATOM 0 HE3 TRP A 77 -3.276 -1.174 -14.353 1.00 32.20 H new ATOM 0 HZ2 TRP A 77 -6.479 -4.272 -16.592 1.00 21.33 H new ATOM 0 HZ3 TRP A 77 -2.721 -2.230 -16.507 1.00 53.13 H new ATOM 0 HH2 TRP A 77 -4.305 -3.757 -17.612 1.00 4.54 H new ATOM 1172 N LEU A 78 -2.160 -0.752 -11.817 1.00 33.40 N ATOM 1173 CA LEU A 78 -0.860 -0.923 -12.455 1.00 63.33 C ATOM 1174 C LEU A 78 -0.012 -1.942 -11.700 1.00 1.42 C ATOM 1175 O LEU A 78 0.538 -2.870 -12.293 1.00 42.52 O ATOM 1176 CB LEU A 78 -0.125 0.416 -12.527 1.00 3.41 C ATOM 1177 CG LEU A 78 -0.624 1.400 -13.586 1.00 13.25 C ATOM 1178 CD1 LEU A 78 -0.600 2.822 -13.047 1.00 11.15 C ATOM 1179 CD2 LEU A 78 0.214 1.293 -14.851 1.00 2.31 C ATOM 0 H LEU A 78 -2.344 0.194 -11.482 1.00 33.40 H new ATOM 0 HA LEU A 78 -1.026 -1.294 -13.466 1.00 63.33 H new ATOM 0 HB2 LEU A 78 -0.193 0.898 -11.552 1.00 3.41 H new ATOM 0 HB3 LEU A 78 0.931 0.219 -12.712 1.00 3.41 H new ATOM 0 HG LEU A 78 -1.654 1.145 -13.834 1.00 13.25 H new ATOM 0 HD11 LEU A 78 -0.958 3.508 -13.814 1.00 11.15 H new ATOM 0 HD12 LEU A 78 -1.244 2.890 -12.170 1.00 11.15 H new ATOM 0 HD13 LEU A 78 0.420 3.089 -12.769 1.00 11.15 H new ATOM 0 HD21 LEU A 78 -0.156 2.000 -15.593 1.00 2.31 H new ATOM 0 HD22 LEU A 78 1.254 1.521 -14.619 1.00 2.31 H new ATOM 0 HD23 LEU A 78 0.145 0.281 -15.249 1.00 2.31 H new ATOM 1191 N VAL A 79 0.088 -1.763 -10.386 1.00 72.04 N ATOM 1192 CA VAL A 79 0.866 -2.668 -9.549 1.00 14.04 C ATOM 1193 C VAL A 79 0.252 -4.063 -9.530 1.00 32.43 C ATOM 1194 O VAL A 79 0.965 -5.066 -9.506 1.00 42.23 O ATOM 1195 CB VAL A 79 0.969 -2.145 -8.104 1.00 24.25 C ATOM 1196 CG1 VAL A 79 1.765 -0.849 -8.060 1.00 71.51 C ATOM 1197 CG2 VAL A 79 -0.416 -1.950 -7.507 1.00 53.12 C ATOM 0 H VAL A 79 -0.360 -1.000 -9.879 1.00 72.04 H new ATOM 0 HA VAL A 79 1.865 -2.720 -9.982 1.00 14.04 H new ATOM 0 HB VAL A 79 1.496 -2.888 -7.505 1.00 24.25 H new ATOM 0 HG11 VAL A 79 1.827 -0.495 -7.031 1.00 71.51 H new ATOM 0 HG12 VAL A 79 2.770 -1.026 -8.444 1.00 71.51 H new ATOM 0 HG13 VAL A 79 1.269 -0.097 -8.673 1.00 71.51 H new ATOM 0 HG21 VAL A 79 -0.323 -1.580 -6.486 1.00 53.12 H new ATOM 0 HG22 VAL A 79 -0.972 -1.228 -8.105 1.00 53.12 H new ATOM 0 HG23 VAL A 79 -0.947 -2.902 -7.501 1.00 53.12 H new ATOM 1207 N MET A 80 -1.076 -4.120 -9.541 1.00 21.03 N ATOM 1208 CA MET A 80 -1.786 -5.394 -9.527 1.00 13.45 C ATOM 1209 C MET A 80 -1.269 -6.317 -10.625 1.00 4.02 C ATOM 1210 O MET A 80 -1.191 -7.531 -10.442 1.00 20.43 O ATOM 1211 CB MET A 80 -3.289 -5.166 -9.702 1.00 1.22 C ATOM 1212 CG MET A 80 -4.087 -6.453 -9.836 1.00 10.53 C ATOM 1213 SD MET A 80 -5.865 -6.185 -9.694 1.00 25.33 S ATOM 1214 CE MET A 80 -6.047 -4.640 -10.581 1.00 5.13 C ATOM 0 H MET A 80 -1.682 -3.300 -9.560 1.00 21.03 H new ATOM 0 HA MET A 80 -1.607 -5.870 -8.563 1.00 13.45 H new ATOM 0 HB2 MET A 80 -3.665 -4.602 -8.848 1.00 1.22 H new ATOM 0 HB3 MET A 80 -3.454 -4.552 -10.587 1.00 1.22 H new ATOM 0 HG2 MET A 80 -3.869 -6.913 -10.800 1.00 10.53 H new ATOM 0 HG3 MET A 80 -3.767 -7.156 -9.067 1.00 10.53 H new ATOM 0 HE1 MET A 80 -7.085 -4.518 -10.891 1.00 5.13 H new ATOM 0 HE2 MET A 80 -5.762 -3.812 -9.932 1.00 5.13 H new ATOM 0 HE3 MET A 80 -5.404 -4.648 -11.461 1.00 5.13 H new ATOM 1224 N MET A 81 -0.916 -5.733 -11.765 1.00 72.04 N ATOM 1225 CA MET A 81 -0.405 -6.505 -12.892 1.00 52.45 C ATOM 1226 C MET A 81 0.984 -7.056 -12.589 1.00 2.24 C ATOM 1227 O MET A 81 1.260 -8.232 -12.823 1.00 44.20 O ATOM 1228 CB MET A 81 -0.358 -5.638 -14.152 1.00 54.32 C ATOM 1229 CG MET A 81 -0.072 -6.424 -15.421 1.00 25.31 C ATOM 1230 SD MET A 81 -1.551 -7.184 -16.117 1.00 14.41 S ATOM 1231 CE MET A 81 -2.492 -5.731 -16.579 1.00 0.00 C ATOM 0 H MET A 81 -0.974 -4.729 -11.933 1.00 72.04 H new ATOM 0 HA MET A 81 -1.080 -7.344 -13.061 1.00 52.45 H new ATOM 0 HB2 MET A 81 -1.311 -5.120 -14.262 1.00 54.32 H new ATOM 0 HB3 MET A 81 0.408 -4.873 -14.028 1.00 54.32 H new ATOM 0 HG2 MET A 81 0.373 -5.760 -16.162 1.00 25.31 H new ATOM 0 HG3 MET A 81 0.663 -7.200 -15.205 1.00 25.31 H new ATOM 0 HE1 MET A 81 -3.336 -5.613 -15.899 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.853 -4.850 -16.521 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.860 -5.845 -17.599 1.00 0.00 H new ATOM 1241 N ALA A 82 1.855 -6.198 -12.066 1.00 31.40 N ATOM 1242 CA ALA A 82 3.215 -6.601 -11.729 1.00 13.43 C ATOM 1243 C ALA A 82 3.215 -7.753 -10.730 1.00 15.44 C ATOM 1244 O ALA A 82 3.854 -8.781 -10.953 1.00 54.23 O ATOM 1245 CB ALA A 82 3.993 -5.417 -11.172 1.00 75.25 C ATOM 0 H ALA A 82 1.643 -5.220 -11.867 1.00 31.40 H new ATOM 0 HA ALA A 82 3.702 -6.946 -12.641 1.00 13.43 H new ATOM 0 HB1 ALA A 82 5.007 -5.732 -10.924 1.00 75.25 H new ATOM 0 HB2 ALA A 82 4.031 -4.623 -11.918 1.00 75.25 H new ATOM 0 HB3 ALA A 82 3.499 -5.047 -10.274 1.00 75.25 H new ATOM 1251 N ARG A 83 2.494 -7.573 -9.627 1.00 25.40 N ATOM 1252 CA ARG A 83 2.413 -8.598 -8.593 1.00 3.33 C ATOM 1253 C ARG A 83 1.771 -9.870 -9.137 1.00 30.30 C ATOM 1254 O ARG A 83 1.989 -10.962 -8.610 1.00 42.11 O ATOM 1255 CB ARG A 83 1.613 -8.081 -7.396 1.00 31.55 C ATOM 1256 CG ARG A 83 0.231 -7.567 -7.763 1.00 73.21 C ATOM 1257 CD ARG A 83 -0.807 -8.678 -7.717 1.00 13.51 C ATOM 1258 NE ARG A 83 -2.141 -8.167 -7.413 1.00 34.25 N ATOM 1259 CZ ARG A 83 -3.211 -8.943 -7.273 1.00 3.10 C ATOM 1260 NH1 ARG A 83 -3.103 -10.257 -7.409 1.00 63.33 N ATOM 1261 NH2 ARG A 83 -4.391 -8.404 -6.996 1.00 12.11 N ATOM 0 H ARG A 83 1.959 -6.728 -9.427 1.00 25.40 H new ATOM 0 HA ARG A 83 3.427 -8.834 -8.270 1.00 3.33 H new ATOM 0 HB2 ARG A 83 1.511 -8.883 -6.665 1.00 31.55 H new ATOM 0 HB3 ARG A 83 2.173 -7.280 -6.914 1.00 31.55 H new ATOM 0 HG2 ARG A 83 -0.056 -6.771 -7.077 1.00 73.21 H new ATOM 0 HG3 ARG A 83 0.257 -7.133 -8.762 1.00 73.21 H new ATOM 0 HD2 ARG A 83 -0.827 -9.196 -8.676 1.00 13.51 H new ATOM 0 HD3 ARG A 83 -0.520 -9.412 -6.964 1.00 13.51 H new ATOM 0 HE ARG A 83 -2.258 -7.160 -7.302 1.00 34.25 H new ATOM 0 HH11 ARG A 83 -2.197 -10.675 -7.622 1.00 63.33 H new ATOM 0 HH12 ARG A 83 -3.926 -10.850 -7.301 1.00 63.33 H new ATOM 0 HH21 ARG A 83 -4.478 -7.393 -6.890 1.00 12.11 H new ATOM 0 HH22 ARG A 83 -5.212 -9.000 -6.889 1.00 12.11 H new ATOM 1275 N CYS A 84 0.979 -9.722 -10.193 1.00 13.22 N ATOM 1276 CA CYS A 84 0.303 -10.859 -10.808 1.00 4.01 C ATOM 1277 C CYS A 84 1.304 -11.771 -11.510 1.00 22.24 C ATOM 1278 O CYS A 84 0.993 -12.916 -11.835 1.00 30.52 O ATOM 1279 CB CYS A 84 -0.750 -10.375 -11.805 1.00 50.43 C ATOM 1280 SG CYS A 84 -1.846 -11.678 -12.412 1.00 54.03 S ATOM 0 H CYS A 84 0.789 -8.826 -10.641 1.00 13.22 H new ATOM 0 HA CYS A 84 -0.189 -11.428 -10.019 1.00 4.01 H new ATOM 0 HB2 CYS A 84 -1.352 -9.599 -11.333 1.00 50.43 H new ATOM 0 HB3 CYS A 84 -0.246 -9.914 -12.654 1.00 50.43 H new ATOM 0 HG CYS A 84 -1.196 -12.803 -12.464 1.00 54.03 H new ATOM 1286 N MET A 85 2.507 -11.254 -11.741 1.00 74.52 N ATOM 1287 CA MET A 85 3.553 -12.023 -12.405 1.00 41.12 C ATOM 1288 C MET A 85 4.199 -13.010 -11.438 1.00 43.04 C ATOM 1289 O MET A 85 4.867 -13.957 -11.855 1.00 53.13 O ATOM 1290 CB MET A 85 4.616 -11.085 -12.982 1.00 20.54 C ATOM 1291 CG MET A 85 4.111 -10.227 -14.130 1.00 61.31 C ATOM 1292 SD MET A 85 5.418 -9.245 -14.890 1.00 2.10 S ATOM 1293 CE MET A 85 4.724 -8.957 -16.516 1.00 13.24 C ATOM 0 H MET A 85 2.781 -10.307 -11.478 1.00 74.52 H new ATOM 0 HA MET A 85 3.095 -12.586 -13.218 1.00 41.12 H new ATOM 0 HB2 MET A 85 4.985 -10.435 -12.188 1.00 20.54 H new ATOM 0 HB3 MET A 85 5.463 -11.678 -13.328 1.00 20.54 H new ATOM 0 HG2 MET A 85 3.658 -10.868 -14.886 1.00 61.31 H new ATOM 0 HG3 MET A 85 3.328 -9.562 -13.765 1.00 61.31 H new ATOM 0 HE1 MET A 85 5.418 -8.360 -17.108 1.00 13.24 H new ATOM 0 HE2 MET A 85 4.552 -9.912 -17.013 1.00 13.24 H new ATOM 0 HE3 MET A 85 3.779 -8.423 -16.419 1.00 13.24 H new ATOM 1303 N LYS A 86 3.997 -12.783 -10.145 1.00 4.31 N ATOM 1304 CA LYS A 86 4.559 -13.652 -9.118 1.00 22.00 C ATOM 1305 C LYS A 86 3.831 -14.992 -9.081 1.00 40.23 C ATOM 1306 O LYS A 86 4.326 -15.963 -8.509 1.00 45.22 O ATOM 1307 CB LYS A 86 4.476 -12.977 -7.747 1.00 53.53 C ATOM 1308 CG LYS A 86 4.746 -13.919 -6.587 1.00 44.13 C ATOM 1309 CD LYS A 86 3.462 -14.536 -6.059 1.00 63.31 C ATOM 1310 CE LYS A 86 3.232 -14.180 -4.599 1.00 1.45 C ATOM 1311 NZ LYS A 86 4.317 -14.703 -3.722 1.00 55.12 N ATOM 0 H LYS A 86 3.448 -12.004 -9.783 1.00 4.31 H new ATOM 0 HA LYS A 86 5.605 -13.833 -9.364 1.00 22.00 H new ATOM 0 HB2 LYS A 86 5.192 -12.156 -7.712 1.00 53.53 H new ATOM 0 HB3 LYS A 86 3.485 -12.540 -7.626 1.00 53.53 H new ATOM 0 HG2 LYS A 86 5.425 -14.709 -6.909 1.00 44.13 H new ATOM 0 HG3 LYS A 86 5.246 -13.376 -5.785 1.00 44.13 H new ATOM 0 HD2 LYS A 86 2.618 -14.190 -6.656 1.00 63.31 H new ATOM 0 HD3 LYS A 86 3.506 -15.620 -6.168 1.00 63.31 H new ATOM 0 HE2 LYS A 86 3.171 -13.097 -4.495 1.00 1.45 H new ATOM 0 HE3 LYS A 86 2.274 -14.586 -4.273 1.00 1.45 H new ATOM 0 HZ1 LYS A 86 3.958 -14.811 -2.752 1.00 55.12 H new ATOM 0 HZ2 LYS A 86 4.636 -15.626 -4.078 1.00 55.12 H new ATOM 0 HZ3 LYS A 86 5.116 -14.037 -3.723 1.00 55.12 H new ATOM 1325 N ASP A 87 2.654 -15.037 -9.696 1.00 63.40 N ATOM 1326 CA ASP A 87 1.859 -16.259 -9.736 1.00 21.23 C ATOM 1327 C ASP A 87 2.481 -17.282 -10.682 1.00 52.51 C ATOM 1328 O ASP A 87 2.113 -18.457 -10.671 1.00 5.55 O ATOM 1329 CB ASP A 87 0.427 -15.947 -10.172 1.00 12.02 C ATOM 1330 CG ASP A 87 0.274 -15.917 -11.680 1.00 3.41 C ATOM 1331 OD1 ASP A 87 1.209 -15.447 -12.361 1.00 3.51 O ATOM 1332 OD2 ASP A 87 -0.780 -16.362 -12.179 1.00 74.11 O ATOM 0 H ASP A 87 2.230 -14.242 -10.173 1.00 63.40 H new ATOM 0 HA ASP A 87 1.840 -16.684 -8.732 1.00 21.23 H new ATOM 0 HB2 ASP A 87 -0.247 -16.696 -9.756 1.00 12.02 H new ATOM 0 HB3 ASP A 87 0.127 -14.984 -9.760 1.00 12.02 H new ATOM 1337 N ASP A 88 3.423 -16.826 -11.501 1.00 33.13 N ATOM 1338 CA ASP A 88 4.096 -17.701 -12.454 1.00 14.11 C ATOM 1339 C ASP A 88 5.586 -17.384 -12.523 1.00 62.44 C ATOM 1340 O ASP A 88 5.989 -16.224 -12.444 1.00 51.23 O ATOM 1341 CB ASP A 88 3.466 -17.559 -13.841 1.00 23.33 C ATOM 1342 CG ASP A 88 3.859 -18.689 -14.773 1.00 11.23 C ATOM 1343 OD1 ASP A 88 3.172 -19.732 -14.763 1.00 3.45 O ATOM 1344 OD2 ASP A 88 4.853 -18.530 -15.512 1.00 24.34 O ATOM 0 H ASP A 88 3.738 -15.856 -11.524 1.00 33.13 H new ATOM 0 HA ASP A 88 3.977 -18.730 -12.113 1.00 14.11 H new ATOM 0 HB2 ASP A 88 2.381 -17.533 -13.743 1.00 23.33 H new ATOM 0 HB3 ASP A 88 3.769 -16.608 -14.279 1.00 23.33 H new ATOM 1349 N SER A 89 6.401 -18.424 -12.671 1.00 34.53 N ATOM 1350 CA SER A 89 7.847 -18.258 -12.746 1.00 4.11 C ATOM 1351 C SER A 89 8.392 -17.652 -11.456 1.00 41.31 C ATOM 1352 O SER A 89 9.410 -16.962 -11.497 1.00 31.24 O ATOM 1353 CB SER A 89 8.219 -17.371 -13.936 1.00 73.31 C ATOM 1354 OG SER A 89 7.463 -17.716 -15.084 1.00 55.40 O ATOM 0 H SER A 89 6.084 -19.391 -12.741 1.00 34.53 H new ATOM 0 HA SER A 89 8.294 -19.243 -12.882 1.00 4.11 H new ATOM 0 HB2 SER A 89 8.045 -16.325 -13.683 1.00 73.31 H new ATOM 0 HB3 SER A 89 9.282 -17.474 -14.152 1.00 73.31 H new ATOM 0 HG SER A 89 6.522 -17.484 -14.938 1.00 55.40 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.613 2.379 -4.077 1.00 35.25 CA