USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot -9:sc= 0.356 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -136:sc= 0.39 USER MOD Single : A 9 SER OG : rot -110:sc= 0.0538 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0479) USER MOD Single : A 13 LYS NZ :NH3+ 135:sc= 0.0345 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0.607 (180deg=0.604) USER MOD Single : A 21 MET CE :methyl -155:sc= -0.123 (180deg=-0.522) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.16) USER MOD Single : A 31 THR OG1 : rot 43:sc= 0.0755 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 0.712 (180deg=0.538) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.577 (180deg=0.482) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= -0.792 (180deg=-2.86!) USER MOD Single : A 49 SER OG : rot -81:sc= 0.84 USER MOD Single : A 50 GLN : amide:sc= -0.885 X(o=-0.88,f=-0.4) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.206 (180deg=0.098) USER MOD Single : A 72 GLN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -156:sc= 0 (180deg=-0.434) USER MOD Single : A 80 THR OG1 : rot -150:sc= -0.0163 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0.465 (180deg=0.312) USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 0.735 (180deg=0.73) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -150:sc= -0.0343 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -9.805 -2.626 10.016 1.00 22.51 N ATOM 21 CA LEU A 2 -9.289 -3.150 8.746 1.00 53.22 C ATOM 22 C LEU A 2 -8.173 -2.212 8.217 1.00 21.21 C ATOM 23 O LEU A 2 -8.448 -1.112 7.735 1.00 24.52 O ATOM 24 CB LEU A 2 -10.458 -3.249 7.719 1.00 1.30 C ATOM 25 CG LEU A 2 -11.728 -4.051 8.160 1.00 11.42 C ATOM 26 CD1 LEU A 2 -12.872 -3.879 7.131 1.00 44.20 C ATOM 27 CD2 LEU A 2 -11.407 -5.547 8.391 1.00 71.31 C ATOM 0 HA LEU A 2 -8.867 -4.144 8.895 1.00 53.22 H new ATOM 0 HB2 LEU A 2 -10.769 -2.236 7.462 1.00 1.30 H new ATOM 0 HB3 LEU A 2 -10.070 -3.704 6.808 1.00 1.30 H new ATOM 0 HG LEU A 2 -12.063 -3.641 9.113 1.00 11.42 H new ATOM 0 HD11 LEU A 2 -13.744 -4.445 7.458 1.00 44.20 H new ATOM 0 HD12 LEU A 2 -13.134 -2.824 7.051 1.00 44.20 H new ATOM 0 HD13 LEU A 2 -12.545 -4.247 6.158 1.00 44.20 H new ATOM 0 HD21 LEU A 2 -12.313 -6.071 8.696 1.00 71.31 H new ATOM 0 HD22 LEU A 2 -11.028 -5.985 7.467 1.00 71.31 H new ATOM 0 HD23 LEU A 2 -10.653 -5.641 9.173 1.00 71.31 H new ATOM 39 N LEU A 3 -6.910 -2.631 8.364 1.00 70.52 N ATOM 40 CA LEU A 3 -5.749 -1.853 7.880 1.00 3.45 C ATOM 41 C LEU A 3 -4.979 -2.658 6.828 1.00 53.22 C ATOM 42 O LEU A 3 -4.366 -3.689 7.138 1.00 65.02 O ATOM 43 CB LEU A 3 -4.837 -1.479 9.076 1.00 24.44 C ATOM 44 CG LEU A 3 -5.473 -0.555 10.164 1.00 40.02 C ATOM 45 CD1 LEU A 3 -4.540 -0.403 11.384 1.00 23.20 C ATOM 46 CD2 LEU A 3 -5.863 0.825 9.578 1.00 5.05 C ATOM 0 H LEU A 3 -6.659 -3.510 8.817 1.00 70.52 H new ATOM 0 HA LEU A 3 -6.097 -0.932 7.411 1.00 3.45 H new ATOM 0 HB2 LEU A 3 -4.508 -2.400 9.558 1.00 24.44 H new ATOM 0 HB3 LEU A 3 -3.946 -0.987 8.687 1.00 24.44 H new ATOM 0 HG LEU A 3 -6.390 -1.035 10.507 1.00 40.02 H new ATOM 0 HD11 LEU A 3 -5.010 0.245 12.123 1.00 23.20 H new ATOM 0 HD12 LEU A 3 -4.356 -1.382 11.825 1.00 23.20 H new ATOM 0 HD13 LEU A 3 -3.594 0.036 11.066 1.00 23.20 H new ATOM 0 HD21 LEU A 3 -6.302 1.442 10.362 1.00 5.05 H new ATOM 0 HD22 LEU A 3 -4.974 1.317 9.184 1.00 5.05 H new ATOM 0 HD23 LEU A 3 -6.588 0.688 8.775 1.00 5.05 H new ATOM 58 N TYR A 4 -5.020 -2.181 5.575 1.00 63.31 N ATOM 59 CA TYR A 4 -4.409 -2.872 4.429 1.00 63.20 C ATOM 60 C TYR A 4 -3.265 -2.043 3.852 1.00 33.23 C ATOM 61 O TYR A 4 -3.258 -0.817 3.956 1.00 72.32 O ATOM 62 CB TYR A 4 -5.479 -3.150 3.354 1.00 42.10 C ATOM 63 CG TYR A 4 -6.627 -4.028 3.865 1.00 72.11 C ATOM 64 CD1 TYR A 4 -6.475 -5.411 3.981 1.00 14.34 C ATOM 65 CD2 TYR A 4 -7.846 -3.481 4.262 1.00 73.02 C ATOM 66 CE1 TYR A 4 -7.492 -6.206 4.472 1.00 4.34 C ATOM 67 CE2 TYR A 4 -8.863 -4.281 4.742 1.00 31.12 C ATOM 68 CZ TYR A 4 -8.681 -5.638 4.850 1.00 74.14 C ATOM 69 OH TYR A 4 -9.687 -6.426 5.354 1.00 63.44 O ATOM 0 H TYR A 4 -5.478 -1.304 5.327 1.00 63.31 H new ATOM 0 HA TYR A 4 -3.998 -3.823 4.767 1.00 63.20 H new ATOM 0 HB2 TYR A 4 -5.884 -2.202 2.999 1.00 42.10 H new ATOM 0 HB3 TYR A 4 -5.009 -3.637 2.499 1.00 42.10 H new ATOM 0 HD1 TYR A 4 -5.544 -5.868 3.681 1.00 14.34 H new ATOM 0 HD2 TYR A 4 -7.997 -2.414 4.193 1.00 73.02 H new ATOM 0 HE1 TYR A 4 -7.351 -7.273 4.558 1.00 4.34 H new ATOM 0 HE2 TYR A 4 -9.804 -3.839 5.033 1.00 31.12 H new ATOM 0 HH TYR A 4 -10.541 -6.162 4.953 1.00 63.44 H new ATOM 79 N VAL A 5 -2.293 -2.747 3.267 1.00 0.20 N ATOM 80 CA VAL A 5 -1.075 -2.169 2.689 1.00 40.53 C ATOM 81 C VAL A 5 -0.909 -2.718 1.257 1.00 33.21 C ATOM 82 O VAL A 5 -0.831 -3.924 1.071 1.00 5.30 O ATOM 83 CB VAL A 5 0.184 -2.535 3.584 1.00 54.44 C ATOM 84 CG1 VAL A 5 1.509 -2.072 2.943 1.00 22.33 C ATOM 85 CG2 VAL A 5 0.033 -1.955 5.017 1.00 51.05 C ATOM 0 H VAL A 5 -2.331 -3.762 3.179 1.00 0.20 H new ATOM 0 HA VAL A 5 -1.153 -1.082 2.656 1.00 40.53 H new ATOM 0 HB VAL A 5 0.222 -3.622 3.652 1.00 54.44 H new ATOM 0 HG11 VAL A 5 2.342 -2.344 3.592 1.00 22.33 H new ATOM 0 HG12 VAL A 5 1.632 -2.554 1.973 1.00 22.33 H new ATOM 0 HG13 VAL A 5 1.491 -0.990 2.811 1.00 22.33 H new ATOM 0 HG21 VAL A 5 0.908 -2.219 5.611 1.00 51.05 H new ATOM 0 HG22 VAL A 5 -0.055 -0.870 4.963 1.00 51.05 H new ATOM 0 HG23 VAL A 5 -0.861 -2.368 5.484 1.00 51.05 H new ATOM 95 N LEU A 6 -0.891 -1.823 0.256 1.00 63.23 N ATOM 96 CA LEU A 6 -0.698 -2.184 -1.159 1.00 4.44 C ATOM 97 C LEU A 6 0.706 -1.757 -1.597 1.00 23.45 C ATOM 98 O LEU A 6 0.980 -0.566 -1.704 1.00 45.44 O ATOM 99 CB LEU A 6 -1.776 -1.493 -2.046 1.00 42.43 C ATOM 100 CG LEU A 6 -3.262 -1.836 -1.719 1.00 25.00 C ATOM 101 CD1 LEU A 6 -4.248 -1.224 -2.751 1.00 55.43 C ATOM 102 CD2 LEU A 6 -3.454 -3.353 -1.593 1.00 34.12 C ATOM 0 H LEU A 6 -1.011 -0.821 0.406 1.00 63.23 H new ATOM 0 HA LEU A 6 -0.802 -3.263 -1.276 1.00 4.44 H new ATOM 0 HB2 LEU A 6 -1.647 -0.414 -1.963 1.00 42.43 H new ATOM 0 HB3 LEU A 6 -1.584 -1.757 -3.086 1.00 42.43 H new ATOM 0 HG LEU A 6 -3.496 -1.381 -0.757 1.00 25.00 H new ATOM 0 HD11 LEU A 6 -5.270 -1.491 -2.480 1.00 55.43 H new ATOM 0 HD12 LEU A 6 -4.145 -0.139 -2.754 1.00 55.43 H new ATOM 0 HD13 LEU A 6 -4.023 -1.612 -3.744 1.00 55.43 H new ATOM 0 HD21 LEU A 6 -4.498 -3.570 -1.365 1.00 34.12 H new ATOM 0 HD22 LEU A 6 -3.181 -3.834 -2.532 1.00 34.12 H new ATOM 0 HD23 LEU A 6 -2.821 -3.735 -0.792 1.00 34.12 H new ATOM 114 N ILE A 7 1.593 -2.730 -1.835 1.00 40.01 N ATOM 115 CA ILE A 7 3.003 -2.447 -2.146 1.00 50.23 C ATOM 116 C ILE A 7 3.308 -2.715 -3.635 1.00 3.40 C ATOM 117 O ILE A 7 3.034 -3.796 -4.153 1.00 30.51 O ATOM 118 CB ILE A 7 3.969 -3.270 -1.211 1.00 11.03 C ATOM 119 CG1 ILE A 7 5.455 -2.890 -1.501 1.00 2.31 C ATOM 120 CG2 ILE A 7 3.740 -4.801 -1.318 1.00 53.40 C ATOM 121 CD1 ILE A 7 6.453 -3.534 -0.570 1.00 21.30 C ATOM 0 H ILE A 7 1.361 -3.723 -1.819 1.00 40.01 H new ATOM 0 HA ILE A 7 3.179 -1.388 -1.955 1.00 50.23 H new ATOM 0 HB ILE A 7 3.736 -3.001 -0.181 1.00 11.03 H new ATOM 0 HG12 ILE A 7 5.697 -3.172 -2.526 1.00 2.31 H new ATOM 0 HG13 ILE A 7 5.560 -1.807 -1.435 1.00 2.31 H new ATOM 0 HG21 ILE A 7 4.431 -5.320 -0.654 1.00 53.40 H new ATOM 0 HG22 ILE A 7 2.715 -5.037 -1.031 1.00 53.40 H new ATOM 0 HG23 ILE A 7 3.912 -5.124 -2.345 1.00 53.40 H new ATOM 0 HD11 ILE A 7 7.460 -3.217 -0.841 1.00 21.30 H new ATOM 0 HD12 ILE A 7 6.241 -3.232 0.456 1.00 21.30 H new ATOM 0 HD13 ILE A 7 6.380 -4.618 -0.652 1.00 21.30 H new ATOM 133 N ILE A 8 3.868 -1.699 -4.310 1.00 72.34 N ATOM 134 CA ILE A 8 4.278 -1.759 -5.718 1.00 1.11 C ATOM 135 C ILE A 8 5.804 -1.574 -5.744 1.00 43.11 C ATOM 136 O ILE A 8 6.296 -0.449 -5.559 1.00 51.15 O ATOM 137 CB ILE A 8 3.584 -0.608 -6.564 1.00 53.31 C ATOM 138 CG1 ILE A 8 2.061 -0.519 -6.230 1.00 4.22 C ATOM 139 CG2 ILE A 8 3.811 -0.814 -8.090 1.00 51.40 C ATOM 140 CD1 ILE A 8 1.311 0.611 -6.912 1.00 11.21 C ATOM 0 H ILE A 8 4.052 -0.793 -3.880 1.00 72.34 H new ATOM 0 HA ILE A 8 3.981 -2.711 -6.158 1.00 1.11 H new ATOM 0 HB ILE A 8 4.048 0.339 -6.287 1.00 53.31 H new ATOM 0 HG12 ILE A 8 1.590 -1.463 -6.505 1.00 4.22 H new ATOM 0 HG13 ILE A 8 1.948 -0.408 -5.151 1.00 4.22 H new ATOM 0 HG21 ILE A 8 3.324 -0.010 -8.642 1.00 51.40 H new ATOM 0 HG22 ILE A 8 4.880 -0.805 -8.303 1.00 51.40 H new ATOM 0 HG23 ILE A 8 3.388 -1.771 -8.395 1.00 51.40 H new ATOM 0 HD11 ILE A 8 0.263 0.584 -6.614 1.00 11.21 H new ATOM 0 HD12 ILE A 8 1.747 1.566 -6.619 1.00 11.21 H new ATOM 0 HD13 ILE A 8 1.383 0.495 -7.993 1.00 11.21 H new ATOM 152 N SER A 9 6.547 -2.677 -5.923 1.00 14.45 N ATOM 153 CA SER A 9 8.019 -2.643 -5.916 1.00 35.35 C ATOM 154 C SER A 9 8.599 -3.806 -6.733 1.00 52.01 C ATOM 155 O SER A 9 8.099 -4.937 -6.672 1.00 63.43 O ATOM 156 CB SER A 9 8.556 -2.690 -4.460 1.00 35.41 C ATOM 157 OG SER A 9 9.974 -2.598 -4.417 1.00 33.34 O ATOM 0 H SER A 9 6.152 -3.605 -6.075 1.00 14.45 H new ATOM 0 HA SER A 9 8.337 -1.708 -6.378 1.00 35.35 H new ATOM 0 HB2 SER A 9 8.121 -1.872 -3.886 1.00 35.41 H new ATOM 0 HB3 SER A 9 8.237 -3.618 -3.985 1.00 35.41 H new ATOM 0 HG SER A 9 10.349 -3.460 -4.139 1.00 33.34 H new ATOM 163 N ASN A 10 9.654 -3.495 -7.504 1.00 35.54 N ATOM 164 CA ASN A 10 10.458 -4.482 -8.255 1.00 51.11 C ATOM 165 C ASN A 10 11.491 -5.156 -7.332 1.00 71.44 C ATOM 166 O ASN A 10 12.026 -6.217 -7.667 1.00 65.04 O ATOM 167 CB ASN A 10 11.188 -3.791 -9.437 1.00 33.21 C ATOM 168 CG ASN A 10 10.227 -3.146 -10.439 1.00 11.12 C ATOM 169 OD1 ASN A 10 9.858 -1.979 -10.296 1.00 43.24 O ATOM 170 ND2 ASN A 10 9.807 -3.898 -11.450 1.00 55.12 N ATOM 0 H ASN A 10 9.980 -2.536 -7.627 1.00 35.54 H new ATOM 0 HA ASN A 10 9.784 -5.245 -8.645 1.00 51.11 H new ATOM 0 HB2 ASN A 10 11.861 -3.028 -9.045 1.00 33.21 H new ATOM 0 HB3 ASN A 10 11.805 -4.525 -9.955 1.00 33.21 H new ATOM 0 HD21 ASN A 10 9.159 -3.513 -12.137 1.00 55.12 H new ATOM 0 HD22 ASN A 10 10.132 -4.861 -11.539 1.00 55.12 H new ATOM 177 N ASP A 11 11.778 -4.512 -6.180 1.00 23.53 N ATOM 178 CA ASP A 11 12.740 -5.017 -5.195 1.00 14.34 C ATOM 179 C ASP A 11 12.049 -6.005 -4.256 1.00 64.34 C ATOM 180 O ASP A 11 11.241 -5.604 -3.409 1.00 42.33 O ATOM 181 CB ASP A 11 13.354 -3.870 -4.366 1.00 63.44 C ATOM 182 CG ASP A 11 14.069 -2.828 -5.223 1.00 35.12 C ATOM 183 OD1 ASP A 11 15.213 -3.088 -5.657 1.00 62.11 O ATOM 184 OD2 ASP A 11 13.492 -1.750 -5.471 1.00 2.05 O ATOM 0 H ASP A 11 11.345 -3.628 -5.913 1.00 23.53 H new ATOM 0 HA ASP A 11 13.543 -5.516 -5.738 1.00 14.34 H new ATOM 0 HB2 ASP A 11 12.566 -3.382 -3.793 1.00 63.44 H new ATOM 0 HB3 ASP A 11 14.059 -4.287 -3.647 1.00 63.44 H new ATOM 189 N LYS A 12 12.386 -7.288 -4.421 1.00 12.21 N ATOM 190 CA LYS A 12 11.905 -8.391 -3.567 1.00 54.45 C ATOM 191 C LYS A 12 12.387 -8.202 -2.116 1.00 62.20 C ATOM 192 O LYS A 12 11.698 -8.604 -1.181 1.00 75.41 O ATOM 193 CB LYS A 12 12.367 -9.776 -4.129 1.00 30.45 C ATOM 194 CG LYS A 12 11.602 -10.277 -5.392 1.00 65.30 C ATOM 195 CD LYS A 12 11.773 -9.362 -6.628 1.00 12.21 C ATOM 196 CE LYS A 12 11.037 -9.890 -7.873 1.00 21.50 C ATOM 197 NZ LYS A 12 11.579 -11.197 -8.339 1.00 74.34 N ATOM 0 H LYS A 12 13.012 -7.600 -5.164 1.00 12.21 H new ATOM 0 HA LYS A 12 10.815 -8.373 -3.571 1.00 54.45 H new ATOM 0 HB2 LYS A 12 13.429 -9.715 -4.369 1.00 30.45 H new ATOM 0 HB3 LYS A 12 12.260 -10.522 -3.341 1.00 30.45 H new ATOM 0 HG2 LYS A 12 11.950 -11.279 -5.642 1.00 65.30 H new ATOM 0 HG3 LYS A 12 10.541 -10.358 -5.155 1.00 65.30 H new ATOM 0 HD2 LYS A 12 11.403 -8.365 -6.389 1.00 12.21 H new ATOM 0 HD3 LYS A 12 12.834 -9.262 -6.855 1.00 12.21 H new ATOM 0 HE2 LYS A 12 9.976 -9.999 -7.646 1.00 21.50 H new ATOM 0 HE3 LYS A 12 11.117 -9.159 -8.677 1.00 21.50 H new ATOM 0 HZ1 LYS A 12 11.135 -11.454 -9.244 1.00 74.34 H new ATOM 0 HZ2 LYS A 12 12.608 -11.120 -8.468 1.00 74.34 H new ATOM 0 HZ3 LYS A 12 11.373 -11.931 -7.631 1.00 74.34 H new ATOM 211 N LYS A 13 13.560 -7.551 -1.946 1.00 32.42 N ATOM 212 CA LYS A 13 14.111 -7.233 -0.621 1.00 12.53 C ATOM 213 C LYS A 13 13.214 -6.200 0.085 1.00 34.12 C ATOM 214 O LYS A 13 12.932 -6.341 1.270 1.00 41.40 O ATOM 215 CB LYS A 13 15.565 -6.692 -0.726 1.00 12.30 C ATOM 216 CG LYS A 13 16.595 -7.579 -1.479 1.00 22.42 C ATOM 217 CD LYS A 13 16.890 -8.971 -0.835 1.00 70.20 C ATOM 218 CE LYS A 13 15.922 -10.079 -1.289 1.00 60.15 C ATOM 219 NZ LYS A 13 16.281 -11.417 -0.737 1.00 34.20 N ATOM 0 H LYS A 13 14.143 -7.236 -2.721 1.00 32.42 H new ATOM 0 HA LYS A 13 14.137 -8.152 -0.036 1.00 12.53 H new ATOM 0 HB2 LYS A 13 15.530 -5.720 -1.219 1.00 12.30 H new ATOM 0 HB3 LYS A 13 15.938 -6.524 0.284 1.00 12.30 H new ATOM 0 HG2 LYS A 13 16.235 -7.739 -2.495 1.00 22.42 H new ATOM 0 HG3 LYS A 13 17.533 -7.029 -1.556 1.00 22.42 H new ATOM 0 HD2 LYS A 13 17.909 -9.267 -1.082 1.00 70.20 H new ATOM 0 HD3 LYS A 13 16.839 -8.878 0.250 1.00 70.20 H new ATOM 0 HE2 LYS A 13 14.910 -9.822 -0.978 1.00 60.15 H new ATOM 0 HE3 LYS A 13 15.918 -10.129 -2.378 1.00 60.15 H new ATOM 0 HZ1 LYS A 13 15.424 -11.888 -0.383 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 16.711 -11.997 -1.485 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 16.959 -11.300 0.043 1.00 34.20 H new ATOM 233 N LEU A 14 12.766 -5.181 -0.680 1.00 70.04 N ATOM 234 CA LEU A 14 11.880 -4.108 -0.175 1.00 33.30 C ATOM 235 C LEU A 14 10.515 -4.699 0.250 1.00 71.52 C ATOM 236 O LEU A 14 9.964 -4.307 1.283 1.00 31.15 O ATOM 237 CB LEU A 14 11.731 -3.000 -1.276 1.00 51.11 C ATOM 238 CG LEU A 14 11.124 -1.598 -0.873 1.00 35.31 C ATOM 239 CD1 LEU A 14 11.544 -0.498 -1.880 1.00 23.40 C ATOM 240 CD2 LEU A 14 9.585 -1.626 -0.733 1.00 21.30 C ATOM 0 H LEU A 14 13.008 -5.079 -1.666 1.00 70.04 H new ATOM 0 HA LEU A 14 12.317 -3.646 0.710 1.00 33.30 H new ATOM 0 HB2 LEU A 14 12.719 -2.821 -1.699 1.00 51.11 H new ATOM 0 HB3 LEU A 14 11.112 -3.410 -2.074 1.00 51.11 H new ATOM 0 HG LEU A 14 11.534 -1.362 0.109 1.00 35.31 H new ATOM 0 HD11 LEU A 14 11.112 0.456 -1.578 1.00 23.40 H new ATOM 0 HD12 LEU A 14 12.631 -0.415 -1.896 1.00 23.40 H new ATOM 0 HD13 LEU A 14 11.185 -0.760 -2.875 1.00 23.40 H new ATOM 0 HD21 LEU A 14 9.227 -0.635 -0.455 1.00 21.30 H new ATOM 0 HD22 LEU A 14 9.139 -1.920 -1.683 1.00 21.30 H new ATOM 0 HD23 LEU A 14 9.303 -2.343 0.038 1.00 21.30 H new ATOM 252 N ILE A 15 9.994 -5.647 -0.556 1.00 64.52 N ATOM 253 CA ILE A 15 8.701 -6.316 -0.287 1.00 13.22 C ATOM 254 C ILE A 15 8.792 -7.209 0.974 1.00 40.42 C ATOM 255 O ILE A 15 7.851 -7.258 1.776 1.00 41.33 O ATOM 256 CB ILE A 15 8.215 -7.167 -1.524 1.00 64.21 C ATOM 257 CG1 ILE A 15 8.142 -6.285 -2.815 1.00 31.11 C ATOM 258 CG2 ILE A 15 6.840 -7.824 -1.245 1.00 31.15 C ATOM 259 CD1 ILE A 15 7.816 -7.050 -4.087 1.00 11.52 C ATOM 0 H ILE A 15 10.453 -5.970 -1.407 1.00 64.52 H new ATOM 0 HA ILE A 15 7.965 -5.532 -0.109 1.00 13.22 H new ATOM 0 HB ILE A 15 8.946 -7.959 -1.686 1.00 64.21 H new ATOM 0 HG12 ILE A 15 7.388 -5.512 -2.669 1.00 31.11 H new ATOM 0 HG13 ILE A 15 9.098 -5.777 -2.947 1.00 31.11 H new ATOM 0 HG21 ILE A 15 6.531 -8.404 -2.115 1.00 31.15 H new ATOM 0 HG22 ILE A 15 6.920 -8.482 -0.380 1.00 31.15 H new ATOM 0 HG23 ILE A 15 6.100 -7.049 -1.044 1.00 31.15 H new ATOM 0 HD11 ILE A 15 7.786 -6.359 -4.930 1.00 11.52 H new ATOM 0 HD12 ILE A 15 8.582 -7.805 -4.264 1.00 11.52 H new ATOM 0 HD13 ILE A 15 6.846 -7.535 -3.981 1.00 11.52 H new ATOM 271 N GLU A 16 9.937 -7.897 1.124 1.00 60.12 N ATOM 272 CA GLU A 16 10.237 -8.728 2.312 1.00 74.32 C ATOM 273 C GLU A 16 10.306 -7.865 3.582 1.00 42.45 C ATOM 274 O GLU A 16 9.636 -8.167 4.565 1.00 12.31 O ATOM 275 CB GLU A 16 11.559 -9.522 2.113 1.00 61.51 C ATOM 276 CG GLU A 16 11.428 -10.734 1.173 1.00 60.23 C ATOM 277 CD GLU A 16 12.774 -11.399 0.858 1.00 32.34 C ATOM 278 OE1 GLU A 16 13.438 -11.890 1.800 1.00 52.00 O ATOM 279 OE2 GLU A 16 13.172 -11.431 -0.324 1.00 62.25 O ATOM 0 H GLU A 16 10.683 -7.895 0.428 1.00 60.12 H new ATOM 0 HA GLU A 16 9.425 -9.445 2.434 1.00 74.32 H new ATOM 0 HB2 GLU A 16 12.319 -8.848 1.716 1.00 61.51 H new ATOM 0 HB3 GLU A 16 11.914 -9.866 3.085 1.00 61.51 H new ATOM 0 HG2 GLU A 16 10.764 -11.469 1.628 1.00 60.23 H new ATOM 0 HG3 GLU A 16 10.960 -10.415 0.242 1.00 60.23 H new ATOM 286 N GLU A 17 11.085 -6.773 3.522 1.00 74.34 N ATOM 287 CA GLU A 17 11.268 -5.829 4.646 1.00 65.11 C ATOM 288 C GLU A 17 9.937 -5.215 5.096 1.00 64.24 C ATOM 289 O GLU A 17 9.681 -5.050 6.300 1.00 45.20 O ATOM 290 CB GLU A 17 12.251 -4.704 4.241 1.00 23.21 C ATOM 291 CG GLU A 17 13.720 -5.140 4.141 1.00 11.24 C ATOM 292 CD GLU A 17 14.273 -5.742 5.448 1.00 14.34 C ATOM 293 OE1 GLU A 17 14.443 -4.992 6.441 1.00 75.42 O ATOM 294 OE2 GLU A 17 14.540 -6.969 5.491 1.00 32.14 O ATOM 0 H GLU A 17 11.611 -6.515 2.687 1.00 74.34 H new ATOM 0 HA GLU A 17 11.679 -6.392 5.484 1.00 65.11 H new ATOM 0 HB2 GLU A 17 11.940 -4.298 3.278 1.00 23.21 H new ATOM 0 HB3 GLU A 17 12.175 -3.895 4.967 1.00 23.21 H new ATOM 0 HG2 GLU A 17 13.819 -5.874 3.342 1.00 11.24 H new ATOM 0 HG3 GLU A 17 14.328 -4.280 3.861 1.00 11.24 H new ATOM 301 N ALA A 18 9.113 -4.873 4.106 1.00 34.31 N ATOM 302 CA ALA A 18 7.780 -4.322 4.326 1.00 22.25 C ATOM 303 C ALA A 18 6.856 -5.361 4.992 1.00 64.45 C ATOM 304 O ALA A 18 6.120 -5.035 5.925 1.00 1.22 O ATOM 305 CB ALA A 18 7.201 -3.856 2.991 1.00 61.42 C ATOM 0 H ALA A 18 9.356 -4.972 3.120 1.00 34.31 H new ATOM 0 HA ALA A 18 7.854 -3.470 5.002 1.00 22.25 H new ATOM 0 HB1 ALA A 18 6.205 -3.443 3.151 1.00 61.42 H new ATOM 0 HB2 ALA A 18 7.847 -3.090 2.562 1.00 61.42 H new ATOM 0 HB3 ALA A 18 7.138 -4.702 2.307 1.00 61.42 H new ATOM 311 N ARG A 19 6.919 -6.612 4.491 1.00 34.31 N ATOM 312 CA ARG A 19 6.089 -7.733 4.984 1.00 33.52 C ATOM 313 C ARG A 19 6.433 -8.087 6.446 1.00 0.10 C ATOM 314 O ARG A 19 5.539 -8.419 7.229 1.00 4.25 O ATOM 315 CB ARG A 19 6.251 -8.975 4.064 1.00 43.43 C ATOM 316 CG ARG A 19 5.346 -10.171 4.443 1.00 44.23 C ATOM 317 CD ARG A 19 5.515 -11.387 3.510 1.00 12.40 C ATOM 318 NE ARG A 19 5.139 -11.097 2.115 1.00 32.11 N ATOM 319 CZ ARG A 19 3.887 -11.105 1.623 1.00 60.52 C ATOM 320 NH1 ARG A 19 2.839 -11.383 2.391 1.00 13.34 N ATOM 321 NH2 ARG A 19 3.693 -10.835 0.346 1.00 73.32 N ATOM 0 H ARG A 19 7.548 -6.875 3.732 1.00 34.31 H new ATOM 0 HA ARG A 19 5.047 -7.415 4.958 1.00 33.52 H new ATOM 0 HB2 ARG A 19 6.035 -8.682 3.037 1.00 43.43 H new ATOM 0 HB3 ARG A 19 7.291 -9.299 4.091 1.00 43.43 H new ATOM 0 HG2 ARG A 19 5.567 -10.474 5.466 1.00 44.23 H new ATOM 0 HG3 ARG A 19 4.305 -9.850 4.424 1.00 44.23 H new ATOM 0 HD2 ARG A 19 6.553 -11.720 3.540 1.00 12.40 H new ATOM 0 HD3 ARG A 19 4.906 -12.211 3.881 1.00 12.40 H new ATOM 0 HE ARG A 19 5.893 -10.871 1.467 1.00 32.11 H new ATOM 0 HH11 ARG A 19 2.973 -11.597 3.379 1.00 13.34 H new ATOM 0 HH12 ARG A 19 1.900 -11.382 1.992 1.00 13.34 H new ATOM 0 HH21 ARG A 19 4.488 -10.623 -0.257 1.00 73.32 H new ATOM 0 HH22 ARG A 19 2.748 -10.838 -0.038 1.00 73.32 H new ATOM 335 N LYS A 20 7.731 -7.988 6.794 1.00 44.14 N ATOM 336 CA LYS A 20 8.226 -8.247 8.161 1.00 42.32 C ATOM 337 C LYS A 20 7.544 -7.295 9.156 1.00 71.43 C ATOM 338 O LYS A 20 6.963 -7.734 10.156 1.00 33.20 O ATOM 339 CB LYS A 20 9.772 -8.086 8.236 1.00 72.54 C ATOM 340 CG LYS A 20 10.564 -9.120 7.409 1.00 71.24 C ATOM 341 CD LYS A 20 12.091 -8.889 7.446 1.00 75.30 C ATOM 342 CE LYS A 20 12.866 -9.913 6.593 1.00 44.33 C ATOM 343 NZ LYS A 20 14.338 -9.708 6.668 1.00 70.53 N ATOM 0 H LYS A 20 8.465 -7.727 6.136 1.00 44.14 H new ATOM 0 HA LYS A 20 7.980 -9.276 8.424 1.00 42.32 H new ATOM 0 HB2 LYS A 20 10.037 -7.086 7.894 1.00 72.54 H new ATOM 0 HB3 LYS A 20 10.082 -8.159 9.278 1.00 72.54 H new ATOM 0 HG2 LYS A 20 10.345 -10.120 7.784 1.00 71.24 H new ATOM 0 HG3 LYS A 20 10.223 -9.086 6.374 1.00 71.24 H new ATOM 0 HD2 LYS A 20 12.311 -7.883 7.089 1.00 75.30 H new ATOM 0 HD3 LYS A 20 12.438 -8.944 8.478 1.00 75.30 H new ATOM 0 HE2 LYS A 20 12.624 -10.921 6.929 1.00 44.33 H new ATOM 0 HE3 LYS A 20 12.543 -9.837 5.555 1.00 44.33 H new ATOM 0 HZ1 LYS A 20 14.819 -10.439 6.107 1.00 70.53 H new ATOM 0 HZ2 LYS A 20 14.577 -8.769 6.291 1.00 70.53 H new ATOM 0 HZ3 LYS A 20 14.647 -9.773 7.659 1.00 70.53 H new ATOM 357 N MET A 21 7.574 -5.998 8.820 1.00 15.42 N ATOM 358 CA MET A 21 6.979 -4.935 9.644 1.00 31.22 C ATOM 359 C MET A 21 5.449 -4.991 9.643 1.00 44.21 C ATOM 360 O MET A 21 4.829 -4.634 10.643 1.00 3.34 O ATOM 361 CB MET A 21 7.473 -3.541 9.173 1.00 5.04 C ATOM 362 CG MET A 21 8.898 -3.214 9.631 1.00 15.24 C ATOM 363 SD MET A 21 9.102 -3.281 11.428 1.00 61.42 S ATOM 364 CE MET A 21 7.812 -2.163 11.986 1.00 21.05 C ATOM 0 H MET A 21 8.013 -5.655 7.966 1.00 15.42 H new ATOM 0 HA MET A 21 7.307 -5.100 10.670 1.00 31.22 H new ATOM 0 HB2 MET A 21 7.430 -3.497 8.085 1.00 5.04 H new ATOM 0 HB3 MET A 21 6.794 -2.776 9.550 1.00 5.04 H new ATOM 0 HG2 MET A 21 9.592 -3.915 9.167 1.00 15.24 H new ATOM 0 HG3 MET A 21 9.167 -2.218 9.278 1.00 15.24 H new ATOM 0 HE1 MET A 21 8.077 -1.761 12.964 1.00 21.05 H new ATOM 0 HE2 MET A 21 7.706 -1.345 11.274 1.00 21.05 H new ATOM 0 HE3 MET A 21 6.869 -2.704 12.060 1.00 21.05 H new ATOM 374 N ALA A 22 4.855 -5.404 8.515 1.00 41.12 N ATOM 375 CA ALA A 22 3.395 -5.538 8.387 1.00 25.34 C ATOM 376 C ALA A 22 2.828 -6.580 9.369 1.00 41.11 C ATOM 377 O ALA A 22 1.852 -6.307 10.061 1.00 43.43 O ATOM 378 CB ALA A 22 3.016 -5.878 6.940 1.00 22.01 C ATOM 0 H ALA A 22 5.368 -5.654 7.670 1.00 41.12 H new ATOM 0 HA ALA A 22 2.947 -4.579 8.647 1.00 25.34 H new ATOM 0 HB1 ALA A 22 1.933 -5.974 6.860 1.00 22.01 H new ATOM 0 HB2 ALA A 22 3.359 -5.083 6.278 1.00 22.01 H new ATOM 0 HB3 ALA A 22 3.486 -6.819 6.652 1.00 22.01 H new ATOM 384 N GLU A 23 3.473 -7.758 9.429 1.00 22.44 N ATOM 385 CA GLU A 23 3.084 -8.857 10.351 1.00 12.55 C ATOM 386 C GLU A 23 3.254 -8.440 11.831 1.00 63.35 C ATOM 387 O GLU A 23 2.430 -8.799 12.682 1.00 3.22 O ATOM 388 CB GLU A 23 3.916 -10.125 10.038 1.00 53.40 C ATOM 389 CG GLU A 23 3.694 -10.686 8.617 1.00 14.30 C ATOM 390 CD GLU A 23 4.621 -11.867 8.280 1.00 2.32 C ATOM 391 OE1 GLU A 23 5.791 -11.625 7.905 1.00 75.12 O ATOM 392 OE2 GLU A 23 4.192 -13.038 8.394 1.00 64.20 O ATOM 0 H GLU A 23 4.278 -7.982 8.844 1.00 22.44 H new ATOM 0 HA GLU A 23 2.028 -9.078 10.195 1.00 12.55 H new ATOM 0 HB2 GLU A 23 4.974 -9.894 10.165 1.00 53.40 H new ATOM 0 HB3 GLU A 23 3.669 -10.898 10.766 1.00 53.40 H new ATOM 0 HG2 GLU A 23 2.657 -11.007 8.518 1.00 14.30 H new ATOM 0 HG3 GLU A 23 3.852 -9.889 7.890 1.00 14.30 H new ATOM 399 N LYS A 24 4.314 -7.659 12.112 1.00 51.41 N ATOM 400 CA LYS A 24 4.589 -7.119 13.464 1.00 72.34 C ATOM 401 C LYS A 24 3.551 -6.051 13.853 1.00 34.13 C ATOM 402 O LYS A 24 3.162 -5.945 15.020 1.00 20.41 O ATOM 403 CB LYS A 24 6.020 -6.528 13.524 1.00 40.40 C ATOM 404 CG LYS A 24 7.138 -7.564 13.291 1.00 42.35 C ATOM 405 CD LYS A 24 8.546 -6.928 13.261 1.00 3.23 C ATOM 406 CE LYS A 24 9.630 -7.947 12.875 1.00 63.40 C ATOM 407 NZ LYS A 24 10.992 -7.361 12.925 1.00 45.15 N ATOM 0 H LYS A 24 5.004 -7.383 11.413 1.00 51.41 H new ATOM 0 HA LYS A 24 4.516 -7.938 14.180 1.00 72.34 H new ATOM 0 HB2 LYS A 24 6.108 -5.740 12.776 1.00 40.40 H new ATOM 0 HB3 LYS A 24 6.169 -6.061 14.498 1.00 40.40 H new ATOM 0 HG2 LYS A 24 7.101 -8.316 14.079 1.00 42.35 H new ATOM 0 HG3 LYS A 24 6.958 -8.081 12.349 1.00 42.35 H new ATOM 0 HD2 LYS A 24 8.556 -6.102 12.550 1.00 3.23 H new ATOM 0 HD3 LYS A 24 8.775 -6.508 14.241 1.00 3.23 H new ATOM 0 HE2 LYS A 24 9.579 -8.802 13.549 1.00 63.40 H new ATOM 0 HE3 LYS A 24 9.434 -8.321 11.870 1.00 63.40 H new ATOM 0 HZ1 LYS A 24 11.691 -8.083 12.657 1.00 45.15 H new ATOM 0 HZ2 LYS A 24 11.050 -6.561 12.263 1.00 45.15 H new ATOM 0 HZ3 LYS A 24 11.191 -7.027 13.890 1.00 45.15 H new ATOM 421 N ALA A 25 3.108 -5.275 12.856 1.00 61.14 N ATOM 422 CA ALA A 25 2.095 -4.217 13.026 1.00 63.04 C ATOM 423 C ALA A 25 0.664 -4.763 12.856 1.00 23.32 C ATOM 424 O ALA A 25 -0.297 -4.002 12.991 1.00 43.15 O ATOM 425 CB ALA A 25 2.386 -3.088 12.022 1.00 24.34 C ATOM 0 H ALA A 25 3.444 -5.362 11.897 1.00 61.14 H new ATOM 0 HA ALA A 25 2.156 -3.826 14.042 1.00 63.04 H new ATOM 0 HB1 ALA A 25 1.643 -2.298 12.137 1.00 24.34 H new ATOM 0 HB2 ALA A 25 3.380 -2.682 12.209 1.00 24.34 H new ATOM 0 HB3 ALA A 25 2.341 -3.483 11.007 1.00 24.34 H new ATOM 431 N ASN A 26 0.551 -6.080 12.536 1.00 70.53 N ATOM 432 CA ASN A 26 -0.733 -6.819 12.351 1.00 52.30 C ATOM 433 C ASN A 26 -1.545 -6.274 11.136 1.00 40.11 C ATOM 434 O ASN A 26 -2.756 -6.507 11.009 1.00 30.12 O ATOM 435 CB ASN A 26 -1.563 -6.823 13.682 1.00 14.30 C ATOM 436 CG ASN A 26 -2.812 -7.740 13.698 1.00 63.22 C ATOM 437 OD1 ASN A 26 -3.833 -7.396 14.292 1.00 2.42 O ATOM 438 ND2 ASN A 26 -2.736 -8.910 13.069 1.00 4.02 N ATOM 0 H ASN A 26 1.368 -6.674 12.396 1.00 70.53 H new ATOM 0 HA ASN A 26 -0.499 -7.857 12.113 1.00 52.30 H new ATOM 0 HB2 ASN A 26 -0.905 -7.124 14.497 1.00 14.30 H new ATOM 0 HB3 ASN A 26 -1.883 -5.802 13.891 1.00 14.30 H new ATOM 0 HD21 ASN A 26 -3.535 -9.544 13.072 1.00 4.02 H new ATOM 0 HD22 ASN A 26 -1.879 -9.173 12.583 1.00 4.02 H new ATOM 445 N LEU A 27 -0.855 -5.567 10.225 1.00 11.42 N ATOM 446 CA LEU A 27 -1.456 -5.051 8.978 1.00 34.12 C ATOM 447 C LEU A 27 -1.428 -6.138 7.895 1.00 54.34 C ATOM 448 O LEU A 27 -0.504 -6.952 7.852 1.00 4.13 O ATOM 449 CB LEU A 27 -0.693 -3.796 8.468 1.00 71.42 C ATOM 450 CG LEU A 27 -0.392 -2.685 9.518 1.00 72.44 C ATOM 451 CD1 LEU A 27 0.178 -1.423 8.850 1.00 63.54 C ATOM 452 CD2 LEU A 27 -1.621 -2.362 10.384 1.00 30.43 C ATOM 0 H LEU A 27 0.133 -5.336 10.330 1.00 11.42 H new ATOM 0 HA LEU A 27 -2.487 -4.769 9.191 1.00 34.12 H new ATOM 0 HB2 LEU A 27 0.254 -4.124 8.039 1.00 71.42 H new ATOM 0 HB3 LEU A 27 -1.272 -3.351 7.659 1.00 71.42 H new ATOM 0 HG LEU A 27 0.373 -3.076 10.189 1.00 72.44 H new ATOM 0 HD11 LEU A 27 0.377 -0.667 9.610 1.00 63.54 H new ATOM 0 HD12 LEU A 27 1.105 -1.672 8.334 1.00 63.54 H new ATOM 0 HD13 LEU A 27 -0.544 -1.034 8.132 1.00 63.54 H new ATOM 0 HD21 LEU A 27 -1.366 -1.583 11.102 1.00 30.43 H new ATOM 0 HD22 LEU A 27 -2.434 -2.016 9.746 1.00 30.43 H new ATOM 0 HD23 LEU A 27 -1.935 -3.259 10.918 1.00 30.43 H new ATOM 464 N GLU A 28 -2.432 -6.125 7.008 1.00 62.02 N ATOM 465 CA GLU A 28 -2.507 -7.062 5.874 1.00 21.20 C ATOM 466 C GLU A 28 -1.753 -6.465 4.675 1.00 53.44 C ATOM 467 O GLU A 28 -2.142 -5.414 4.176 1.00 72.43 O ATOM 468 CB GLU A 28 -4.002 -7.379 5.499 1.00 14.43 C ATOM 469 CG GLU A 28 -4.425 -8.849 5.712 1.00 33.34 C ATOM 470 CD GLU A 28 -3.503 -9.852 4.985 1.00 12.13 C ATOM 471 OE1 GLU A 28 -3.570 -9.955 3.739 1.00 42.40 O ATOM 472 OE2 GLU A 28 -2.718 -10.553 5.656 1.00 44.42 O ATOM 0 H GLU A 28 -3.212 -5.469 7.054 1.00 62.02 H new ATOM 0 HA GLU A 28 -2.039 -8.004 6.159 1.00 21.20 H new ATOM 0 HB2 GLU A 28 -4.654 -6.738 6.092 1.00 14.43 H new ATOM 0 HB3 GLU A 28 -4.163 -7.117 4.453 1.00 14.43 H new ATOM 0 HG2 GLU A 28 -4.425 -9.071 6.779 1.00 33.34 H new ATOM 0 HG3 GLU A 28 -5.448 -8.982 5.359 1.00 33.34 H new ATOM 479 N LEU A 29 -0.691 -7.143 4.212 1.00 54.44 N ATOM 480 CA LEU A 29 0.100 -6.694 3.054 1.00 22.12 C ATOM 481 C LEU A 29 -0.355 -7.491 1.828 1.00 31.45 C ATOM 482 O LEU A 29 -0.435 -8.722 1.868 1.00 74.15 O ATOM 483 CB LEU A 29 1.625 -6.855 3.322 1.00 25.21 C ATOM 484 CG LEU A 29 2.602 -6.354 2.172 1.00 34.34 C ATOM 485 CD1 LEU A 29 3.869 -5.687 2.751 1.00 31.44 C ATOM 486 CD2 LEU A 29 3.004 -7.501 1.207 1.00 4.02 C ATOM 0 H LEU A 29 -0.357 -8.013 4.627 1.00 54.44 H new ATOM 0 HA LEU A 29 -0.066 -5.632 2.873 1.00 22.12 H new ATOM 0 HB2 LEU A 29 1.870 -6.316 4.237 1.00 25.21 H new ATOM 0 HB3 LEU A 29 1.830 -7.909 3.509 1.00 25.21 H new ATOM 0 HG LEU A 29 2.046 -5.610 1.602 1.00 34.34 H new ATOM 0 HD11 LEU A 29 4.512 -5.358 1.935 1.00 31.44 H new ATOM 0 HD12 LEU A 29 3.583 -4.827 3.357 1.00 31.44 H new ATOM 0 HD13 LEU A 29 4.407 -6.405 3.370 1.00 31.44 H new ATOM 0 HD21 LEU A 29 3.672 -7.112 0.438 1.00 4.02 H new ATOM 0 HD22 LEU A 29 3.513 -8.286 1.767 1.00 4.02 H new ATOM 0 HD23 LEU A 29 2.110 -7.912 0.738 1.00 4.02 H new ATOM 498 N ARG A 30 -0.665 -6.767 0.753 1.00 65.44 N ATOM 499 CA ARG A 30 -1.160 -7.317 -0.507 1.00 40.45 C ATOM 500 C ARG A 30 -0.160 -6.876 -1.595 1.00 53.12 C ATOM 501 O ARG A 30 0.034 -5.663 -1.781 1.00 11.43 O ATOM 502 CB ARG A 30 -2.592 -6.744 -0.808 1.00 61.43 C ATOM 503 CG ARG A 30 -3.544 -6.581 0.412 1.00 74.33 C ATOM 504 CD ARG A 30 -4.038 -7.909 1.007 1.00 61.01 C ATOM 505 NE ARG A 30 -4.999 -8.596 0.125 1.00 64.33 N ATOM 506 CZ ARG A 30 -5.435 -9.858 0.285 1.00 40.11 C ATOM 507 NH1 ARG A 30 -5.011 -10.607 1.303 1.00 73.22 N ATOM 508 NH2 ARG A 30 -6.320 -10.359 -0.563 1.00 73.40 N ATOM 0 H ARG A 30 -0.576 -5.751 0.735 1.00 65.44 H new ATOM 0 HA ARG A 30 -1.240 -8.403 -0.470 1.00 40.45 H new ATOM 0 HB2 ARG A 30 -2.477 -5.770 -1.284 1.00 61.43 H new ATOM 0 HB3 ARG A 30 -3.076 -7.398 -1.534 1.00 61.43 H new ATOM 0 HG2 ARG A 30 -3.027 -6.017 1.189 1.00 74.33 H new ATOM 0 HG3 ARG A 30 -4.407 -5.988 0.109 1.00 74.33 H new ATOM 0 HD2 ARG A 30 -3.185 -8.562 1.189 1.00 61.01 H new ATOM 0 HD3 ARG A 30 -4.506 -7.720 1.973 1.00 61.01 H new ATOM 0 HE ARG A 30 -5.363 -8.072 -0.671 1.00 64.33 H new ATOM 0 HH11 ARG A 30 -4.346 -10.225 1.975 1.00 73.22 H new ATOM 0 HH12 ARG A 30 -5.352 -11.562 1.410 1.00 73.22 H new ATOM 0 HH21 ARG A 30 -6.668 -9.788 -1.333 1.00 73.40 H new ATOM 0 HH22 ARG A 30 -6.654 -11.316 -0.446 1.00 73.40 H new ATOM 522 N THR A 31 0.499 -7.826 -2.281 1.00 45.24 N ATOM 523 CA THR A 31 1.529 -7.488 -3.282 1.00 20.01 C ATOM 524 C THR A 31 0.885 -7.050 -4.616 1.00 31.54 C ATOM 525 O THR A 31 0.205 -7.835 -5.289 1.00 43.20 O ATOM 526 CB THR A 31 2.532 -8.669 -3.508 1.00 32.01 C ATOM 527 OG1 THR A 31 1.822 -9.886 -3.789 1.00 13.32 O ATOM 528 CG2 THR A 31 3.436 -8.878 -2.278 1.00 15.05 C ATOM 0 H THR A 31 0.340 -8.827 -2.163 1.00 45.24 H new ATOM 0 HA THR A 31 2.099 -6.647 -2.886 1.00 20.01 H new ATOM 0 HB THR A 31 3.158 -8.408 -4.361 1.00 32.01 H new ATOM 0 HG1 THR A 31 1.090 -9.701 -4.413 1.00 13.32 H new ATOM 0 HG21 THR A 31 4.121 -9.705 -2.466 1.00 15.05 H new ATOM 0 HG22 THR A 31 4.007 -7.969 -2.088 1.00 15.05 H new ATOM 0 HG23 THR A 31 2.820 -9.108 -1.409 1.00 15.05 H new ATOM 536 N VAL A 32 1.097 -5.770 -4.956 1.00 50.53 N ATOM 537 CA VAL A 32 0.610 -5.146 -6.197 1.00 23.42 C ATOM 538 C VAL A 32 1.751 -5.090 -7.229 1.00 1.05 C ATOM 539 O VAL A 32 2.917 -4.870 -6.879 1.00 41.11 O ATOM 540 CB VAL A 32 0.069 -3.697 -5.921 1.00 1.35 C ATOM 541 CG1 VAL A 32 -0.418 -3.011 -7.218 1.00 5.24 C ATOM 542 CG2 VAL A 32 -1.038 -3.721 -4.851 1.00 11.44 C ATOM 0 H VAL A 32 1.622 -5.126 -4.365 1.00 50.53 H new ATOM 0 HA VAL A 32 -0.209 -5.748 -6.589 1.00 23.42 H new ATOM 0 HB VAL A 32 0.898 -3.103 -5.537 1.00 1.35 H new ATOM 0 HG11 VAL A 32 -0.784 -2.011 -6.985 1.00 5.24 H new ATOM 0 HG12 VAL A 32 0.409 -2.939 -7.924 1.00 5.24 H new ATOM 0 HG13 VAL A 32 -1.223 -3.598 -7.660 1.00 5.24 H new ATOM 0 HG21 VAL A 32 -1.397 -2.707 -4.676 1.00 11.44 H new ATOM 0 HG22 VAL A 32 -1.863 -4.344 -5.195 1.00 11.44 H new ATOM 0 HG23 VAL A 32 -0.638 -4.129 -3.923 1.00 11.44 H new ATOM 552 N LYS A 33 1.391 -5.281 -8.508 1.00 3.33 N ATOM 553 CA LYS A 33 2.344 -5.378 -9.624 1.00 2.45 C ATOM 554 C LYS A 33 2.016 -4.301 -10.668 1.00 4.13 C ATOM 555 O LYS A 33 2.838 -3.423 -10.953 1.00 54.20 O ATOM 556 CB LYS A 33 2.249 -6.809 -10.222 1.00 21.44 C ATOM 557 CG LYS A 33 2.530 -7.927 -9.184 1.00 34.34 C ATOM 558 CD LYS A 33 2.003 -9.314 -9.609 1.00 13.54 C ATOM 559 CE LYS A 33 2.572 -9.806 -10.945 1.00 11.35 C ATOM 560 NZ LYS A 33 2.108 -11.182 -11.269 1.00 63.21 N ATOM 0 H LYS A 33 0.418 -5.373 -8.799 1.00 3.33 H new ATOM 0 HA LYS A 33 3.366 -5.208 -9.285 1.00 2.45 H new ATOM 0 HB2 LYS A 33 1.254 -6.955 -10.642 1.00 21.44 H new ATOM 0 HB3 LYS A 33 2.959 -6.900 -11.044 1.00 21.44 H new ATOM 0 HG2 LYS A 33 3.605 -7.992 -9.015 1.00 34.34 H new ATOM 0 HG3 LYS A 33 2.075 -7.651 -8.233 1.00 34.34 H new ATOM 0 HD2 LYS A 33 2.245 -10.039 -8.832 1.00 13.54 H new ATOM 0 HD3 LYS A 33 0.916 -9.274 -9.680 1.00 13.54 H new ATOM 0 HE2 LYS A 33 2.272 -9.124 -11.741 1.00 11.35 H new ATOM 0 HE3 LYS A 33 3.661 -9.790 -10.905 1.00 11.35 H new ATOM 0 HZ1 LYS A 33 2.514 -11.480 -12.179 1.00 63.21 H new ATOM 0 HZ2 LYS A 33 2.416 -11.837 -10.522 1.00 63.21 H new ATOM 0 HZ3 LYS A 33 1.070 -11.192 -11.333 1.00 63.21 H new ATOM 574 N THR A 34 0.787 -4.368 -11.201 1.00 73.53 N ATOM 575 CA THR A 34 0.265 -3.418 -12.201 1.00 14.22 C ATOM 576 C THR A 34 -0.844 -2.558 -11.578 1.00 23.03 C ATOM 577 O THR A 34 -1.260 -2.805 -10.433 1.00 30.40 O ATOM 578 CB THR A 34 -0.316 -4.197 -13.425 1.00 61.21 C ATOM 579 OG1 THR A 34 -1.310 -5.133 -12.966 1.00 75.13 O ATOM 580 CG2 THR A 34 0.783 -4.944 -14.198 1.00 24.31 C ATOM 0 H THR A 34 0.116 -5.093 -10.947 1.00 73.53 H new ATOM 0 HA THR A 34 1.081 -2.776 -12.532 1.00 14.22 H new ATOM 0 HB THR A 34 -0.766 -3.474 -14.105 1.00 61.21 H new ATOM 0 HG1 THR A 34 -1.677 -5.622 -13.732 1.00 75.13 H new ATOM 0 HG21 THR A 34 0.339 -5.473 -15.041 1.00 24.31 H new ATOM 0 HG22 THR A 34 1.520 -4.229 -14.565 1.00 24.31 H new ATOM 0 HG23 THR A 34 1.271 -5.660 -13.536 1.00 24.31 H new ATOM 588 N GLU A 35 -1.344 -1.561 -12.345 1.00 64.54 N ATOM 589 CA GLU A 35 -2.490 -0.733 -11.921 1.00 65.01 C ATOM 590 C GLU A 35 -3.733 -1.609 -11.689 1.00 33.15 C ATOM 591 O GLU A 35 -4.531 -1.331 -10.808 1.00 64.54 O ATOM 592 CB GLU A 35 -2.825 0.382 -12.960 1.00 53.21 C ATOM 593 CG GLU A 35 -3.298 -0.140 -14.343 1.00 72.50 C ATOM 594 CD GLU A 35 -4.056 0.911 -15.168 1.00 11.31 C ATOM 595 OE1 GLU A 35 -5.277 1.095 -14.937 1.00 3.05 O ATOM 596 OE2 GLU A 35 -3.441 1.567 -16.044 1.00 52.13 O ATOM 0 H GLU A 35 -0.969 -1.313 -13.261 1.00 64.54 H new ATOM 0 HA GLU A 35 -2.203 -0.249 -10.987 1.00 65.01 H new ATOM 0 HB2 GLU A 35 -3.601 1.025 -12.545 1.00 53.21 H new ATOM 0 HB3 GLU A 35 -1.941 1.003 -13.104 1.00 53.21 H new ATOM 0 HG2 GLU A 35 -2.431 -0.480 -14.910 1.00 72.50 H new ATOM 0 HG3 GLU A 35 -3.942 -1.007 -14.195 1.00 72.50 H new ATOM 603 N ASP A 36 -3.847 -2.692 -12.478 1.00 23.05 N ATOM 604 CA ASP A 36 -4.994 -3.611 -12.453 1.00 20.42 C ATOM 605 C ASP A 36 -4.999 -4.449 -11.168 1.00 53.44 C ATOM 606 O ASP A 36 -6.071 -4.809 -10.665 1.00 21.40 O ATOM 607 CB ASP A 36 -4.961 -4.519 -13.707 1.00 4.33 C ATOM 608 CG ASP A 36 -4.928 -3.721 -15.027 1.00 64.43 C ATOM 609 OD1 ASP A 36 -5.960 -3.111 -15.394 1.00 61.52 O ATOM 610 OD2 ASP A 36 -3.870 -3.694 -15.697 1.00 61.13 O ATOM 0 H ASP A 36 -3.135 -2.955 -13.159 1.00 23.05 H new ATOM 0 HA ASP A 36 -5.914 -3.026 -12.465 1.00 20.42 H new ATOM 0 HB2 ASP A 36 -4.085 -5.166 -13.658 1.00 4.33 H new ATOM 0 HB3 ASP A 36 -5.837 -5.168 -13.703 1.00 4.33 H new ATOM 615 N GLU A 37 -3.794 -4.746 -10.636 1.00 25.20 N ATOM 616 CA GLU A 37 -3.647 -5.381 -9.315 1.00 14.14 C ATOM 617 C GLU A 37 -4.081 -4.403 -8.210 1.00 3.31 C ATOM 618 O GLU A 37 -4.793 -4.780 -7.280 1.00 21.20 O ATOM 619 CB GLU A 37 -2.187 -5.837 -9.079 1.00 34.01 C ATOM 620 CG GLU A 37 -1.684 -6.925 -10.039 1.00 32.21 C ATOM 621 CD GLU A 37 -2.410 -8.278 -9.891 1.00 24.45 C ATOM 622 OE1 GLU A 37 -2.004 -9.094 -9.038 1.00 21.24 O ATOM 623 OE2 GLU A 37 -3.374 -8.543 -10.646 1.00 0.01 O ATOM 0 H GLU A 37 -2.909 -4.554 -11.105 1.00 25.20 H new ATOM 0 HA GLU A 37 -4.288 -6.262 -9.285 1.00 14.14 H new ATOM 0 HB2 GLU A 37 -1.533 -4.969 -9.163 1.00 34.01 H new ATOM 0 HB3 GLU A 37 -2.098 -6.206 -8.057 1.00 34.01 H new ATOM 0 HG2 GLU A 37 -1.800 -6.572 -11.064 1.00 32.21 H new ATOM 0 HG3 GLU A 37 -0.617 -7.077 -9.873 1.00 32.21 H new ATOM 630 N LEU A 38 -3.660 -3.136 -8.365 1.00 33.42 N ATOM 631 CA LEU A 38 -3.980 -2.045 -7.425 1.00 34.12 C ATOM 632 C LEU A 38 -5.517 -1.909 -7.317 1.00 42.00 C ATOM 633 O LEU A 38 -6.072 -1.899 -6.222 1.00 74.23 O ATOM 634 CB LEU A 38 -3.297 -0.725 -7.937 1.00 35.04 C ATOM 635 CG LEU A 38 -3.035 0.440 -6.912 1.00 23.31 C ATOM 636 CD1 LEU A 38 -4.322 1.176 -6.489 1.00 71.24 C ATOM 637 CD2 LEU A 38 -2.245 -0.063 -5.680 1.00 31.15 C ATOM 0 H LEU A 38 -3.084 -2.837 -9.152 1.00 33.42 H new ATOM 0 HA LEU A 38 -3.597 -2.255 -6.426 1.00 34.12 H new ATOM 0 HB2 LEU A 38 -2.338 -0.999 -8.377 1.00 35.04 H new ATOM 0 HB3 LEU A 38 -3.914 -0.324 -8.741 1.00 35.04 H new ATOM 0 HG LEU A 38 -2.422 1.174 -7.435 1.00 23.31 H new ATOM 0 HD11 LEU A 38 -4.073 1.967 -5.782 1.00 71.24 H new ATOM 0 HD12 LEU A 38 -4.798 1.611 -7.368 1.00 71.24 H new ATOM 0 HD13 LEU A 38 -5.006 0.471 -6.018 1.00 71.24 H new ATOM 0 HD21 LEU A 38 -2.080 0.765 -4.991 1.00 31.15 H new ATOM 0 HD22 LEU A 38 -2.814 -0.845 -5.178 1.00 31.15 H new ATOM 0 HD23 LEU A 38 -1.284 -0.463 -6.003 1.00 31.15 H new ATOM 649 N LYS A 39 -6.167 -1.919 -8.495 1.00 72.40 N ATOM 650 CA LYS A 39 -7.628 -1.807 -8.654 1.00 71.23 C ATOM 651 C LYS A 39 -8.359 -3.045 -8.112 1.00 51.34 C ATOM 652 O LYS A 39 -9.432 -2.904 -7.530 1.00 54.44 O ATOM 653 CB LYS A 39 -7.961 -1.600 -10.156 1.00 73.14 C ATOM 654 CG LYS A 39 -7.563 -0.204 -10.719 1.00 61.31 C ATOM 655 CD LYS A 39 -7.175 -0.241 -12.220 1.00 41.44 C ATOM 656 CE LYS A 39 -8.251 -0.858 -13.116 1.00 23.12 C ATOM 657 NZ LYS A 39 -7.795 -0.982 -14.527 1.00 11.20 N ATOM 0 H LYS A 39 -5.678 -2.008 -9.386 1.00 72.40 H new ATOM 0 HA LYS A 39 -7.972 -0.951 -8.074 1.00 71.23 H new ATOM 0 HB2 LYS A 39 -7.454 -2.370 -10.737 1.00 73.14 H new ATOM 0 HB3 LYS A 39 -9.032 -1.745 -10.301 1.00 73.14 H new ATOM 0 HG2 LYS A 39 -8.395 0.487 -10.582 1.00 61.31 H new ATOM 0 HG3 LYS A 39 -6.725 0.188 -10.143 1.00 61.31 H new ATOM 0 HD2 LYS A 39 -6.970 0.775 -12.559 1.00 41.44 H new ATOM 0 HD3 LYS A 39 -6.251 -0.807 -12.334 1.00 41.44 H new ATOM 0 HE2 LYS A 39 -8.521 -1.843 -12.734 1.00 23.12 H new ATOM 0 HE3 LYS A 39 -9.151 -0.244 -13.078 1.00 23.12 H new ATOM 0 HZ1 LYS A 39 -8.622 -1.057 -15.154 1.00 11.20 H new ATOM 0 HZ2 LYS A 39 -7.239 -0.143 -14.787 1.00 11.20 H new ATOM 0 HZ3 LYS A 39 -7.205 -1.833 -14.628 1.00 11.20 H new ATOM 671 N LYS A 40 -7.774 -4.244 -8.315 1.00 4.12 N ATOM 672 CA LYS A 40 -8.377 -5.522 -7.858 1.00 13.34 C ATOM 673 C LYS A 40 -8.527 -5.508 -6.325 1.00 4.22 C ATOM 674 O LYS A 40 -9.564 -5.904 -5.778 1.00 40.21 O ATOM 675 CB LYS A 40 -7.543 -6.764 -8.352 1.00 20.24 C ATOM 676 CG LYS A 40 -6.565 -7.401 -7.324 1.00 12.31 C ATOM 677 CD LYS A 40 -5.571 -8.408 -7.938 1.00 53.14 C ATOM 678 CE LYS A 40 -6.242 -9.573 -8.679 1.00 63.02 C ATOM 679 NZ LYS A 40 -5.232 -10.481 -9.287 1.00 53.54 N ATOM 0 H LYS A 40 -6.881 -4.358 -8.794 1.00 4.12 H new ATOM 0 HA LYS A 40 -9.369 -5.618 -8.300 1.00 13.34 H new ATOM 0 HB2 LYS A 40 -8.241 -7.534 -8.680 1.00 20.24 H new ATOM 0 HB3 LYS A 40 -6.968 -6.462 -9.227 1.00 20.24 H new ATOM 0 HG2 LYS A 40 -6.003 -6.606 -6.833 1.00 12.31 H new ATOM 0 HG3 LYS A 40 -7.145 -7.905 -6.551 1.00 12.31 H new ATOM 0 HD2 LYS A 40 -4.915 -7.880 -8.630 1.00 53.14 H new ATOM 0 HD3 LYS A 40 -4.940 -8.810 -7.145 1.00 53.14 H new ATOM 0 HE2 LYS A 40 -6.869 -10.135 -7.986 1.00 63.02 H new ATOM 0 HE3 LYS A 40 -6.898 -9.182 -9.457 1.00 63.02 H new ATOM 0 HZ1 LYS A 40 -5.701 -11.124 -9.957 1.00 53.54 H new ATOM 0 HZ2 LYS A 40 -4.517 -9.918 -9.791 1.00 53.54 H new ATOM 0 HZ3 LYS A 40 -4.770 -11.037 -8.539 1.00 53.54 H new ATOM 693 N TYR A 41 -7.484 -4.996 -5.654 1.00 54.22 N ATOM 694 CA TYR A 41 -7.464 -4.893 -4.197 1.00 12.20 C ATOM 695 C TYR A 41 -8.394 -3.766 -3.726 1.00 0.42 C ATOM 696 O TYR A 41 -9.038 -3.904 -2.695 1.00 24.44 O ATOM 697 CB TYR A 41 -6.025 -4.713 -3.675 1.00 51.11 C ATOM 698 CG TYR A 41 -5.133 -5.953 -3.896 1.00 43.04 C ATOM 699 CD1 TYR A 41 -5.512 -7.203 -3.397 1.00 53.13 C ATOM 700 CD2 TYR A 41 -3.924 -5.880 -4.592 1.00 63.20 C ATOM 701 CE1 TYR A 41 -4.726 -8.321 -3.589 1.00 21.14 C ATOM 702 CE2 TYR A 41 -3.136 -7.000 -4.786 1.00 0.44 C ATOM 703 CZ TYR A 41 -3.542 -8.215 -4.281 1.00 5.14 C ATOM 704 OH TYR A 41 -2.766 -9.330 -4.467 1.00 45.33 O ATOM 0 H TYR A 41 -6.640 -4.646 -6.107 1.00 54.22 H new ATOM 0 HA TYR A 41 -7.840 -5.826 -3.776 1.00 12.20 H new ATOM 0 HB2 TYR A 41 -5.571 -3.855 -4.171 1.00 51.11 H new ATOM 0 HB3 TYR A 41 -6.059 -4.484 -2.610 1.00 51.11 H new ATOM 0 HD1 TYR A 41 -6.439 -7.295 -2.850 1.00 53.13 H new ATOM 0 HD2 TYR A 41 -3.598 -4.929 -4.987 1.00 63.20 H new ATOM 0 HE1 TYR A 41 -5.040 -9.277 -3.197 1.00 21.14 H new ATOM 0 HE2 TYR A 41 -2.207 -6.922 -5.331 1.00 0.44 H new ATOM 0 HH TYR A 41 -1.964 -9.089 -4.976 1.00 45.33 H new ATOM 714 N LEU A 42 -8.480 -2.670 -4.505 1.00 73.40 N ATOM 715 CA LEU A 42 -9.419 -1.566 -4.225 1.00 1.33 C ATOM 716 C LEU A 42 -10.887 -2.078 -4.210 1.00 52.20 C ATOM 717 O LEU A 42 -11.614 -1.802 -3.267 1.00 33.21 O ATOM 718 CB LEU A 42 -9.258 -0.408 -5.248 1.00 23.54 C ATOM 719 CG LEU A 42 -7.917 0.397 -5.202 1.00 33.24 C ATOM 720 CD1 LEU A 42 -7.870 1.454 -6.329 1.00 34.03 C ATOM 721 CD2 LEU A 42 -7.667 1.041 -3.819 1.00 61.30 C ATOM 0 H LEU A 42 -7.908 -2.525 -5.337 1.00 73.40 H new ATOM 0 HA LEU A 42 -9.178 -1.175 -3.237 1.00 1.33 H new ATOM 0 HB2 LEU A 42 -9.370 -0.823 -6.250 1.00 23.54 H new ATOM 0 HB3 LEU A 42 -10.079 0.293 -5.099 1.00 23.54 H new ATOM 0 HG LEU A 42 -7.109 -0.315 -5.368 1.00 33.24 H new ATOM 0 HD11 LEU A 42 -6.928 2.001 -6.276 1.00 34.03 H new ATOM 0 HD12 LEU A 42 -7.948 0.958 -7.296 1.00 34.03 H new ATOM 0 HD13 LEU A 42 -8.701 2.150 -6.210 1.00 34.03 H new ATOM 0 HD21 LEU A 42 -6.725 1.588 -3.838 1.00 61.30 H new ATOM 0 HD22 LEU A 42 -8.481 1.727 -3.585 1.00 61.30 H new ATOM 0 HD23 LEU A 42 -7.619 0.262 -3.058 1.00 61.30 H new ATOM 733 N GLU A 43 -11.276 -2.866 -5.236 1.00 22.21 N ATOM 734 CA GLU A 43 -12.634 -3.480 -5.342 1.00 10.23 C ATOM 735 C GLU A 43 -12.936 -4.362 -4.108 1.00 52.30 C ATOM 736 O GLU A 43 -14.039 -4.323 -3.533 1.00 61.30 O ATOM 737 CB GLU A 43 -12.736 -4.355 -6.620 1.00 3.34 C ATOM 738 CG GLU A 43 -12.590 -3.603 -7.954 1.00 34.23 C ATOM 739 CD GLU A 43 -12.612 -4.564 -9.160 1.00 1.53 C ATOM 740 OE1 GLU A 43 -11.535 -5.089 -9.535 1.00 24.23 O ATOM 741 OE2 GLU A 43 -13.710 -4.837 -9.700 1.00 43.03 O ATOM 0 H GLU A 43 -10.664 -3.099 -6.018 1.00 22.21 H new ATOM 0 HA GLU A 43 -13.361 -2.669 -5.393 1.00 10.23 H new ATOM 0 HB2 GLU A 43 -11.968 -5.127 -6.573 1.00 3.34 H new ATOM 0 HB3 GLU A 43 -13.700 -4.864 -6.614 1.00 3.34 H new ATOM 0 HG2 GLU A 43 -13.398 -2.878 -8.053 1.00 34.23 H new ATOM 0 HG3 GLU A 43 -11.656 -3.041 -7.954 1.00 34.23 H new ATOM 748 N GLU A 44 -11.905 -5.129 -3.732 1.00 34.44 N ATOM 749 CA GLU A 44 -11.876 -6.005 -2.549 1.00 65.34 C ATOM 750 C GLU A 44 -12.114 -5.200 -1.246 1.00 74.54 C ATOM 751 O GLU A 44 -12.727 -5.698 -0.293 1.00 43.20 O ATOM 752 CB GLU A 44 -10.494 -6.731 -2.557 1.00 32.30 C ATOM 753 CG GLU A 44 -10.102 -7.486 -1.285 1.00 2.14 C ATOM 754 CD GLU A 44 -8.727 -8.166 -1.403 1.00 41.31 C ATOM 755 OE1 GLU A 44 -8.659 -9.287 -1.945 1.00 60.01 O ATOM 756 OE2 GLU A 44 -7.714 -7.579 -0.967 1.00 30.15 O ATOM 0 H GLU A 44 -11.034 -5.159 -4.262 1.00 34.44 H new ATOM 0 HA GLU A 44 -12.681 -6.739 -2.585 1.00 65.34 H new ATOM 0 HB2 GLU A 44 -10.487 -7.438 -3.387 1.00 32.30 H new ATOM 0 HB3 GLU A 44 -9.722 -5.989 -2.763 1.00 32.30 H new ATOM 0 HG2 GLU A 44 -10.090 -6.793 -0.444 1.00 2.14 H new ATOM 0 HG3 GLU A 44 -10.859 -8.239 -1.066 1.00 2.14 H new ATOM 763 N PHE A 45 -11.614 -3.951 -1.216 1.00 42.53 N ATOM 764 CA PHE A 45 -11.791 -3.043 -0.061 1.00 43.33 C ATOM 765 C PHE A 45 -13.124 -2.270 -0.127 1.00 0.24 C ATOM 766 O PHE A 45 -13.646 -1.865 0.913 1.00 23.15 O ATOM 767 CB PHE A 45 -10.593 -2.056 0.030 1.00 60.12 C ATOM 768 CG PHE A 45 -9.211 -2.727 0.083 1.00 61.33 C ATOM 769 CD1 PHE A 45 -9.043 -4.024 0.588 1.00 53.14 C ATOM 770 CD2 PHE A 45 -8.087 -2.074 -0.414 1.00 44.43 C ATOM 771 CE1 PHE A 45 -7.801 -4.630 0.597 1.00 3.31 C ATOM 772 CE2 PHE A 45 -6.847 -2.685 -0.401 1.00 34.11 C ATOM 773 CZ PHE A 45 -6.706 -3.963 0.099 1.00 72.02 C ATOM 0 H PHE A 45 -11.080 -3.543 -1.983 1.00 42.53 H new ATOM 0 HA PHE A 45 -11.821 -3.658 0.839 1.00 43.33 H new ATOM 0 HB2 PHE A 45 -10.624 -1.387 -0.830 1.00 60.12 H new ATOM 0 HB3 PHE A 45 -10.716 -1.438 0.919 1.00 60.12 H new ATOM 0 HD1 PHE A 45 -9.898 -4.558 0.976 1.00 53.14 H new ATOM 0 HD2 PHE A 45 -8.185 -1.076 -0.815 1.00 44.43 H new ATOM 0 HE1 PHE A 45 -7.690 -5.628 0.995 1.00 3.31 H new ATOM 0 HE2 PHE A 45 -5.985 -2.159 -0.784 1.00 34.11 H new ATOM 0 HZ PHE A 45 -5.737 -4.439 0.099 1.00 72.02 H new ATOM 783 N ARG A 46 -13.666 -2.071 -1.349 1.00 33.32 N ATOM 784 CA ARG A 46 -14.918 -1.298 -1.559 1.00 3.25 C ATOM 785 C ARG A 46 -16.132 -2.041 -0.995 1.00 62.12 C ATOM 786 O ARG A 46 -17.026 -1.429 -0.403 1.00 33.51 O ATOM 787 CB ARG A 46 -15.184 -1.018 -3.060 1.00 1.00 C ATOM 788 CG ARG A 46 -14.184 -0.089 -3.749 1.00 74.12 C ATOM 789 CD ARG A 46 -14.636 0.304 -5.163 1.00 74.34 C ATOM 790 NE ARG A 46 -15.872 1.114 -5.149 1.00 4.20 N ATOM 791 CZ ARG A 46 -16.311 1.895 -6.154 1.00 55.21 C ATOM 792 NH1 ARG A 46 -15.623 1.998 -7.295 1.00 54.23 N ATOM 793 NH2 ARG A 46 -17.449 2.561 -6.007 1.00 12.33 N ATOM 0 H ARG A 46 -13.257 -2.435 -2.210 1.00 33.32 H new ATOM 0 HA ARG A 46 -14.778 -0.353 -1.034 1.00 3.25 H new ATOM 0 HB2 ARG A 46 -15.194 -1.969 -3.592 1.00 1.00 H new ATOM 0 HB3 ARG A 46 -16.180 -0.587 -3.159 1.00 1.00 H new ATOM 0 HG2 ARG A 46 -14.053 0.811 -3.148 1.00 74.12 H new ATOM 0 HG3 ARG A 46 -13.212 -0.580 -3.803 1.00 74.12 H new ATOM 0 HD2 ARG A 46 -13.841 0.866 -5.654 1.00 74.34 H new ATOM 0 HD3 ARG A 46 -14.801 -0.597 -5.754 1.00 74.34 H new ATOM 0 HE ARG A 46 -16.442 1.078 -4.304 1.00 4.20 H new ATOM 0 HH11 ARG A 46 -14.752 1.481 -7.414 1.00 54.23 H new ATOM 0 HH12 ARG A 46 -15.969 2.594 -8.047 1.00 54.23 H new ATOM 0 HH21 ARG A 46 -17.980 2.478 -5.140 1.00 12.33 H new ATOM 0 HH22 ARG A 46 -17.793 3.156 -6.761 1.00 12.33 H new ATOM 807 N LYS A 47 -16.150 -3.366 -1.197 1.00 4.34 N ATOM 808 CA LYS A 47 -17.274 -4.232 -0.776 1.00 62.24 C ATOM 809 C LYS A 47 -17.439 -4.254 0.760 1.00 31.43 C ATOM 810 O LYS A 47 -18.479 -4.677 1.274 1.00 1.04 O ATOM 811 CB LYS A 47 -17.078 -5.670 -1.333 1.00 10.13 C ATOM 812 CG LYS A 47 -15.835 -6.424 -0.798 1.00 42.12 C ATOM 813 CD LYS A 47 -15.651 -7.848 -1.396 1.00 25.24 C ATOM 814 CE LYS A 47 -16.673 -8.899 -0.889 1.00 25.03 C ATOM 815 NZ LYS A 47 -18.069 -8.666 -1.365 1.00 63.02 N ATOM 0 H LYS A 47 -15.391 -3.872 -1.655 1.00 4.34 H new ATOM 0 HA LYS A 47 -18.192 -3.815 -1.190 1.00 62.24 H new ATOM 0 HB2 LYS A 47 -17.967 -6.257 -1.099 1.00 10.13 H new ATOM 0 HB3 LYS A 47 -17.009 -5.615 -2.419 1.00 10.13 H new ATOM 0 HG2 LYS A 47 -14.945 -5.833 -1.013 1.00 42.12 H new ATOM 0 HG3 LYS A 47 -15.910 -6.504 0.286 1.00 42.12 H new ATOM 0 HD2 LYS A 47 -15.724 -7.784 -2.482 1.00 25.24 H new ATOM 0 HD3 LYS A 47 -14.645 -8.198 -1.164 1.00 25.24 H new ATOM 0 HE2 LYS A 47 -16.351 -9.889 -1.211 1.00 25.03 H new ATOM 0 HE3 LYS A 47 -16.667 -8.901 0.201 1.00 25.03 H new ATOM 0 HZ1 LYS A 47 -18.486 -9.568 -1.672 1.00 63.02 H new ATOM 0 HZ2 LYS A 47 -18.638 -8.267 -0.591 1.00 63.02 H new ATOM 0 HZ3 LYS A 47 -18.057 -8.000 -2.164 1.00 63.02 H new ATOM 829 N GLU A 48 -16.408 -3.764 1.469 1.00 65.22 N ATOM 830 CA GLU A 48 -16.365 -3.713 2.934 1.00 61.30 C ATOM 831 C GLU A 48 -15.804 -2.358 3.400 1.00 23.15 C ATOM 832 O GLU A 48 -15.219 -2.271 4.487 1.00 44.24 O ATOM 833 CB GLU A 48 -15.490 -4.885 3.451 1.00 11.31 C ATOM 834 CG GLU A 48 -14.035 -4.872 2.919 1.00 20.11 C ATOM 835 CD GLU A 48 -13.216 -6.079 3.378 1.00 34.23 C ATOM 836 OE1 GLU A 48 -13.281 -7.138 2.716 1.00 51.23 O ATOM 837 OE2 GLU A 48 -12.517 -5.989 4.409 1.00 10.55 O ATOM 0 H GLU A 48 -15.569 -3.387 1.029 1.00 65.22 H new ATOM 0 HA GLU A 48 -17.371 -3.814 3.340 1.00 61.30 H new ATOM 0 HB2 GLU A 48 -15.467 -4.854 4.540 1.00 11.31 H new ATOM 0 HB3 GLU A 48 -15.960 -5.827 3.169 1.00 11.31 H new ATOM 0 HG2 GLU A 48 -14.053 -4.846 1.829 1.00 20.11 H new ATOM 0 HG3 GLU A 48 -13.542 -3.959 3.251 1.00 20.11 H new ATOM 844 N SER A 49 -16.015 -1.297 2.584 1.00 35.24 N ATOM 845 CA SER A 49 -15.500 0.055 2.881 1.00 44.03 C ATOM 846 C SER A 49 -16.216 0.681 4.104 1.00 32.15 C ATOM 847 O SER A 49 -17.208 1.417 3.984 1.00 4.12 O ATOM 848 CB SER A 49 -15.584 0.967 1.640 1.00 52.25 C ATOM 849 OG SER A 49 -16.899 1.001 1.106 1.00 44.04 O ATOM 0 H SER A 49 -16.541 -1.356 1.712 1.00 35.24 H new ATOM 0 HA SER A 49 -14.447 -0.042 3.144 1.00 44.03 H new ATOM 0 HB2 SER A 49 -15.273 1.977 1.908 1.00 52.25 H new ATOM 0 HB3 SER A 49 -14.890 0.611 0.878 1.00 52.25 H new ATOM 0 HG SER A 49 -17.046 0.209 0.548 1.00 44.04 H new ATOM 855 N GLN A 50 -15.685 0.295 5.265 1.00 51.21 N ATOM 856 CA GLN A 50 -16.064 0.754 6.602 1.00 5.20 C ATOM 857 C GLN A 50 -14.984 0.256 7.567 1.00 14.42 C ATOM 858 O GLN A 50 -14.397 -0.804 7.324 1.00 73.32 O ATOM 859 CB GLN A 50 -17.492 0.270 7.028 1.00 22.42 C ATOM 860 CG GLN A 50 -17.831 -1.232 6.802 1.00 14.44 C ATOM 861 CD GLN A 50 -17.187 -2.223 7.785 1.00 74.41 C ATOM 862 OE1 GLN A 50 -17.714 -2.476 8.866 1.00 4.34 O ATOM 863 NE2 GLN A 50 -16.073 -2.814 7.410 1.00 12.32 N ATOM 0 H GLN A 50 -14.930 -0.390 5.299 1.00 51.21 H new ATOM 0 HA GLN A 50 -16.125 1.842 6.615 1.00 5.20 H new ATOM 0 HB2 GLN A 50 -17.621 0.490 8.088 1.00 22.42 H new ATOM 0 HB3 GLN A 50 -18.226 0.867 6.487 1.00 22.42 H new ATOM 0 HG2 GLN A 50 -18.913 -1.351 6.853 1.00 14.44 H new ATOM 0 HG3 GLN A 50 -17.528 -1.504 5.791 1.00 14.44 H new ATOM 0 HE21 GLN A 50 -15.654 -2.588 6.508 1.00 12.32 H new ATOM 0 HE22 GLN A 50 -15.628 -3.499 8.021 1.00 12.32 H new ATOM 872 N ASN A 51 -14.680 1.046 8.605 1.00 21.43 N ATOM 873 CA ASN A 51 -13.665 0.696 9.643 1.00 22.05 C ATOM 874 C ASN A 51 -12.306 0.366 8.983 1.00 53.11 C ATOM 875 O ASN A 51 -11.526 -0.438 9.500 1.00 43.10 O ATOM 876 CB ASN A 51 -14.181 -0.480 10.527 1.00 2.22 C ATOM 877 CG ASN A 51 -15.525 -0.183 11.204 1.00 70.32 C ATOM 878 OD1 ASN A 51 -15.824 0.960 11.553 1.00 11.22 O ATOM 879 ND2 ASN A 51 -16.346 -1.205 11.392 1.00 41.52 N ATOM 0 H ASN A 51 -15.124 1.951 8.761 1.00 21.43 H new ATOM 0 HA ASN A 51 -13.510 1.556 10.294 1.00 22.05 H new ATOM 0 HB2 ASN A 51 -14.282 -1.373 9.910 1.00 2.22 H new ATOM 0 HB3 ASN A 51 -13.438 -0.704 11.292 1.00 2.22 H new ATOM 0 HD21 ASN A 51 -17.252 -1.056 11.836 1.00 41.52 H new ATOM 0 HD22 ASN A 51 -16.072 -2.141 11.093 1.00 41.52 H new ATOM 886 N ILE A 52 -12.031 1.031 7.843 1.00 11.13 N ATOM 887 CA ILE A 52 -10.951 0.655 6.929 1.00 72.41 C ATOM 888 C ILE A 52 -10.090 1.872 6.529 1.00 40.55 C ATOM 889 O ILE A 52 -10.581 3.001 6.406 1.00 53.22 O ATOM 890 CB ILE A 52 -11.561 -0.028 5.644 1.00 11.12 C ATOM 891 CG1 ILE A 52 -10.466 -0.702 4.760 1.00 61.32 C ATOM 892 CG2 ILE A 52 -12.396 0.983 4.815 1.00 24.41 C ATOM 893 CD1 ILE A 52 -11.022 -1.508 3.599 1.00 1.11 C ATOM 0 H ILE A 52 -12.559 1.848 7.535 1.00 11.13 H new ATOM 0 HA ILE A 52 -10.299 -0.050 7.446 1.00 72.41 H new ATOM 0 HB ILE A 52 -12.227 -0.818 5.991 1.00 11.12 H new ATOM 0 HG12 ILE A 52 -9.803 0.070 4.369 1.00 61.32 H new ATOM 0 HG13 ILE A 52 -9.859 -1.356 5.386 1.00 61.32 H new ATOM 0 HG21 ILE A 52 -12.804 0.484 3.936 1.00 24.41 H new ATOM 0 HG22 ILE A 52 -13.213 1.367 5.426 1.00 24.41 H new ATOM 0 HG23 ILE A 52 -11.759 1.809 4.500 1.00 24.41 H new ATOM 0 HD11 ILE A 52 -10.200 -1.945 3.032 1.00 1.11 H new ATOM 0 HD12 ILE A 52 -11.662 -2.303 3.982 1.00 1.11 H new ATOM 0 HD13 ILE A 52 -11.604 -0.855 2.949 1.00 1.11 H new ATOM 905 N LYS A 53 -8.791 1.603 6.358 1.00 2.14 N ATOM 906 CA LYS A 53 -7.819 2.519 5.743 1.00 51.45 C ATOM 907 C LYS A 53 -6.854 1.677 4.892 1.00 44.54 C ATOM 908 O LYS A 53 -6.591 0.502 5.215 1.00 3.21 O ATOM 909 CB LYS A 53 -7.005 3.312 6.810 1.00 11.00 C ATOM 910 CG LYS A 53 -7.805 4.324 7.653 1.00 34.43 C ATOM 911 CD LYS A 53 -6.932 5.002 8.736 1.00 64.33 C ATOM 912 CE LYS A 53 -7.729 5.989 9.606 1.00 71.43 C ATOM 913 NZ LYS A 53 -6.909 6.518 10.732 1.00 14.23 N ATOM 0 H LYS A 53 -8.374 0.719 6.651 1.00 2.14 H new ATOM 0 HA LYS A 53 -8.357 3.248 5.138 1.00 51.45 H new ATOM 0 HB2 LYS A 53 -6.535 2.597 7.485 1.00 11.00 H new ATOM 0 HB3 LYS A 53 -6.202 3.846 6.303 1.00 11.00 H new ATOM 0 HG2 LYS A 53 -8.226 5.087 6.998 1.00 34.43 H new ATOM 0 HG3 LYS A 53 -8.643 3.815 8.130 1.00 34.43 H new ATOM 0 HD2 LYS A 53 -6.491 4.236 9.374 1.00 64.33 H new ATOM 0 HD3 LYS A 53 -6.108 5.530 8.255 1.00 64.33 H new ATOM 0 HE2 LYS A 53 -8.078 6.817 8.990 1.00 71.43 H new ATOM 0 HE3 LYS A 53 -8.614 5.492 10.003 1.00 71.43 H new ATOM 0 HZ1 LYS A 53 -7.480 7.180 11.296 1.00 14.23 H new ATOM 0 HZ2 LYS A 53 -6.597 5.730 11.334 1.00 14.23 H new ATOM 0 HZ3 LYS A 53 -6.078 7.014 10.353 1.00 14.23 H new ATOM 927 N VAL A 54 -6.334 2.273 3.808 1.00 50.31 N ATOM 928 CA VAL A 54 -5.350 1.624 2.911 1.00 15.41 C ATOM 929 C VAL A 54 -4.065 2.477 2.825 1.00 64.01 C ATOM 930 O VAL A 54 -4.138 3.691 2.781 1.00 72.42 O ATOM 931 CB VAL A 54 -5.966 1.412 1.476 1.00 51.32 C ATOM 932 CG1 VAL A 54 -4.979 0.703 0.519 1.00 64.44 C ATOM 933 CG2 VAL A 54 -7.308 0.646 1.570 1.00 52.04 C ATOM 0 H VAL A 54 -6.581 3.221 3.523 1.00 50.31 H new ATOM 0 HA VAL A 54 -5.095 0.647 3.323 1.00 15.41 H new ATOM 0 HB VAL A 54 -6.161 2.397 1.052 1.00 51.32 H new ATOM 0 HG11 VAL A 54 -5.446 0.578 -0.458 1.00 64.44 H new ATOM 0 HG12 VAL A 54 -4.076 1.305 0.415 1.00 64.44 H new ATOM 0 HG13 VAL A 54 -4.718 -0.275 0.924 1.00 64.44 H new ATOM 0 HG21 VAL A 54 -7.719 0.508 0.570 1.00 52.04 H new ATOM 0 HG22 VAL A 54 -7.140 -0.328 2.030 1.00 52.04 H new ATOM 0 HG23 VAL A 54 -8.011 1.217 2.176 1.00 52.04 H new ATOM 943 N LEU A 55 -2.897 1.820 2.855 1.00 5.55 N ATOM 944 CA LEU A 55 -1.573 2.453 2.696 1.00 54.21 C ATOM 945 C LEU A 55 -0.912 1.907 1.427 1.00 15.05 C ATOM 946 O LEU A 55 -0.500 0.750 1.405 1.00 22.25 O ATOM 947 CB LEU A 55 -0.696 2.117 3.932 1.00 71.13 C ATOM 948 CG LEU A 55 0.801 2.564 3.884 1.00 42.14 C ATOM 949 CD1 LEU A 55 0.969 4.093 3.967 1.00 51.10 C ATOM 950 CD2 LEU A 55 1.621 1.844 4.969 1.00 64.54 C ATOM 0 H LEU A 55 -2.841 0.811 2.993 1.00 5.55 H new ATOM 0 HA LEU A 55 -1.681 3.535 2.615 1.00 54.21 H new ATOM 0 HB2 LEU A 55 -1.157 2.572 4.808 1.00 71.13 H new ATOM 0 HB3 LEU A 55 -0.722 1.038 4.083 1.00 71.13 H new ATOM 0 HG LEU A 55 1.191 2.269 2.910 1.00 42.14 H new ATOM 0 HD11 LEU A 55 2.029 4.345 3.929 1.00 51.10 H new ATOM 0 HD12 LEU A 55 0.454 4.562 3.128 1.00 51.10 H new ATOM 0 HD13 LEU A 55 0.543 4.456 4.902 1.00 51.10 H new ATOM 0 HD21 LEU A 55 2.660 2.171 4.917 1.00 64.54 H new ATOM 0 HD22 LEU A 55 1.214 2.084 5.951 1.00 64.54 H new ATOM 0 HD23 LEU A 55 1.571 0.767 4.808 1.00 64.54 H new ATOM 962 N ILE A 56 -0.805 2.726 0.378 1.00 42.42 N ATOM 963 CA ILE A 56 -0.185 2.296 -0.885 1.00 41.44 C ATOM 964 C ILE A 56 1.262 2.814 -0.936 1.00 0.11 C ATOM 965 O ILE A 56 1.476 4.021 -1.018 1.00 42.01 O ATOM 966 CB ILE A 56 -0.990 2.786 -2.156 1.00 63.32 C ATOM 967 CG1 ILE A 56 -2.457 2.253 -2.110 1.00 15.23 C ATOM 968 CG2 ILE A 56 -0.284 2.336 -3.467 1.00 35.14 C ATOM 969 CD1 ILE A 56 -3.354 2.723 -3.246 1.00 4.42 C ATOM 0 H ILE A 56 -1.138 3.690 0.375 1.00 42.42 H new ATOM 0 HA ILE A 56 -0.198 1.206 -0.911 1.00 41.44 H new ATOM 0 HB ILE A 56 -1.017 3.876 -2.144 1.00 63.32 H new ATOM 0 HG12 ILE A 56 -2.431 1.163 -2.116 1.00 15.23 H new ATOM 0 HG13 ILE A 56 -2.907 2.556 -1.164 1.00 15.23 H new ATOM 0 HG21 ILE A 56 -0.856 2.685 -4.327 1.00 35.14 H new ATOM 0 HG22 ILE A 56 0.720 2.759 -3.503 1.00 35.14 H new ATOM 0 HG23 ILE A 56 -0.220 1.248 -3.491 1.00 35.14 H new ATOM 0 HD11 ILE A 56 -4.350 2.298 -3.123 1.00 4.42 H new ATOM 0 HD12 ILE A 56 -3.419 3.811 -3.232 1.00 4.42 H new ATOM 0 HD13 ILE A 56 -2.936 2.397 -4.198 1.00 4.42 H new ATOM 981 N LEU A 57 2.245 1.892 -0.867 1.00 41.31 N ATOM 982 CA LEU A 57 3.659 2.227 -1.100 1.00 75.31 C ATOM 983 C LEU A 57 3.927 1.959 -2.578 1.00 71.43 C ATOM 984 O LEU A 57 3.850 0.817 -3.009 1.00 51.02 O ATOM 985 CB LEU A 57 4.648 1.374 -0.236 1.00 44.41 C ATOM 986 CG LEU A 57 4.568 1.513 1.324 1.00 33.35 C ATOM 987 CD1 LEU A 57 4.559 2.985 1.775 1.00 11.30 C ATOM 988 CD2 LEU A 57 3.380 0.735 1.913 1.00 23.10 C ATOM 0 H LEU A 57 2.081 0.909 -0.651 1.00 41.31 H new ATOM 0 HA LEU A 57 3.827 3.266 -0.817 1.00 75.31 H new ATOM 0 HB2 LEU A 57 4.491 0.325 -0.487 1.00 44.41 H new ATOM 0 HB3 LEU A 57 5.663 1.627 -0.543 1.00 44.41 H new ATOM 0 HG LEU A 57 5.477 1.062 1.722 1.00 33.35 H new ATOM 0 HD11 LEU A 57 4.503 3.032 2.863 1.00 11.30 H new ATOM 0 HD12 LEU A 57 5.472 3.475 1.437 1.00 11.30 H new ATOM 0 HD13 LEU A 57 3.695 3.492 1.345 1.00 11.30 H new ATOM 0 HD21 LEU A 57 3.364 0.860 2.996 1.00 23.10 H new ATOM 0 HD22 LEU A 57 2.450 1.116 1.490 1.00 23.10 H new ATOM 0 HD23 LEU A 57 3.482 -0.323 1.671 1.00 23.10 H new ATOM 1000 N VAL A 58 4.203 3.007 -3.346 1.00 24.40 N ATOM 1001 CA VAL A 58 4.525 2.891 -4.775 1.00 30.21 C ATOM 1002 C VAL A 58 6.043 2.977 -4.967 1.00 20.35 C ATOM 1003 O VAL A 58 6.768 3.360 -4.045 1.00 52.22 O ATOM 1004 CB VAL A 58 3.821 4.018 -5.613 1.00 5.33 C ATOM 1005 CG1 VAL A 58 2.291 4.001 -5.419 1.00 23.24 C ATOM 1006 CG2 VAL A 58 4.395 5.410 -5.282 1.00 33.32 C ATOM 0 H VAL A 58 4.211 3.966 -3.000 1.00 24.40 H new ATOM 0 HA VAL A 58 4.160 1.927 -5.130 1.00 30.21 H new ATOM 0 HB VAL A 58 4.027 3.808 -6.663 1.00 5.33 H new ATOM 0 HG11 VAL A 58 1.840 4.795 -6.014 1.00 23.24 H new ATOM 0 HG12 VAL A 58 1.894 3.037 -5.739 1.00 23.24 H new ATOM 0 HG13 VAL A 58 2.056 4.159 -4.366 1.00 23.24 H new ATOM 0 HG21 VAL A 58 3.885 6.165 -5.880 1.00 33.32 H new ATOM 0 HG22 VAL A 58 4.245 5.623 -4.224 1.00 33.32 H new ATOM 0 HG23 VAL A 58 5.461 5.427 -5.508 1.00 33.32 H new ATOM 1016 N SER A 59 6.515 2.625 -6.166 1.00 14.22 N ATOM 1017 CA SER A 59 7.926 2.792 -6.539 1.00 12.24 C ATOM 1018 C SER A 59 8.149 4.185 -7.163 1.00 54.15 C ATOM 1019 O SER A 59 9.040 4.933 -6.748 1.00 22.11 O ATOM 1020 CB SER A 59 8.350 1.667 -7.521 1.00 34.14 C ATOM 1021 OG SER A 59 9.732 1.742 -7.859 1.00 74.32 O ATOM 0 H SER A 59 5.937 2.219 -6.902 1.00 14.22 H new ATOM 0 HA SER A 59 8.545 2.718 -5.645 1.00 12.24 H new ATOM 0 HB2 SER A 59 8.139 0.696 -7.072 1.00 34.14 H new ATOM 0 HB3 SER A 59 7.751 1.735 -8.429 1.00 34.14 H new ATOM 0 HG SER A 59 9.958 1.016 -8.477 1.00 74.32 H new ATOM 1027 N ASN A 60 7.294 4.544 -8.140 1.00 23.45 N ATOM 1028 CA ASN A 60 7.486 5.743 -8.991 1.00 31.44 C ATOM 1029 C ASN A 60 6.421 6.818 -8.706 1.00 3.14 C ATOM 1030 O ASN A 60 5.346 6.509 -8.191 1.00 61.03 O ATOM 1031 CB ASN A 60 7.426 5.322 -10.482 1.00 22.12 C ATOM 1032 CG ASN A 60 8.481 4.276 -10.865 1.00 23.40 C ATOM 1033 OD1 ASN A 60 9.587 4.264 -10.323 1.00 44.25 O ATOM 1034 ND2 ASN A 60 8.145 3.380 -11.784 1.00 62.34 N ATOM 0 H ASN A 60 6.451 4.015 -8.364 1.00 23.45 H new ATOM 0 HA ASN A 60 8.460 6.176 -8.761 1.00 31.44 H new ATOM 0 HB2 ASN A 60 6.435 4.923 -10.699 1.00 22.12 H new ATOM 0 HB3 ASN A 60 7.558 6.206 -11.107 1.00 22.12 H new ATOM 0 HD21 ASN A 60 8.810 2.657 -12.058 1.00 62.34 H new ATOM 0 HD22 ASN A 60 7.222 3.414 -12.216 1.00 62.34 H new ATOM 1041 N ASP A 61 6.740 8.086 -9.065 1.00 22.32 N ATOM 1042 CA ASP A 61 5.799 9.240 -8.968 1.00 2.21 C ATOM 1043 C ASP A 61 4.573 9.070 -9.882 1.00 71.33 C ATOM 1044 O ASP A 61 3.490 9.570 -9.568 1.00 11.14 O ATOM 1045 CB ASP A 61 6.510 10.581 -9.316 1.00 71.35 C ATOM 1046 CG ASP A 61 7.568 10.986 -8.280 1.00 1.11 C ATOM 1047 OD1 ASP A 61 7.208 11.645 -7.278 1.00 4.21 O ATOM 1048 OD2 ASP A 61 8.757 10.631 -8.449 1.00 23.10 O ATOM 0 H ASP A 61 7.657 8.342 -9.431 1.00 22.32 H new ATOM 0 HA ASP A 61 5.458 9.267 -7.933 1.00 2.21 H new ATOM 0 HB2 ASP A 61 6.983 10.492 -10.294 1.00 71.35 H new ATOM 0 HB3 ASP A 61 5.764 11.372 -9.393 1.00 71.35 H new ATOM 1053 N GLU A 62 4.761 8.383 -11.016 1.00 42.41 N ATOM 1054 CA GLU A 62 3.673 8.102 -11.968 1.00 23.13 C ATOM 1055 C GLU A 62 2.699 7.088 -11.348 1.00 4.04 C ATOM 1056 O GLU A 62 1.489 7.186 -11.528 1.00 62.31 O ATOM 1057 CB GLU A 62 4.255 7.574 -13.303 1.00 13.23 C ATOM 1058 CG GLU A 62 3.222 7.421 -14.433 1.00 33.13 C ATOM 1059 CD GLU A 62 3.844 6.887 -15.728 1.00 64.25 C ATOM 1060 OE1 GLU A 62 3.904 5.649 -15.897 1.00 34.24 O ATOM 1061 OE2 GLU A 62 4.279 7.698 -16.581 1.00 61.24 O ATOM 0 H GLU A 62 5.666 8.007 -11.301 1.00 42.41 H new ATOM 0 HA GLU A 62 3.128 9.021 -12.181 1.00 23.13 H new ATOM 0 HB2 GLU A 62 5.041 8.252 -13.636 1.00 13.23 H new ATOM 0 HB3 GLU A 62 4.724 6.607 -13.123 1.00 13.23 H new ATOM 0 HG2 GLU A 62 2.430 6.746 -14.108 1.00 33.13 H new ATOM 0 HG3 GLU A 62 2.756 8.387 -14.629 1.00 33.13 H new ATOM 1068 N GLU A 63 3.264 6.138 -10.579 1.00 44.35 N ATOM 1069 CA GLU A 63 2.488 5.141 -9.823 1.00 13.45 C ATOM 1070 C GLU A 63 1.798 5.787 -8.611 1.00 61.41 C ATOM 1071 O GLU A 63 0.721 5.353 -8.215 1.00 32.30 O ATOM 1072 CB GLU A 63 3.402 3.968 -9.366 1.00 12.30 C ATOM 1073 CG GLU A 63 4.198 3.298 -10.500 1.00 24.21 C ATOM 1074 CD GLU A 63 3.307 2.803 -11.653 1.00 61.34 C ATOM 1075 OE1 GLU A 63 2.755 1.690 -11.548 1.00 60.05 O ATOM 1076 OE2 GLU A 63 3.151 3.536 -12.659 1.00 1.04 O ATOM 0 H GLU A 63 4.273 6.041 -10.465 1.00 44.35 H new ATOM 0 HA GLU A 63 1.717 4.743 -10.482 1.00 13.45 H new ATOM 0 HB2 GLU A 63 4.103 4.340 -8.619 1.00 12.30 H new ATOM 0 HB3 GLU A 63 2.786 3.213 -8.877 1.00 12.30 H new ATOM 0 HG2 GLU A 63 4.928 4.007 -10.891 1.00 24.21 H new ATOM 0 HG3 GLU A 63 4.758 2.455 -10.094 1.00 24.21 H new ATOM 1083 N LEU A 64 2.455 6.809 -8.029 1.00 4.23 N ATOM 1084 CA LEU A 64 1.922 7.605 -6.907 1.00 71.42 C ATOM 1085 C LEU A 64 0.611 8.277 -7.314 1.00 2.52 C ATOM 1086 O LEU A 64 -0.439 8.072 -6.688 1.00 54.32 O ATOM 1087 CB LEU A 64 2.983 8.669 -6.485 1.00 34.44 C ATOM 1088 CG LEU A 64 2.675 9.506 -5.206 1.00 61.32 C ATOM 1089 CD1 LEU A 64 2.595 8.613 -3.953 1.00 14.42 C ATOM 1090 CD2 LEU A 64 3.713 10.635 -5.019 1.00 32.04 C ATOM 0 H LEU A 64 3.383 7.108 -8.329 1.00 4.23 H new ATOM 0 HA LEU A 64 1.716 6.952 -6.059 1.00 71.42 H new ATOM 0 HB2 LEU A 64 3.934 8.158 -6.335 1.00 34.44 H new ATOM 0 HB3 LEU A 64 3.120 9.360 -7.317 1.00 34.44 H new ATOM 0 HG LEU A 64 1.697 9.967 -5.342 1.00 61.32 H new ATOM 0 HD11 LEU A 64 2.379 9.229 -3.080 1.00 14.42 H new ATOM 0 HD12 LEU A 64 1.803 7.876 -4.082 1.00 14.42 H new ATOM 0 HD13 LEU A 64 3.547 8.101 -3.809 1.00 14.42 H new ATOM 0 HD21 LEU A 64 3.475 11.203 -4.120 1.00 32.04 H new ATOM 0 HD22 LEU A 64 4.708 10.202 -4.921 1.00 32.04 H new ATOM 0 HD23 LEU A 64 3.689 11.298 -5.884 1.00 32.04 H new ATOM 1102 N ASP A 65 0.687 9.037 -8.409 1.00 63.45 N ATOM 1103 CA ASP A 65 -0.452 9.772 -8.955 1.00 12.31 C ATOM 1104 C ASP A 65 -1.510 8.835 -9.542 1.00 45.44 C ATOM 1105 O ASP A 65 -2.698 9.135 -9.434 1.00 22.45 O ATOM 1106 CB ASP A 65 0.036 10.825 -9.979 1.00 33.43 C ATOM 1107 CG ASP A 65 0.651 12.063 -9.289 1.00 75.12 C ATOM 1108 OD1 ASP A 65 -0.112 12.985 -8.911 1.00 11.22 O ATOM 1109 OD2 ASP A 65 1.885 12.105 -9.089 1.00 71.35 O ATOM 0 H ASP A 65 1.547 9.159 -8.944 1.00 63.45 H new ATOM 0 HA ASP A 65 -0.943 10.301 -8.138 1.00 12.31 H new ATOM 0 HB2 ASP A 65 0.776 10.373 -10.639 1.00 33.43 H new ATOM 0 HB3 ASP A 65 -0.800 11.137 -10.605 1.00 33.43 H new ATOM 1114 N LYS A 66 -1.082 7.694 -10.115 1.00 33.24 N ATOM 1115 CA LYS A 66 -2.009 6.684 -10.657 1.00 2.35 C ATOM 1116 C LYS A 66 -2.867 6.092 -9.527 1.00 13.33 C ATOM 1117 O LYS A 66 -4.091 6.085 -9.614 1.00 50.30 O ATOM 1118 CB LYS A 66 -1.238 5.550 -11.387 1.00 62.40 C ATOM 1119 CG LYS A 66 -2.131 4.599 -12.222 1.00 4.21 C ATOM 1120 CD LYS A 66 -2.846 5.341 -13.376 1.00 43.24 C ATOM 1121 CE LYS A 66 -3.723 4.427 -14.244 1.00 21.42 C ATOM 1122 NZ LYS A 66 -4.378 5.190 -15.344 1.00 22.15 N ATOM 0 H LYS A 66 -0.097 7.449 -10.214 1.00 33.24 H new ATOM 0 HA LYS A 66 -2.658 7.176 -11.381 1.00 2.35 H new ATOM 0 HB2 LYS A 66 -0.494 5.999 -12.044 1.00 62.40 H new ATOM 0 HB3 LYS A 66 -0.696 4.962 -10.647 1.00 62.40 H new ATOM 0 HG2 LYS A 66 -1.520 3.794 -12.632 1.00 4.21 H new ATOM 0 HG3 LYS A 66 -2.874 4.136 -11.573 1.00 4.21 H new ATOM 0 HD2 LYS A 66 -3.465 6.135 -12.958 1.00 43.24 H new ATOM 0 HD3 LYS A 66 -2.098 5.820 -14.008 1.00 43.24 H new ATOM 0 HE2 LYS A 66 -3.113 3.628 -14.666 1.00 21.42 H new ATOM 0 HE3 LYS A 66 -4.484 3.954 -13.624 1.00 21.42 H new ATOM 0 HZ1 LYS A 66 -4.963 4.546 -15.913 1.00 22.15 H new ATOM 0 HZ2 LYS A 66 -4.978 5.937 -14.939 1.00 22.15 H new ATOM 0 HZ3 LYS A 66 -3.650 5.621 -15.949 1.00 22.15 H new ATOM 1136 N ALA A 67 -2.193 5.652 -8.451 1.00 44.04 N ATOM 1137 CA ALA A 67 -2.831 5.006 -7.292 1.00 75.22 C ATOM 1138 C ALA A 67 -3.783 5.973 -6.557 1.00 34.34 C ATOM 1139 O ALA A 67 -4.802 5.541 -6.020 1.00 60.02 O ATOM 1140 CB ALA A 67 -1.764 4.465 -6.332 1.00 54.11 C ATOM 0 H ALA A 67 -1.180 5.736 -8.361 1.00 44.04 H new ATOM 0 HA ALA A 67 -3.430 4.173 -7.660 1.00 75.22 H new ATOM 0 HB1 ALA A 67 -2.249 3.990 -5.479 1.00 54.11 H new ATOM 0 HB2 ALA A 67 -1.145 3.734 -6.851 1.00 54.11 H new ATOM 0 HB3 ALA A 67 -1.139 5.287 -5.982 1.00 54.11 H new ATOM 1146 N LYS A 68 -3.432 7.283 -6.549 1.00 71.24 N ATOM 1147 CA LYS A 68 -4.308 8.341 -5.992 1.00 10.54 C ATOM 1148 C LYS A 68 -5.590 8.499 -6.837 1.00 72.35 C ATOM 1149 O LYS A 68 -6.687 8.564 -6.283 1.00 35.45 O ATOM 1150 CB LYS A 68 -3.569 9.708 -5.884 1.00 74.10 C ATOM 1151 CG LYS A 68 -2.510 9.764 -4.758 1.00 11.01 C ATOM 1152 CD LYS A 68 -1.824 11.147 -4.624 1.00 31.20 C ATOM 1153 CE LYS A 68 -1.029 11.539 -5.878 1.00 3.20 C ATOM 1154 NZ LYS A 68 -0.494 12.925 -5.815 1.00 3.13 N ATOM 0 H LYS A 68 -2.549 7.631 -6.922 1.00 71.24 H new ATOM 0 HA LYS A 68 -4.585 8.027 -4.985 1.00 10.54 H new ATOM 0 HB2 LYS A 68 -3.084 9.923 -6.836 1.00 74.10 H new ATOM 0 HB3 LYS A 68 -4.305 10.495 -5.716 1.00 74.10 H new ATOM 0 HG2 LYS A 68 -2.985 9.509 -3.810 1.00 11.01 H new ATOM 0 HG3 LYS A 68 -1.749 9.007 -4.947 1.00 11.01 H new ATOM 0 HD2 LYS A 68 -2.581 11.906 -4.427 1.00 31.20 H new ATOM 0 HD3 LYS A 68 -1.155 11.134 -3.764 1.00 31.20 H new ATOM 0 HE2 LYS A 68 -0.202 10.841 -6.010 1.00 3.20 H new ATOM 0 HE3 LYS A 68 -1.671 11.442 -6.754 1.00 3.20 H new ATOM 0 HZ1 LYS A 68 -0.241 13.243 -6.772 1.00 3.13 H new ATOM 0 HZ2 LYS A 68 -1.218 13.559 -5.419 1.00 3.13 H new ATOM 0 HZ3 LYS A 68 0.351 12.944 -5.209 1.00 3.13 H new ATOM 1168 N GLU A 69 -5.426 8.556 -8.178 1.00 74.44 N ATOM 1169 CA GLU A 69 -6.551 8.707 -9.139 1.00 61.41 C ATOM 1170 C GLU A 69 -7.548 7.544 -8.996 1.00 62.00 C ATOM 1171 O GLU A 69 -8.756 7.765 -8.829 1.00 34.11 O ATOM 1172 CB GLU A 69 -6.030 8.781 -10.600 1.00 43.20 C ATOM 1173 CG GLU A 69 -5.258 10.066 -10.943 1.00 33.40 C ATOM 1174 CD GLU A 69 -4.638 10.037 -12.351 1.00 62.41 C ATOM 1175 OE1 GLU A 69 -3.506 9.523 -12.505 1.00 45.01 O ATOM 1176 OE2 GLU A 69 -5.286 10.512 -13.314 1.00 64.20 O ATOM 0 H GLU A 69 -4.512 8.499 -8.628 1.00 74.44 H new ATOM 0 HA GLU A 69 -7.063 9.641 -8.906 1.00 61.41 H new ATOM 0 HB2 GLU A 69 -5.382 7.924 -10.784 1.00 43.20 H new ATOM 0 HB3 GLU A 69 -6.878 8.691 -11.279 1.00 43.20 H new ATOM 0 HG2 GLU A 69 -5.932 10.919 -10.866 1.00 33.40 H new ATOM 0 HG3 GLU A 69 -4.468 10.216 -10.207 1.00 33.40 H new ATOM 1183 N LEU A 70 -6.998 6.318 -9.004 1.00 4.05 N ATOM 1184 CA LEU A 70 -7.764 5.069 -8.883 1.00 4.41 C ATOM 1185 C LEU A 70 -8.520 5.043 -7.538 1.00 62.13 C ATOM 1186 O LEU A 70 -9.715 4.745 -7.499 1.00 41.14 O ATOM 1187 CB LEU A 70 -6.807 3.842 -9.021 1.00 23.14 C ATOM 1188 CG LEU A 70 -6.027 3.715 -10.376 1.00 14.22 C ATOM 1189 CD1 LEU A 70 -4.990 2.567 -10.323 1.00 60.30 C ATOM 1190 CD2 LEU A 70 -6.989 3.556 -11.578 1.00 52.45 C ATOM 0 H LEU A 70 -5.994 6.166 -9.096 1.00 4.05 H new ATOM 0 HA LEU A 70 -8.500 5.015 -9.685 1.00 4.41 H new ATOM 0 HB2 LEU A 70 -6.079 3.883 -8.210 1.00 23.14 H new ATOM 0 HB3 LEU A 70 -7.393 2.934 -8.878 1.00 23.14 H new ATOM 0 HG LEU A 70 -5.480 4.646 -10.524 1.00 14.22 H new ATOM 0 HD11 LEU A 70 -4.466 2.505 -11.277 1.00 60.30 H new ATOM 0 HD12 LEU A 70 -4.272 2.762 -9.527 1.00 60.30 H new ATOM 0 HD13 LEU A 70 -5.501 1.624 -10.128 1.00 60.30 H new ATOM 0 HD21 LEU A 70 -6.411 3.471 -12.498 1.00 52.45 H new ATOM 0 HD22 LEU A 70 -7.593 2.658 -11.445 1.00 52.45 H new ATOM 0 HD23 LEU A 70 -7.642 4.427 -11.639 1.00 52.45 H new ATOM 1202 N ALA A 71 -7.809 5.417 -6.454 1.00 74.31 N ATOM 1203 CA ALA A 71 -8.374 5.508 -5.087 1.00 43.31 C ATOM 1204 C ALA A 71 -9.556 6.494 -5.006 1.00 1.23 C ATOM 1205 O ALA A 71 -10.495 6.271 -4.242 1.00 23.32 O ATOM 1206 CB ALA A 71 -7.280 5.923 -4.093 1.00 15.34 C ATOM 0 H ALA A 71 -6.821 5.666 -6.500 1.00 74.31 H new ATOM 0 HA ALA A 71 -8.755 4.520 -4.828 1.00 43.31 H new ATOM 0 HB1 ALA A 71 -7.704 5.987 -3.091 1.00 15.34 H new ATOM 0 HB2 ALA A 71 -6.481 5.182 -4.102 1.00 15.34 H new ATOM 0 HB3 ALA A 71 -6.877 6.895 -4.380 1.00 15.34 H new ATOM 1212 N GLN A 72 -9.485 7.585 -5.790 1.00 23.51 N ATOM 1213 CA GLN A 72 -10.552 8.608 -5.851 1.00 13.10 C ATOM 1214 C GLN A 72 -11.801 8.063 -6.562 1.00 51.11 C ATOM 1215 O GLN A 72 -12.923 8.312 -6.105 1.00 21.30 O ATOM 1216 CB GLN A 72 -10.022 9.897 -6.535 1.00 5.41 C ATOM 1217 CG GLN A 72 -8.982 10.660 -5.686 1.00 35.11 C ATOM 1218 CD GLN A 72 -8.340 11.840 -6.422 1.00 15.44 C ATOM 1219 OE1 GLN A 72 -8.821 12.971 -6.361 1.00 74.23 O ATOM 1220 NE2 GLN A 72 -7.248 11.580 -7.116 1.00 35.31 N ATOM 0 H GLN A 72 -8.691 7.785 -6.398 1.00 23.51 H new ATOM 0 HA GLN A 72 -10.847 8.863 -4.833 1.00 13.10 H new ATOM 0 HB2 GLN A 72 -9.574 9.633 -7.493 1.00 5.41 H new ATOM 0 HB3 GLN A 72 -10.862 10.558 -6.747 1.00 5.41 H new ATOM 0 HG2 GLN A 72 -9.463 11.026 -4.779 1.00 35.11 H new ATOM 0 HG3 GLN A 72 -8.200 9.967 -5.375 1.00 35.11 H new ATOM 0 HE21 GLN A 72 -6.876 10.631 -7.145 1.00 35.31 H new ATOM 0 HE22 GLN A 72 -6.776 12.328 -7.623 1.00 35.31 H new ATOM 1229 N LYS A 73 -11.600 7.275 -7.642 1.00 32.23 N ATOM 1230 CA LYS A 73 -12.726 6.657 -8.402 1.00 34.33 C ATOM 1231 C LYS A 73 -13.463 5.638 -7.516 1.00 30.04 C ATOM 1232 O LYS A 73 -14.686 5.484 -7.594 1.00 25.21 O ATOM 1233 CB LYS A 73 -12.232 5.945 -9.697 1.00 13.51 C ATOM 1234 CG LYS A 73 -11.221 6.743 -10.536 1.00 3.31 C ATOM 1235 CD LYS A 73 -11.683 8.178 -10.893 1.00 63.40 C ATOM 1236 CE LYS A 73 -10.569 8.990 -11.582 1.00 75.13 C ATOM 1237 NZ LYS A 73 -11.003 10.370 -11.932 1.00 44.22 N ATOM 0 H LYS A 73 -10.676 7.049 -8.011 1.00 32.23 H new ATOM 0 HA LYS A 73 -13.402 7.462 -8.692 1.00 34.33 H new ATOM 0 HB2 LYS A 73 -11.779 4.993 -9.419 1.00 13.51 H new ATOM 0 HB3 LYS A 73 -13.097 5.717 -10.320 1.00 13.51 H new ATOM 0 HG2 LYS A 73 -10.279 6.802 -9.990 1.00 3.31 H new ATOM 0 HG3 LYS A 73 -11.021 6.198 -11.458 1.00 3.31 H new ATOM 0 HD2 LYS A 73 -12.552 8.126 -11.549 1.00 63.40 H new ATOM 0 HD3 LYS A 73 -11.999 8.693 -9.986 1.00 63.40 H new ATOM 0 HE2 LYS A 73 -9.701 9.041 -10.924 1.00 75.13 H new ATOM 0 HE3 LYS A 73 -10.253 8.472 -12.487 1.00 75.13 H new ATOM 0 HZ1 LYS A 73 -10.219 10.874 -12.393 1.00 44.22 H new ATOM 0 HZ2 LYS A 73 -11.814 10.325 -12.581 1.00 44.22 H new ATOM 0 HZ3 LYS A 73 -11.280 10.877 -11.067 1.00 44.22 H new ATOM 1251 N MET A 74 -12.675 4.951 -6.675 1.00 2.30 N ATOM 1252 CA MET A 74 -13.169 3.959 -5.710 1.00 41.04 C ATOM 1253 C MET A 74 -13.651 4.641 -4.408 1.00 30.13 C ATOM 1254 O MET A 74 -14.301 3.996 -3.573 1.00 23.32 O ATOM 1255 CB MET A 74 -12.038 2.953 -5.388 1.00 31.33 C ATOM 1256 CG MET A 74 -11.419 2.253 -6.604 1.00 14.11 C ATOM 1257 SD MET A 74 -12.564 1.212 -7.528 1.00 54.44 S ATOM 1258 CE MET A 74 -11.407 0.190 -8.451 1.00 73.12 C ATOM 0 H MET A 74 -11.663 5.071 -6.646 1.00 2.30 H new ATOM 0 HA MET A 74 -14.017 3.436 -6.151 1.00 41.04 H new ATOM 0 HB2 MET A 74 -11.248 3.479 -4.851 1.00 31.33 H new ATOM 0 HB3 MET A 74 -12.431 2.193 -4.713 1.00 31.33 H new ATOM 0 HG2 MET A 74 -11.013 3.010 -7.275 1.00 14.11 H new ATOM 0 HG3 MET A 74 -10.581 1.642 -6.268 1.00 14.11 H new ATOM 0 HE1 MET A 74 -11.894 -0.190 -9.349 1.00 73.12 H new ATOM 0 HE2 MET A 74 -10.540 0.787 -8.733 1.00 73.12 H new ATOM 0 HE3 MET A 74 -11.086 -0.647 -7.831 1.00 73.12 H new ATOM 1268 N GLU A 75 -13.301 5.946 -4.260 1.00 42.24 N ATOM 1269 CA GLU A 75 -13.640 6.797 -3.090 1.00 2.32 C ATOM 1270 C GLU A 75 -13.028 6.277 -1.762 1.00 43.13 C ATOM 1271 O GLU A 75 -13.471 6.670 -0.672 1.00 22.32 O ATOM 1272 CB GLU A 75 -15.187 6.980 -2.974 1.00 63.50 C ATOM 1273 CG GLU A 75 -15.839 7.642 -4.208 1.00 64.11 C ATOM 1274 CD GLU A 75 -17.366 7.793 -4.091 1.00 73.11 C ATOM 1275 OE1 GLU A 75 -17.835 8.796 -3.503 1.00 2.31 O ATOM 1276 OE2 GLU A 75 -18.105 6.909 -4.584 1.00 3.45 O ATOM 0 H GLU A 75 -12.763 6.446 -4.968 1.00 42.24 H new ATOM 0 HA GLU A 75 -13.186 7.772 -3.266 1.00 2.32 H new ATOM 0 HB2 GLU A 75 -15.646 6.005 -2.813 1.00 63.50 H new ATOM 0 HB3 GLU A 75 -15.405 7.584 -2.093 1.00 63.50 H new ATOM 0 HG2 GLU A 75 -15.395 8.626 -4.359 1.00 64.11 H new ATOM 0 HG3 GLU A 75 -15.608 7.049 -5.093 1.00 64.11 H new ATOM 1283 N ILE A 76 -11.976 5.439 -1.861 1.00 40.45 N ATOM 1284 CA ILE A 76 -11.328 4.807 -0.694 1.00 1.54 C ATOM 1285 C ILE A 76 -10.311 5.769 -0.041 1.00 4.13 C ATOM 1286 O ILE A 76 -9.600 6.507 -0.740 1.00 2.32 O ATOM 1287 CB ILE A 76 -10.613 3.453 -1.085 1.00 64.15 C ATOM 1288 CG1 ILE A 76 -11.633 2.476 -1.742 1.00 32.41 C ATOM 1289 CG2 ILE A 76 -9.939 2.778 0.142 1.00 11.21 C ATOM 1290 CD1 ILE A 76 -11.047 1.157 -2.201 1.00 32.14 C ATOM 0 H ILE A 76 -11.552 5.182 -2.752 1.00 40.45 H new ATOM 0 HA ILE A 76 -12.115 4.580 0.026 1.00 1.54 H new ATOM 0 HB ILE A 76 -9.828 3.692 -1.802 1.00 64.15 H new ATOM 0 HG12 ILE A 76 -12.432 2.273 -1.028 1.00 32.41 H new ATOM 0 HG13 ILE A 76 -12.089 2.972 -2.599 1.00 32.41 H new ATOM 0 HG21 ILE A 76 -9.459 1.851 -0.171 1.00 11.21 H new ATOM 0 HG22 ILE A 76 -9.190 3.450 0.561 1.00 11.21 H new ATOM 0 HG23 ILE A 76 -10.694 2.559 0.897 1.00 11.21 H new ATOM 0 HD11 ILE A 76 -11.832 0.545 -2.645 1.00 32.14 H new ATOM 0 HD12 ILE A 76 -10.269 1.343 -2.942 1.00 32.14 H new ATOM 0 HD13 ILE A 76 -10.617 0.633 -1.347 1.00 32.14 H new ATOM 1302 N ASP A 77 -10.261 5.735 1.302 1.00 21.03 N ATOM 1303 CA ASP A 77 -9.334 6.533 2.111 1.00 53.23 C ATOM 1304 C ASP A 77 -7.945 5.872 2.117 1.00 45.20 C ATOM 1305 O ASP A 77 -7.762 4.787 2.695 1.00 71.10 O ATOM 1306 CB ASP A 77 -9.898 6.665 3.542 1.00 51.33 C ATOM 1307 CG ASP A 77 -8.984 7.415 4.523 1.00 51.45 C ATOM 1308 OD1 ASP A 77 -8.429 8.480 4.150 1.00 11.45 O ATOM 1309 OD2 ASP A 77 -8.839 6.965 5.682 1.00 62.24 O ATOM 0 H ASP A 77 -10.875 5.142 1.861 1.00 21.03 H new ATOM 0 HA ASP A 77 -9.228 7.531 1.685 1.00 53.23 H new ATOM 0 HB2 ASP A 77 -10.858 7.180 3.494 1.00 51.33 H new ATOM 0 HB3 ASP A 77 -10.091 5.667 3.936 1.00 51.33 H new ATOM 1314 N VAL A 78 -6.980 6.519 1.437 1.00 62.51 N ATOM 1315 CA VAL A 78 -5.636 5.962 1.209 1.00 74.42 C ATOM 1316 C VAL A 78 -4.524 6.956 1.624 1.00 34.31 C ATOM 1317 O VAL A 78 -4.601 8.144 1.331 1.00 55.20 O ATOM 1318 CB VAL A 78 -5.452 5.573 -0.313 1.00 22.51 C ATOM 1319 CG1 VAL A 78 -4.029 5.057 -0.597 1.00 30.50 C ATOM 1320 CG2 VAL A 78 -6.507 4.533 -0.774 1.00 45.02 C ATOM 0 H VAL A 78 -7.112 7.445 1.030 1.00 62.51 H new ATOM 0 HA VAL A 78 -5.546 5.071 1.830 1.00 74.42 H new ATOM 0 HB VAL A 78 -5.605 6.485 -0.890 1.00 22.51 H new ATOM 0 HG11 VAL A 78 -3.939 4.799 -1.652 1.00 30.50 H new ATOM 0 HG12 VAL A 78 -3.305 5.833 -0.350 1.00 30.50 H new ATOM 0 HG13 VAL A 78 -3.835 4.173 0.010 1.00 30.50 H new ATOM 0 HG21 VAL A 78 -6.346 4.293 -1.825 1.00 45.02 H new ATOM 0 HG22 VAL A 78 -6.410 3.627 -0.176 1.00 45.02 H new ATOM 0 HG23 VAL A 78 -7.507 4.948 -0.646 1.00 45.02 H new ATOM 1330 N ARG A 79 -3.481 6.422 2.291 1.00 5.33 N ATOM 1331 CA ARG A 79 -2.194 7.101 2.498 1.00 41.40 C ATOM 1332 C ARG A 79 -1.275 6.640 1.362 1.00 71.01 C ATOM 1333 O ARG A 79 -0.772 5.510 1.387 1.00 63.32 O ATOM 1334 CB ARG A 79 -1.548 6.748 3.875 1.00 75.40 C ATOM 1335 CG ARG A 79 -2.122 7.479 5.105 1.00 51.35 C ATOM 1336 CD ARG A 79 -3.584 7.131 5.413 1.00 13.35 C ATOM 1337 NE ARG A 79 -4.022 7.770 6.659 1.00 33.25 N ATOM 1338 CZ ARG A 79 -5.277 8.113 6.963 1.00 62.01 C ATOM 1339 NH1 ARG A 79 -6.267 7.890 6.113 1.00 0.13 N ATOM 1340 NH2 ARG A 79 -5.525 8.677 8.134 1.00 53.13 N ATOM 0 H ARG A 79 -3.514 5.491 2.706 1.00 5.33 H new ATOM 0 HA ARG A 79 -2.345 8.181 2.498 1.00 41.40 H new ATOM 0 HB2 ARG A 79 -1.650 5.675 4.036 1.00 75.40 H new ATOM 0 HB3 ARG A 79 -0.481 6.961 3.817 1.00 75.40 H new ATOM 0 HG2 ARG A 79 -1.511 7.239 5.975 1.00 51.35 H new ATOM 0 HG3 ARG A 79 -2.041 8.554 4.946 1.00 51.35 H new ATOM 0 HD2 ARG A 79 -4.221 7.455 4.590 1.00 13.35 H new ATOM 0 HD3 ARG A 79 -3.695 6.050 5.495 1.00 13.35 H new ATOM 0 HE ARG A 79 -3.304 7.970 7.355 1.00 33.25 H new ATOM 0 HH11 ARG A 79 -6.077 7.451 5.212 1.00 0.13 H new ATOM 0 HH12 ARG A 79 -7.220 8.157 6.359 1.00 0.13 H new ATOM 0 HH21 ARG A 79 -4.763 8.845 8.791 1.00 53.13 H new ATOM 0 HH22 ARG A 79 -6.478 8.944 8.380 1.00 53.13 H new ATOM 1354 N THR A 80 -1.088 7.491 0.357 1.00 2.13 N ATOM 1355 CA THR A 80 -0.336 7.125 -0.846 1.00 35.41 C ATOM 1356 C THR A 80 1.083 7.701 -0.717 1.00 11.14 C ATOM 1357 O THR A 80 1.291 8.915 -0.830 1.00 44.13 O ATOM 1358 CB THR A 80 -1.042 7.635 -2.153 1.00 2.42 C ATOM 1359 OG1 THR A 80 -2.471 7.568 -1.991 1.00 41.44 O ATOM 1360 CG2 THR A 80 -0.642 6.787 -3.381 1.00 23.11 C ATOM 0 H THR A 80 -1.448 8.445 0.350 1.00 2.13 H new ATOM 0 HA THR A 80 -0.291 6.039 -0.929 1.00 35.41 H new ATOM 0 HB THR A 80 -0.724 8.664 -2.321 1.00 2.42 H new ATOM 0 HG1 THR A 80 -2.892 7.414 -2.862 1.00 41.44 H new ATOM 0 HG21 THR A 80 -1.149 7.168 -4.267 1.00 23.11 H new ATOM 0 HG22 THR A 80 0.437 6.845 -3.527 1.00 23.11 H new ATOM 0 HG23 THR A 80 -0.931 5.749 -3.216 1.00 23.11 H new ATOM 1368 N ARG A 81 2.036 6.816 -0.427 1.00 34.01 N ATOM 1369 CA ARG A 81 3.439 7.156 -0.144 1.00 33.34 C ATOM 1370 C ARG A 81 4.332 6.550 -1.237 1.00 74.12 C ATOM 1371 O ARG A 81 4.038 5.466 -1.738 1.00 41.50 O ATOM 1372 CB ARG A 81 3.819 6.574 1.246 1.00 23.51 C ATOM 1373 CG ARG A 81 2.948 7.083 2.419 1.00 1.32 C ATOM 1374 CD ARG A 81 3.278 8.529 2.845 1.00 63.42 C ATOM 1375 NE ARG A 81 2.213 9.144 3.666 1.00 65.33 N ATOM 1376 CZ ARG A 81 1.846 8.780 4.909 1.00 22.31 C ATOM 1377 NH1 ARG A 81 2.436 7.772 5.548 1.00 4.20 N ATOM 1378 NH2 ARG A 81 0.878 9.443 5.511 1.00 15.33 N ATOM 0 H ARG A 81 1.853 5.814 -0.380 1.00 34.01 H new ATOM 0 HA ARG A 81 3.577 8.237 -0.134 1.00 33.34 H new ATOM 0 HB2 ARG A 81 3.746 5.487 1.202 1.00 23.51 H new ATOM 0 HB3 ARG A 81 4.861 6.816 1.454 1.00 23.51 H new ATOM 0 HG2 ARG A 81 1.898 7.027 2.133 1.00 1.32 H new ATOM 0 HG3 ARG A 81 3.081 6.421 3.275 1.00 1.32 H new ATOM 0 HD2 ARG A 81 4.211 8.533 3.408 1.00 63.42 H new ATOM 0 HD3 ARG A 81 3.440 9.137 1.955 1.00 63.42 H new ATOM 0 HE ARG A 81 1.705 9.923 3.248 1.00 65.33 H new ATOM 0 HH11 ARG A 81 3.188 7.252 5.096 1.00 4.20 H new ATOM 0 HH12 ARG A 81 2.136 7.520 6.490 1.00 4.20 H new ATOM 0 HH21 ARG A 81 0.419 10.219 5.035 1.00 15.33 H new ATOM 0 HH22 ARG A 81 0.588 9.179 6.453 1.00 15.33 H new ATOM 1392 N LYS A 82 5.410 7.258 -1.606 1.00 60.01 N ATOM 1393 CA LYS A 82 6.403 6.754 -2.566 1.00 73.14 C ATOM 1394 C LYS A 82 7.650 6.307 -1.804 1.00 44.12 C ATOM 1395 O LYS A 82 8.144 7.034 -0.936 1.00 32.24 O ATOM 1396 CB LYS A 82 6.771 7.838 -3.611 1.00 1.41 C ATOM 1397 CG LYS A 82 7.811 7.367 -4.663 1.00 40.13 C ATOM 1398 CD LYS A 82 8.329 8.516 -5.555 1.00 42.03 C ATOM 1399 CE LYS A 82 9.048 9.612 -4.742 1.00 14.33 C ATOM 1400 NZ LYS A 82 9.511 10.728 -5.605 1.00 75.13 N ATOM 0 H LYS A 82 5.617 8.191 -1.250 1.00 60.01 H new ATOM 0 HA LYS A 82 5.976 5.908 -3.105 1.00 73.14 H new ATOM 0 HB2 LYS A 82 5.864 8.155 -4.127 1.00 1.41 H new ATOM 0 HB3 LYS A 82 7.164 8.712 -3.091 1.00 1.41 H new ATOM 0 HG2 LYS A 82 8.654 6.904 -4.150 1.00 40.13 H new ATOM 0 HG3 LYS A 82 7.361 6.600 -5.293 1.00 40.13 H new ATOM 0 HD2 LYS A 82 9.014 8.113 -6.301 1.00 42.03 H new ATOM 0 HD3 LYS A 82 7.492 8.958 -6.096 1.00 42.03 H new ATOM 0 HE2 LYS A 82 8.373 9.999 -3.979 1.00 14.33 H new ATOM 0 HE3 LYS A 82 9.902 9.177 -4.222 1.00 14.33 H new ATOM 0 HZ1 LYS A 82 10.118 11.366 -5.052 1.00 75.13 H new ATOM 0 HZ2 LYS A 82 10.051 10.345 -6.407 1.00 75.13 H new ATOM 0 HZ3 LYS A 82 8.689 11.256 -5.961 1.00 75.13 H new ATOM 1414 N VAL A 83 8.150 5.109 -2.124 1.00 54.31 N ATOM 1415 CA VAL A 83 9.347 4.541 -1.493 1.00 63.31 C ATOM 1416 C VAL A 83 10.338 4.075 -2.573 1.00 24.25 C ATOM 1417 O VAL A 83 9.950 3.488 -3.597 1.00 31.10 O ATOM 1418 CB VAL A 83 8.985 3.367 -0.503 1.00 23.03 C ATOM 1419 CG1 VAL A 83 8.060 3.878 0.629 1.00 2.44 C ATOM 1420 CG2 VAL A 83 8.357 2.149 -1.231 1.00 25.43 C ATOM 0 H VAL A 83 7.734 4.503 -2.831 1.00 54.31 H new ATOM 0 HA VAL A 83 9.821 5.321 -0.897 1.00 63.31 H new ATOM 0 HB VAL A 83 9.918 3.018 -0.061 1.00 23.03 H new ATOM 0 HG11 VAL A 83 7.820 3.055 1.302 1.00 2.44 H new ATOM 0 HG12 VAL A 83 8.567 4.666 1.185 1.00 2.44 H new ATOM 0 HG13 VAL A 83 7.140 4.273 0.197 1.00 2.44 H new ATOM 0 HG21 VAL A 83 8.127 1.370 -0.504 1.00 25.43 H new ATOM 0 HG22 VAL A 83 7.441 2.458 -1.734 1.00 25.43 H new ATOM 0 HG23 VAL A 83 9.062 1.762 -1.967 1.00 25.43 H new ATOM 1430 N THR A 84 11.618 4.395 -2.352 1.00 0.40 N ATOM 1431 CA THR A 84 12.725 3.982 -3.227 1.00 34.14 C ATOM 1432 C THR A 84 13.659 3.032 -2.459 1.00 41.40 C ATOM 1433 O THR A 84 14.418 2.275 -3.066 1.00 15.30 O ATOM 1434 CB THR A 84 13.535 5.224 -3.737 1.00 33.03 C ATOM 1435 OG1 THR A 84 14.050 5.969 -2.618 1.00 2.24 O ATOM 1436 CG2 THR A 84 12.683 6.170 -4.605 1.00 41.52 C ATOM 0 H THR A 84 11.919 4.953 -1.553 1.00 0.40 H new ATOM 0 HA THR A 84 12.307 3.469 -4.093 1.00 34.14 H new ATOM 0 HB THR A 84 14.347 4.837 -4.352 1.00 33.03 H new ATOM 0 HG1 THR A 84 13.661 5.623 -1.788 1.00 2.24 H new ATOM 0 HG21 THR A 84 13.293 7.013 -4.931 1.00 41.52 H new ATOM 0 HG22 THR A 84 12.314 5.630 -5.477 1.00 41.52 H new ATOM 0 HG23 THR A 84 11.839 6.538 -4.022 1.00 41.52 H new ATOM 1444 N SER A 85 13.588 3.089 -1.116 1.00 31.22 N ATOM 1445 CA SER A 85 14.433 2.298 -0.207 1.00 1.42 C ATOM 1446 C SER A 85 13.523 1.535 0.799 1.00 21.20 C ATOM 1447 O SER A 85 12.421 2.022 1.108 1.00 42.11 O ATOM 1448 CB SER A 85 15.411 3.254 0.517 1.00 44.33 C ATOM 1449 OG SER A 85 16.144 4.038 -0.416 1.00 22.00 O ATOM 0 H SER A 85 12.931 3.696 -0.626 1.00 31.22 H new ATOM 0 HA SER A 85 15.017 1.561 -0.758 1.00 1.42 H new ATOM 0 HB2 SER A 85 14.855 3.908 1.189 1.00 44.33 H new ATOM 0 HB3 SER A 85 16.101 2.676 1.133 1.00 44.33 H new ATOM 0 HG SER A 85 16.754 4.635 0.066 1.00 22.00 H new ATOM 1455 N PRO A 86 13.960 0.328 1.323 1.00 44.44 N ATOM 1456 CA PRO A 86 13.107 -0.556 2.167 1.00 42.32 C ATOM 1457 C PRO A 86 12.619 0.095 3.473 1.00 45.22 C ATOM 1458 O PRO A 86 11.451 -0.050 3.836 1.00 74.23 O ATOM 1459 CB PRO A 86 14.013 -1.792 2.438 1.00 3.23 C ATOM 1460 CG PRO A 86 15.411 -1.307 2.214 1.00 4.44 C ATOM 1461 CD PRO A 86 15.304 -0.283 1.109 1.00 33.22 C ATOM 0 HA PRO A 86 12.175 -0.803 1.659 1.00 42.32 H new ATOM 0 HB2 PRO A 86 13.882 -2.161 3.455 1.00 3.23 H new ATOM 0 HB3 PRO A 86 13.769 -2.615 1.766 1.00 3.23 H new ATOM 0 HG2 PRO A 86 15.824 -0.866 3.121 1.00 4.44 H new ATOM 0 HG3 PRO A 86 16.071 -2.126 1.929 1.00 4.44 H new ATOM 0 HD2 PRO A 86 16.097 0.461 1.175 1.00 33.22 H new ATOM 0 HD3 PRO A 86 15.382 -0.746 0.125 1.00 33.22 H new ATOM 1469 N ASP A 87 13.504 0.849 4.139 1.00 22.14 N ATOM 1470 CA ASP A 87 13.228 1.410 5.481 1.00 55.30 C ATOM 1471 C ASP A 87 12.202 2.556 5.437 1.00 42.44 C ATOM 1472 O ASP A 87 11.546 2.834 6.447 1.00 21.22 O ATOM 1473 CB ASP A 87 14.536 1.829 6.193 1.00 72.40 C ATOM 1474 CG ASP A 87 15.398 0.618 6.595 1.00 61.43 C ATOM 1475 OD1 ASP A 87 15.042 -0.077 7.579 1.00 65.20 O ATOM 1476 OD2 ASP A 87 16.418 0.335 5.920 1.00 43.53 O ATOM 0 H ASP A 87 14.425 1.089 3.772 1.00 22.14 H new ATOM 0 HA ASP A 87 12.773 0.616 6.073 1.00 55.30 H new ATOM 0 HB2 ASP A 87 15.112 2.480 5.535 1.00 72.40 H new ATOM 0 HB3 ASP A 87 14.292 2.410 7.083 1.00 72.40 H new ATOM 1481 N GLU A 88 12.079 3.221 4.273 1.00 11.14 N ATOM 1482 CA GLU A 88 10.986 4.185 4.016 1.00 61.03 C ATOM 1483 C GLU A 88 9.622 3.477 4.122 1.00 51.24 C ATOM 1484 O GLU A 88 8.725 3.947 4.835 1.00 72.54 O ATOM 1485 CB GLU A 88 11.141 4.841 2.618 1.00 62.53 C ATOM 1486 CG GLU A 88 12.418 5.682 2.446 1.00 35.10 C ATOM 1487 CD GLU A 88 12.502 6.362 1.070 1.00 13.54 C ATOM 1488 OE1 GLU A 88 12.983 5.728 0.109 1.00 32.31 O ATOM 1489 OE2 GLU A 88 12.061 7.525 0.935 1.00 23.21 O ATOM 0 H GLU A 88 12.725 3.109 3.491 1.00 11.14 H new ATOM 0 HA GLU A 88 11.040 4.972 4.768 1.00 61.03 H new ATOM 0 HB2 GLU A 88 11.132 4.058 1.860 1.00 62.53 H new ATOM 0 HB3 GLU A 88 10.275 5.476 2.430 1.00 62.53 H new ATOM 0 HG2 GLU A 88 12.454 6.443 3.225 1.00 35.10 H new ATOM 0 HG3 GLU A 88 13.290 5.043 2.584 1.00 35.10 H new ATOM 1496 N ALA A 89 9.518 2.311 3.449 1.00 44.52 N ATOM 1497 CA ALA A 89 8.285 1.504 3.413 1.00 13.12 C ATOM 1498 C ALA A 89 7.931 0.987 4.812 1.00 72.05 C ATOM 1499 O ALA A 89 6.786 1.117 5.254 1.00 42.42 O ATOM 1500 CB ALA A 89 8.435 0.336 2.424 1.00 15.14 C ATOM 0 H ALA A 89 10.287 1.905 2.916 1.00 44.52 H new ATOM 0 HA ALA A 89 7.469 2.141 3.072 1.00 13.12 H new ATOM 0 HB1 ALA A 89 7.516 -0.249 2.410 1.00 15.14 H new ATOM 0 HB2 ALA A 89 8.631 0.727 1.426 1.00 15.14 H new ATOM 0 HB3 ALA A 89 9.265 -0.299 2.734 1.00 15.14 H new ATOM 1506 N LYS A 90 8.953 0.450 5.509 1.00 1.53 N ATOM 1507 CA LYS A 90 8.822 -0.106 6.869 1.00 42.11 C ATOM 1508 C LYS A 90 8.290 0.948 7.856 1.00 60.10 C ATOM 1509 O LYS A 90 7.433 0.646 8.706 1.00 62.21 O ATOM 1510 CB LYS A 90 10.204 -0.610 7.352 1.00 22.22 C ATOM 1511 CG LYS A 90 10.826 -1.719 6.474 1.00 10.11 C ATOM 1512 CD LYS A 90 12.277 -2.065 6.888 1.00 73.33 C ATOM 1513 CE LYS A 90 12.378 -2.665 8.295 1.00 70.13 C ATOM 1514 NZ LYS A 90 13.764 -3.098 8.609 1.00 32.25 N ATOM 0 H LYS A 90 9.902 0.390 5.139 1.00 1.53 H new ATOM 0 HA LYS A 90 8.110 -0.931 6.834 1.00 42.11 H new ATOM 0 HB2 LYS A 90 10.892 0.235 7.389 1.00 22.22 H new ATOM 0 HB3 LYS A 90 10.104 -0.984 8.371 1.00 22.22 H new ATOM 0 HG2 LYS A 90 10.210 -2.616 6.539 1.00 10.11 H new ATOM 0 HG3 LYS A 90 10.816 -1.400 5.432 1.00 10.11 H new ATOM 0 HD2 LYS A 90 12.695 -2.770 6.169 1.00 73.33 H new ATOM 0 HD3 LYS A 90 12.886 -1.162 6.841 1.00 73.33 H new ATOM 0 HE2 LYS A 90 12.052 -1.928 9.029 1.00 70.13 H new ATOM 0 HE3 LYS A 90 11.703 -3.517 8.377 1.00 70.13 H new ATOM 0 HZ1 LYS A 90 13.784 -3.545 9.548 1.00 32.25 H new ATOM 0 HZ2 LYS A 90 14.085 -3.781 7.894 1.00 32.25 H new ATOM 0 HZ3 LYS A 90 14.395 -2.271 8.606 1.00 32.25 H new ATOM 1528 N ARG A 91 8.821 2.181 7.714 1.00 44.34 N ATOM 1529 CA ARG A 91 8.417 3.330 8.533 1.00 14.13 C ATOM 1530 C ARG A 91 6.925 3.610 8.364 1.00 73.34 C ATOM 1531 O ARG A 91 6.198 3.611 9.348 1.00 12.42 O ATOM 1532 CB ARG A 91 9.235 4.594 8.147 1.00 42.42 C ATOM 1533 CG ARG A 91 8.732 5.912 8.786 1.00 33.10 C ATOM 1534 CD ARG A 91 9.506 7.142 8.280 1.00 35.24 C ATOM 1535 NE ARG A 91 9.497 7.231 6.800 1.00 63.32 N ATOM 1536 CZ ARG A 91 10.478 7.777 6.048 1.00 24.55 C ATOM 1537 NH1 ARG A 91 11.568 8.290 6.618 1.00 3.42 N ATOM 1538 NH2 ARG A 91 10.366 7.789 4.725 1.00 3.42 N ATOM 0 H ARG A 91 9.542 2.402 7.027 1.00 44.34 H new ATOM 0 HA ARG A 91 8.616 3.087 9.577 1.00 14.13 H new ATOM 0 HB2 ARG A 91 10.274 4.440 8.437 1.00 42.42 H new ATOM 0 HB3 ARG A 91 9.219 4.703 7.063 1.00 42.42 H new ATOM 0 HG2 ARG A 91 7.672 6.038 8.566 1.00 33.10 H new ATOM 0 HG3 ARG A 91 8.827 5.847 9.870 1.00 33.10 H new ATOM 0 HD2 ARG A 91 9.066 8.046 8.701 1.00 35.24 H new ATOM 0 HD3 ARG A 91 10.536 7.094 8.634 1.00 35.24 H new ATOM 0 HE ARG A 91 8.687 6.850 6.311 1.00 63.32 H new ATOM 0 HH11 ARG A 91 11.669 8.273 7.633 1.00 3.42 H new ATOM 0 HH12 ARG A 91 12.302 8.699 6.039 1.00 3.42 H new ATOM 0 HH21 ARG A 91 9.541 7.387 4.279 1.00 3.42 H new ATOM 0 HH22 ARG A 91 11.105 8.200 4.154 1.00 3.42 H new ATOM 1552 N TRP A 92 6.474 3.803 7.107 1.00 13.41 N ATOM 1553 CA TRP A 92 5.077 4.168 6.819 1.00 73.30 C ATOM 1554 C TRP A 92 4.080 3.111 7.289 1.00 30.14 C ATOM 1555 O TRP A 92 2.966 3.451 7.655 1.00 35.32 O ATOM 1556 CB TRP A 92 4.876 4.454 5.315 1.00 50.14 C ATOM 1557 CG TRP A 92 5.719 5.590 4.768 1.00 73.15 C ATOM 1558 CD1 TRP A 92 6.435 5.589 3.607 1.00 25.25 C ATOM 1559 CD2 TRP A 92 5.926 6.891 5.353 1.00 23.33 C ATOM 1560 NE1 TRP A 92 7.062 6.789 3.435 1.00 51.20 N ATOM 1561 CE2 TRP A 92 6.767 7.604 4.487 1.00 1.42 C ATOM 1562 CE3 TRP A 92 5.481 7.519 6.519 1.00 64.21 C ATOM 1563 CZ2 TRP A 92 7.170 8.906 4.744 1.00 64.40 C ATOM 1564 CZ3 TRP A 92 5.882 8.813 6.777 1.00 44.10 C ATOM 1565 CH2 TRP A 92 6.720 9.496 5.892 1.00 43.21 C ATOM 0 H TRP A 92 7.060 3.711 6.277 1.00 13.41 H new ATOM 0 HA TRP A 92 4.877 5.077 7.386 1.00 73.30 H new ATOM 0 HB2 TRP A 92 5.103 3.548 4.753 1.00 50.14 H new ATOM 0 HB3 TRP A 92 3.825 4.683 5.140 1.00 50.14 H new ATOM 0 HD1 TRP A 92 6.497 4.757 2.921 1.00 25.25 H new ATOM 0 HE1 TRP A 92 7.657 7.037 2.644 1.00 51.20 H new ATOM 0 HE3 TRP A 92 4.832 6.999 7.208 1.00 64.21 H new ATOM 0 HZ2 TRP A 92 7.817 9.436 4.061 1.00 64.40 H new ATOM 0 HZ3 TRP A 92 5.543 9.306 7.676 1.00 44.10 H new ATOM 0 HH2 TRP A 92 7.018 10.509 6.119 1.00 43.21 H new ATOM 1576 N ILE A 93 4.498 1.843 7.275 1.00 30.20 N ATOM 1577 CA ILE A 93 3.689 0.718 7.762 1.00 63.33 C ATOM 1578 C ILE A 93 3.505 0.822 9.289 1.00 51.02 C ATOM 1579 O ILE A 93 2.392 0.662 9.804 1.00 4.33 O ATOM 1580 CB ILE A 93 4.367 -0.639 7.334 1.00 12.14 C ATOM 1581 CG1 ILE A 93 4.275 -0.799 5.781 1.00 73.31 C ATOM 1582 CG2 ILE A 93 3.762 -1.863 8.060 1.00 54.34 C ATOM 1583 CD1 ILE A 93 5.011 -1.992 5.221 1.00 24.01 C ATOM 0 H ILE A 93 5.414 1.564 6.923 1.00 30.20 H new ATOM 0 HA ILE A 93 2.695 0.750 7.315 1.00 63.33 H new ATOM 0 HB ILE A 93 5.414 -0.600 7.634 1.00 12.14 H new ATOM 0 HG12 ILE A 93 3.225 -0.873 5.499 1.00 73.31 H new ATOM 0 HG13 ILE A 93 4.667 0.104 5.313 1.00 73.31 H new ATOM 0 HG21 ILE A 93 4.267 -2.770 7.727 1.00 54.34 H new ATOM 0 HG22 ILE A 93 3.893 -1.749 9.136 1.00 54.34 H new ATOM 0 HG23 ILE A 93 2.699 -1.934 7.830 1.00 54.34 H new ATOM 0 HD11 ILE A 93 4.890 -2.019 4.138 1.00 24.01 H new ATOM 0 HD12 ILE A 93 6.070 -1.914 5.465 1.00 24.01 H new ATOM 0 HD13 ILE A 93 4.605 -2.906 5.654 1.00 24.01 H new ATOM 1595 N LYS A 94 4.601 1.133 9.990 1.00 51.01 N ATOM 1596 CA LYS A 94 4.598 1.320 11.447 1.00 23.20 C ATOM 1597 C LYS A 94 3.732 2.546 11.850 1.00 40.44 C ATOM 1598 O LYS A 94 2.921 2.455 12.774 1.00 65.33 O ATOM 1599 CB LYS A 94 6.067 1.457 11.932 1.00 24.11 C ATOM 1600 CG LYS A 94 6.269 1.421 13.462 1.00 2.12 C ATOM 1601 CD LYS A 94 7.764 1.355 13.853 1.00 34.21 C ATOM 1602 CE LYS A 94 7.979 1.169 15.362 1.00 23.13 C ATOM 1603 NZ LYS A 94 9.422 1.014 15.710 1.00 12.33 N ATOM 0 H LYS A 94 5.518 1.263 9.563 1.00 51.01 H new ATOM 0 HA LYS A 94 4.147 0.454 11.932 1.00 23.20 H new ATOM 0 HB2 LYS A 94 6.654 0.654 11.487 1.00 24.11 H new ATOM 0 HB3 LYS A 94 6.470 2.396 11.552 1.00 24.11 H new ATOM 0 HG2 LYS A 94 5.818 2.308 13.907 1.00 2.12 H new ATOM 0 HG3 LYS A 94 5.749 0.557 13.875 1.00 2.12 H new ATOM 0 HD2 LYS A 94 8.238 0.531 13.319 1.00 34.21 H new ATOM 0 HD3 LYS A 94 8.260 2.271 13.531 1.00 34.21 H new ATOM 0 HE2 LYS A 94 7.569 2.027 15.894 1.00 23.13 H new ATOM 0 HE3 LYS A 94 7.429 0.291 15.700 1.00 23.13 H new ATOM 0 HZ1 LYS A 94 9.520 0.891 16.738 1.00 12.33 H new ATOM 0 HZ2 LYS A 94 9.809 0.180 15.223 1.00 12.33 H new ATOM 0 HZ3 LYS A 94 9.944 1.862 15.411 1.00 12.33 H new ATOM 1617 N GLU A 95 3.867 3.653 11.090 1.00 73.42 N ATOM 1618 CA GLU A 95 3.163 4.933 11.362 1.00 63.23 C ATOM 1619 C GLU A 95 1.660 4.833 11.042 1.00 24.34 C ATOM 1620 O GLU A 95 0.829 5.425 11.733 1.00 12.21 O ATOM 1621 CB GLU A 95 3.810 6.089 10.545 1.00 31.00 C ATOM 1622 CG GLU A 95 5.315 6.293 10.809 1.00 52.55 C ATOM 1623 CD GLU A 95 5.654 6.592 12.283 1.00 33.55 C ATOM 1624 OE1 GLU A 95 5.636 7.779 12.677 1.00 32.21 O ATOM 1625 OE2 GLU A 95 5.949 5.643 13.053 1.00 71.35 O ATOM 0 H GLU A 95 4.468 3.689 10.267 1.00 73.42 H new ATOM 0 HA GLU A 95 3.264 5.146 12.426 1.00 63.23 H new ATOM 0 HB2 GLU A 95 3.664 5.893 9.483 1.00 31.00 H new ATOM 0 HB3 GLU A 95 3.285 7.017 10.773 1.00 31.00 H new ATOM 0 HG2 GLU A 95 5.854 5.398 10.496 1.00 52.55 H new ATOM 0 HG3 GLU A 95 5.675 7.114 10.189 1.00 52.55 H new ATOM 1632 N PHE A 96 1.341 4.076 9.987 1.00 65.23 N ATOM 1633 CA PHE A 96 -0.046 3.823 9.539 1.00 74.43 C ATOM 1634 C PHE A 96 -0.794 2.958 10.563 1.00 25.30 C ATOM 1635 O PHE A 96 -2.004 3.120 10.776 1.00 20.41 O ATOM 1636 CB PHE A 96 0.001 3.129 8.161 1.00 21.22 C ATOM 1637 CG PHE A 96 -1.345 2.743 7.564 1.00 53.51 C ATOM 1638 CD1 PHE A 96 -2.202 3.710 7.046 1.00 51.41 C ATOM 1639 CD2 PHE A 96 -1.732 1.404 7.489 1.00 3.03 C ATOM 1640 CE1 PHE A 96 -3.404 3.346 6.485 1.00 32.51 C ATOM 1641 CE2 PHE A 96 -2.932 1.043 6.933 1.00 45.41 C ATOM 1642 CZ PHE A 96 -3.761 2.011 6.428 1.00 55.32 C ATOM 0 H PHE A 96 2.042 3.613 9.409 1.00 65.23 H new ATOM 0 HA PHE A 96 -0.585 4.767 9.452 1.00 74.43 H new ATOM 0 HB2 PHE A 96 0.511 3.790 7.460 1.00 21.22 H new ATOM 0 HB3 PHE A 96 0.609 2.229 8.250 1.00 21.22 H new ATOM 0 HD1 PHE A 96 -1.921 4.752 7.085 1.00 51.41 H new ATOM 0 HD2 PHE A 96 -1.075 0.639 7.876 1.00 3.03 H new ATOM 0 HE1 PHE A 96 -4.068 4.101 6.090 1.00 32.51 H new ATOM 0 HE2 PHE A 96 -3.222 0.003 6.893 1.00 45.41 H new ATOM 0 HZ PHE A 96 -4.703 1.728 5.981 1.00 55.32 H new ATOM 1652 N SER A 97 -0.048 2.033 11.182 1.00 3.43 N ATOM 1653 CA SER A 97 -0.559 1.179 12.255 1.00 64.32 C ATOM 1654 C SER A 97 -0.832 2.019 13.521 1.00 2.31 C ATOM 1655 O SER A 97 -1.756 1.720 14.284 1.00 50.34 O ATOM 1656 CB SER A 97 0.451 0.052 12.542 1.00 62.01 C ATOM 1657 OG SER A 97 -0.123 -0.981 13.331 1.00 12.40 O ATOM 0 H SER A 97 0.930 1.858 10.950 1.00 3.43 H new ATOM 0 HA SER A 97 -1.501 0.728 11.944 1.00 64.32 H new ATOM 0 HB2 SER A 97 0.808 -0.365 11.600 1.00 62.01 H new ATOM 0 HB3 SER A 97 1.319 0.464 13.057 1.00 62.01 H new ATOM 0 HG SER A 97 0.573 -1.400 13.879 1.00 12.40 H new