USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 85 ASN : amide:sc= 0.416 K(o=0.37,f=-0.44) USER MOD Set 1.2: A 95 MET CE :methyl 179:sc= -0.0438 (180deg=-0.0445) USER MOD Set 2.1: A 80 GLN : amide:sc= 1.36 K(o=2.6,f=0.063) USER MOD Set 2.2: A 102 THR OG1 : rot 121:sc= 1.2 USER MOD Set 3.1: A 38 GLN : amide:sc= 0.675 K(o=0.67,f=-0.14) USER MOD Set 3.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 30 THR OG1 : rot 178:sc= 1.77 USER MOD Set 4.2: A 63 TYR OH : rot 146:sc= 1.96 USER MOD Single : A 29 GLN : amide:sc= -0.538! X(o=-0.54!,f=-0.59) USER MOD Single : A 37 THR OG1 : rot 96:sc= 1.17 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 160:sc= 0.972 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 110:sc= 0.64 USER MOD Single : A 59 CYS SG : rot 23:sc= 0.067 USER MOD Single : A 62 MET CE :methyl -172:sc= -0.153 (180deg=-0.334) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -109:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.009) USER MOD Single : A 82 GLN : amide:sc= -0.0509 K(o=-0.051,f=-0.82) USER MOD Single : A 83 MET CE :methyl 173:sc=-0.00159 (180deg=-0.0629) USER MOD Single : A 86 GLN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 0.49 (180deg=0.479) USER MOD Single : A 96 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=-0.41) USER MOD Single : A 103 SER OG : rot 126:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 29 14.918 2.671 4.134 1.00 0.96 N ATOM 28 CA GLN A 29 14.113 1.710 3.355 1.00 0.79 C ATOM 29 C GLN A 29 14.515 0.252 3.683 1.00 0.68 C ATOM 30 O GLN A 29 15.402 0.004 4.508 1.00 0.77 O ATOM 31 CB GLN A 29 14.200 2.018 1.834 1.00 1.28 C ATOM 32 CG GLN A 29 14.211 3.519 1.480 1.00 0.91 C ATOM 33 CD GLN A 29 13.674 3.882 0.099 1.00 1.91 C ATOM 34 OE1 GLN A 29 14.396 4.246 -0.820 1.00 2.81 O ATOM 35 NE2 GLN A 29 12.381 3.894 -0.090 1.00 2.46 N ATOM 0 HA GLN A 29 13.068 1.823 3.645 1.00 0.79 H new ATOM 0 HB2 GLN A 29 15.104 1.558 1.435 1.00 1.28 H new ATOM 0 HB3 GLN A 29 13.355 1.547 1.333 1.00 1.28 H new ATOM 0 HG2 GLN A 29 13.625 4.053 2.228 1.00 0.91 H new ATOM 0 HG3 GLN A 29 15.235 3.883 1.557 1.00 0.91 H new ATOM 0 HE21 GLN A 29 11.754 3.596 0.657 1.00 2.46 H new ATOM 0 HE22 GLN A 29 11.999 4.201 -0.985 1.00 2.46 H new ATOM 44 N THR A 30 13.882 -0.722 3.028 1.00 0.67 N ATOM 45 CA THR A 30 14.261 -2.156 3.008 1.00 0.55 C ATOM 46 C THR A 30 14.368 -2.647 1.552 1.00 0.73 C ATOM 47 O THR A 30 14.180 -1.846 0.634 1.00 0.87 O ATOM 48 CB THR A 30 13.262 -3.029 3.784 1.00 0.49 C ATOM 49 OG1 THR A 30 11.976 -2.836 3.264 1.00 0.58 O ATOM 50 CG2 THR A 30 13.234 -2.720 5.276 1.00 0.51 C ATOM 0 H THR A 30 13.051 -0.535 2.467 1.00 0.67 H new ATOM 0 HA THR A 30 15.228 -2.248 3.502 1.00 0.55 H new ATOM 0 HB THR A 30 13.588 -4.062 3.667 1.00 0.49 H new ATOM 0 HG1 THR A 30 11.342 -3.414 3.737 1.00 0.58 H new ATOM 0 HG21 THR A 30 12.510 -3.369 5.768 1.00 0.51 H new ATOM 0 HG22 THR A 30 14.223 -2.891 5.702 1.00 0.51 H new ATOM 0 HG23 THR A 30 12.949 -1.679 5.427 1.00 0.51 H new ATOM 58 N GLU A 31 14.619 -3.937 1.282 1.00 0.88 N ATOM 59 CA GLU A 31 14.308 -4.517 -0.036 1.00 1.06 C ATOM 60 C GLU A 31 12.795 -4.450 -0.319 1.00 0.76 C ATOM 61 O GLU A 31 12.377 -4.152 -1.441 1.00 0.67 O ATOM 62 CB GLU A 31 14.724 -5.996 -0.084 1.00 1.53 C ATOM 63 CG GLU A 31 16.234 -6.259 -0.128 1.00 2.10 C ATOM 64 CD GLU A 31 16.504 -7.756 -0.340 1.00 3.37 C ATOM 65 OE1 GLU A 31 16.098 -8.576 0.521 1.00 4.61 O ATOM 66 OE2 GLU A 31 17.076 -8.139 -1.391 1.00 3.76 O ATOM 0 H GLU A 31 15.031 -4.592 1.947 1.00 0.88 H new ATOM 0 HA GLU A 31 14.857 -3.941 -0.781 1.00 1.06 H new ATOM 0 HB2 GLU A 31 14.311 -6.499 0.790 1.00 1.53 H new ATOM 0 HB3 GLU A 31 14.268 -6.455 -0.961 1.00 1.53 H new ATOM 0 HG2 GLU A 31 16.688 -5.682 -0.934 1.00 2.10 H new ATOM 0 HG3 GLU A 31 16.696 -5.926 0.802 1.00 2.10 H new ATOM 73 N GLY A 32 11.991 -4.707 0.722 1.00 0.68 N ATOM 74 CA GLY A 32 10.532 -4.757 0.689 1.00 0.58 C ATOM 75 C GLY A 32 9.892 -3.414 0.353 1.00 0.42 C ATOM 76 O GLY A 32 9.008 -3.359 -0.487 1.00 0.37 O ATOM 0 H GLY A 32 12.364 -4.894 1.653 1.00 0.68 H new ATOM 0 HA2 GLY A 32 10.217 -5.497 -0.047 1.00 0.58 H new ATOM 0 HA3 GLY A 32 10.165 -5.095 1.658 1.00 0.58 H new ATOM 80 N GLU A 33 10.360 -2.313 0.936 1.00 0.39 N ATOM 81 CA GLU A 33 9.814 -0.973 0.728 1.00 0.37 C ATOM 82 C GLU A 33 9.773 -0.576 -0.759 1.00 0.33 C ATOM 83 O GLU A 33 8.729 -0.199 -1.297 1.00 0.34 O ATOM 84 CB GLU A 33 10.695 -0.017 1.554 1.00 0.42 C ATOM 85 CG GLU A 33 9.926 1.122 2.202 1.00 0.48 C ATOM 86 CD GLU A 33 10.012 2.417 1.399 1.00 0.47 C ATOM 87 OE1 GLU A 33 10.581 3.381 1.960 1.00 1.25 O ATOM 88 OE2 GLU A 33 9.617 2.453 0.212 1.00 1.31 O ATOM 0 H GLU A 33 11.149 -2.328 1.582 1.00 0.39 H new ATOM 0 HA GLU A 33 8.774 -0.930 1.053 1.00 0.37 H new ATOM 0 HB2 GLU A 33 11.204 -0.587 2.331 1.00 0.42 H new ATOM 0 HB3 GLU A 33 11.467 0.400 0.907 1.00 0.42 H new ATOM 0 HG2 GLU A 33 8.880 0.834 2.311 1.00 0.48 H new ATOM 0 HG3 GLU A 33 10.315 1.294 3.206 1.00 0.48 H new ATOM 95 N LEU A 34 10.894 -0.784 -1.453 1.00 0.31 N ATOM 96 CA LEU A 34 11.080 -0.516 -2.880 1.00 0.31 C ATOM 97 C LEU A 34 10.213 -1.440 -3.723 1.00 0.29 C ATOM 98 O LEU A 34 9.462 -0.990 -4.585 1.00 0.30 O ATOM 99 CB LEU A 34 12.555 -0.769 -3.240 1.00 0.40 C ATOM 100 CG LEU A 34 13.556 -0.063 -2.326 1.00 0.32 C ATOM 101 CD1 LEU A 34 14.987 -0.432 -2.704 1.00 0.52 C ATOM 102 CD2 LEU A 34 13.382 1.447 -2.411 1.00 0.40 C ATOM 0 H LEU A 34 11.735 -1.161 -1.015 1.00 0.31 H new ATOM 0 HA LEU A 34 10.797 0.517 -3.082 1.00 0.31 H new ATOM 0 HB2 LEU A 34 12.746 -1.842 -3.208 1.00 0.40 H new ATOM 0 HB3 LEU A 34 12.727 -0.445 -4.266 1.00 0.40 H new ATOM 0 HG LEU A 34 13.365 -0.390 -1.304 1.00 0.32 H new ATOM 0 HD11 LEU A 34 15.683 0.082 -2.041 1.00 0.52 H new ATOM 0 HD12 LEU A 34 15.122 -1.509 -2.608 1.00 0.52 H new ATOM 0 HD13 LEU A 34 15.180 -0.133 -3.734 1.00 0.52 H new ATOM 0 HD21 LEU A 34 14.103 1.934 -1.754 1.00 0.40 H new ATOM 0 HD22 LEU A 34 13.547 1.775 -3.437 1.00 0.40 H new ATOM 0 HD23 LEU A 34 12.371 1.715 -2.103 1.00 0.40 H new ATOM 114 N ARG A 35 10.311 -2.735 -3.418 1.00 0.30 N ATOM 115 CA ARG A 35 9.594 -3.848 -4.060 1.00 0.34 C ATOM 116 C ARG A 35 8.088 -3.628 -4.034 1.00 0.31 C ATOM 117 O ARG A 35 7.425 -3.726 -5.068 1.00 0.36 O ATOM 118 CB ARG A 35 9.977 -5.127 -3.314 1.00 0.39 C ATOM 119 CG ARG A 35 9.182 -6.351 -3.786 1.00 0.44 C ATOM 120 CD ARG A 35 10.122 -7.390 -4.409 1.00 0.62 C ATOM 121 NE ARG A 35 11.025 -8.002 -3.405 1.00 1.45 N ATOM 122 CZ ARG A 35 12.347 -8.040 -3.413 1.00 2.35 C ATOM 123 NH1 ARG A 35 13.085 -7.475 -4.319 1.00 2.94 N ATOM 124 NH2 ARG A 35 12.988 -8.653 -2.468 1.00 3.22 N ATOM 0 H ARG A 35 10.928 -3.058 -2.673 1.00 0.30 H new ATOM 0 HA ARG A 35 9.875 -3.920 -5.111 1.00 0.34 H new ATOM 0 HB2 ARG A 35 11.042 -5.316 -3.450 1.00 0.39 H new ATOM 0 HB3 ARG A 35 9.813 -4.982 -2.246 1.00 0.39 H new ATOM 0 HG2 ARG A 35 8.648 -6.792 -2.945 1.00 0.44 H new ATOM 0 HG3 ARG A 35 8.432 -6.046 -4.515 1.00 0.44 H new ATOM 0 HD2 ARG A 35 9.531 -8.171 -4.888 1.00 0.62 H new ATOM 0 HD3 ARG A 35 10.717 -6.917 -5.190 1.00 0.62 H new ATOM 0 HE ARG A 35 10.570 -8.449 -2.609 1.00 1.45 H new ATOM 0 HH11 ARG A 35 12.649 -6.962 -5.085 1.00 2.94 H new ATOM 0 HH12 ARG A 35 14.101 -7.544 -4.265 1.00 2.94 H new ATOM 0 HH21 ARG A 35 12.473 -9.108 -1.715 1.00 3.22 H new ATOM 0 HH22 ARG A 35 14.008 -8.680 -2.478 1.00 3.22 H new ATOM 138 N VAL A 36 7.562 -3.309 -2.855 1.00 0.28 N ATOM 139 CA VAL A 36 6.151 -3.018 -2.634 1.00 0.26 C ATOM 140 C VAL A 36 5.799 -1.755 -3.414 1.00 0.26 C ATOM 141 O VAL A 36 4.831 -1.765 -4.174 1.00 0.27 O ATOM 142 CB VAL A 36 5.847 -2.835 -1.128 1.00 0.27 C ATOM 143 CG1 VAL A 36 4.426 -2.303 -0.894 1.00 0.35 C ATOM 144 CG2 VAL A 36 5.981 -4.152 -0.348 1.00 0.24 C ATOM 0 H VAL A 36 8.122 -3.244 -2.005 1.00 0.28 H new ATOM 0 HA VAL A 36 5.545 -3.855 -2.982 1.00 0.26 H new ATOM 0 HB VAL A 36 6.582 -2.115 -0.769 1.00 0.27 H new ATOM 0 HG11 VAL A 36 4.252 -2.188 0.176 1.00 0.35 H new ATOM 0 HG12 VAL A 36 4.314 -1.337 -1.385 1.00 0.35 H new ATOM 0 HG13 VAL A 36 3.702 -3.006 -1.306 1.00 0.35 H new ATOM 0 HG21 VAL A 36 5.759 -3.976 0.704 1.00 0.24 H new ATOM 0 HG22 VAL A 36 5.281 -4.885 -0.749 1.00 0.24 H new ATOM 0 HG23 VAL A 36 6.998 -4.531 -0.445 1.00 0.24 H new ATOM 154 N THR A 37 6.622 -0.699 -3.310 1.00 0.26 N ATOM 155 CA THR A 37 6.378 0.564 -4.017 1.00 0.26 C ATOM 156 C THR A 37 6.284 0.365 -5.526 1.00 0.25 C ATOM 157 O THR A 37 5.421 0.964 -6.159 1.00 0.28 O ATOM 158 CB THR A 37 7.439 1.629 -3.696 1.00 0.30 C ATOM 159 OG1 THR A 37 7.495 1.927 -2.326 1.00 0.34 O ATOM 160 CG2 THR A 37 7.206 2.970 -4.392 1.00 0.36 C ATOM 0 H THR A 37 7.467 -0.698 -2.739 1.00 0.26 H new ATOM 0 HA THR A 37 5.415 0.925 -3.655 1.00 0.26 H new ATOM 0 HB THR A 37 8.362 1.173 -4.055 1.00 0.30 H new ATOM 0 HG1 THR A 37 8.202 1.395 -1.904 1.00 0.34 H new ATOM 0 HG21 THR A 37 7.997 3.667 -4.114 1.00 0.36 H new ATOM 0 HG22 THR A 37 7.213 2.825 -5.472 1.00 0.36 H new ATOM 0 HG23 THR A 37 6.241 3.376 -4.087 1.00 0.36 H new ATOM 168 N GLN A 38 7.104 -0.515 -6.102 1.00 0.26 N ATOM 169 CA GLN A 38 7.096 -0.784 -7.540 1.00 0.27 C ATOM 170 C GLN A 38 5.763 -1.360 -8.024 1.00 0.26 C ATOM 171 O GLN A 38 5.280 -0.947 -9.083 1.00 0.36 O ATOM 172 CB GLN A 38 8.209 -1.770 -7.913 1.00 0.35 C ATOM 173 CG GLN A 38 9.662 -1.285 -7.794 1.00 0.61 C ATOM 174 CD GLN A 38 9.851 0.224 -7.853 1.00 0.67 C ATOM 175 OE1 GLN A 38 9.933 0.821 -8.919 1.00 1.69 O ATOM 176 NE2 GLN A 38 9.878 0.889 -6.722 1.00 0.64 N ATOM 0 H GLN A 38 7.792 -1.061 -5.584 1.00 0.26 H new ATOM 0 HA GLN A 38 7.256 0.178 -8.027 1.00 0.27 H new ATOM 0 HB2 GLN A 38 8.098 -2.654 -7.285 1.00 0.35 H new ATOM 0 HB3 GLN A 38 8.045 -2.087 -8.943 1.00 0.35 H new ATOM 0 HG2 GLN A 38 10.073 -1.650 -6.853 1.00 0.61 H new ATOM 0 HG3 GLN A 38 10.246 -1.739 -8.594 1.00 0.61 H new ATOM 0 HE21 GLN A 38 9.810 0.390 -5.835 1.00 0.64 H new ATOM 0 HE22 GLN A 38 9.967 1.905 -6.730 1.00 0.64 H new ATOM 185 N ILE A 39 5.162 -2.272 -7.247 1.00 0.23 N ATOM 186 CA ILE A 39 3.873 -2.881 -7.607 1.00 0.26 C ATOM 187 C ILE A 39 2.710 -1.939 -7.280 1.00 0.26 C ATOM 188 O ILE A 39 1.716 -1.912 -8.002 1.00 0.30 O ATOM 189 CB ILE A 39 3.702 -4.280 -6.977 1.00 0.31 C ATOM 190 CG1 ILE A 39 4.935 -5.155 -7.282 1.00 0.33 C ATOM 191 CG2 ILE A 39 2.416 -4.918 -7.532 1.00 0.40 C ATOM 192 CD1 ILE A 39 4.829 -6.592 -6.775 1.00 0.66 C ATOM 0 H ILE A 39 5.548 -2.605 -6.364 1.00 0.23 H new ATOM 0 HA ILE A 39 3.865 -3.034 -8.686 1.00 0.26 H new ATOM 0 HB ILE A 39 3.618 -4.195 -5.894 1.00 0.31 H new ATOM 0 HG12 ILE A 39 5.095 -5.174 -8.360 1.00 0.33 H new ATOM 0 HG13 ILE A 39 5.815 -4.690 -6.838 1.00 0.33 H new ATOM 0 HG21 ILE A 39 2.283 -5.908 -7.095 1.00 0.40 H new ATOM 0 HG22 ILE A 39 1.561 -4.292 -7.279 1.00 0.40 H new ATOM 0 HG23 ILE A 39 2.493 -5.007 -8.616 1.00 0.40 H new ATOM 0 HD11 ILE A 39 5.738 -7.136 -7.032 1.00 0.66 H new ATOM 0 HD12 ILE A 39 4.702 -6.587 -5.692 1.00 0.66 H new ATOM 0 HD13 ILE A 39 3.971 -7.079 -7.239 1.00 0.66 H new ATOM 204 N LEU A 40 2.843 -1.079 -6.264 1.00 0.25 N ATOM 205 CA LEU A 40 1.872 -0.002 -6.045 1.00 0.28 C ATOM 206 C LEU A 40 1.690 0.919 -7.265 1.00 0.30 C ATOM 207 O LEU A 40 0.551 1.242 -7.607 1.00 0.34 O ATOM 208 CB LEU A 40 2.265 0.822 -4.815 1.00 0.31 C ATOM 209 CG LEU A 40 2.051 0.120 -3.462 1.00 0.37 C ATOM 210 CD1 LEU A 40 2.158 1.174 -2.366 1.00 0.50 C ATOM 211 CD2 LEU A 40 0.709 -0.602 -3.318 1.00 0.29 C ATOM 0 H LEU A 40 3.605 -1.107 -5.587 1.00 0.25 H new ATOM 0 HA LEU A 40 0.909 -0.485 -5.878 1.00 0.28 H new ATOM 0 HB2 LEU A 40 3.316 1.096 -4.902 1.00 0.31 H new ATOM 0 HB3 LEU A 40 1.692 1.749 -4.820 1.00 0.31 H new ATOM 0 HG LEU A 40 2.815 -0.654 -3.387 1.00 0.37 H new ATOM 0 HD11 LEU A 40 2.010 0.704 -1.394 1.00 0.50 H new ATOM 0 HD12 LEU A 40 3.145 1.635 -2.400 1.00 0.50 H new ATOM 0 HD13 LEU A 40 1.395 1.937 -2.520 1.00 0.50 H new ATOM 0 HD21 LEU A 40 0.649 -1.066 -2.333 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -0.104 0.115 -3.431 1.00 0.29 H new ATOM 0 HD23 LEU A 40 0.625 -1.370 -4.087 1.00 0.29 H new ATOM 223 N LYS A 41 2.775 1.291 -7.961 1.00 0.32 N ATOM 224 CA LYS A 41 2.707 2.143 -9.171 1.00 0.38 C ATOM 225 C LYS A 41 1.898 1.521 -10.299 1.00 0.41 C ATOM 226 O LYS A 41 1.348 2.236 -11.131 1.00 0.51 O ATOM 227 CB LYS A 41 4.089 2.488 -9.741 1.00 0.41 C ATOM 228 CG LYS A 41 5.018 3.011 -8.658 1.00 0.52 C ATOM 229 CD LYS A 41 6.174 3.859 -9.201 1.00 0.86 C ATOM 230 CE LYS A 41 7.279 3.970 -8.139 1.00 1.27 C ATOM 231 NZ LYS A 41 8.570 4.408 -8.717 1.00 2.05 N ATOM 0 H LYS A 41 3.723 1.014 -7.707 1.00 0.32 H new ATOM 0 HA LYS A 41 2.213 3.048 -8.818 1.00 0.38 H new ATOM 0 HB2 LYS A 41 4.526 1.602 -10.202 1.00 0.41 H new ATOM 0 HB3 LYS A 41 3.984 3.237 -10.526 1.00 0.41 H new ATOM 0 HG2 LYS A 41 4.440 3.608 -7.952 1.00 0.52 H new ATOM 0 HG3 LYS A 41 5.427 2.167 -8.102 1.00 0.52 H new ATOM 0 HD2 LYS A 41 6.573 3.408 -10.109 1.00 0.86 H new ATOM 0 HD3 LYS A 41 5.814 4.852 -9.470 1.00 0.86 H new ATOM 0 HE2 LYS A 41 6.970 4.676 -7.368 1.00 1.27 H new ATOM 0 HE3 LYS A 41 7.410 3.004 -7.652 1.00 1.27 H new ATOM 0 HZ1 LYS A 41 9.285 4.469 -7.964 1.00 2.05 H new ATOM 0 HZ2 LYS A 41 8.880 3.722 -9.434 1.00 2.05 H new ATOM 0 HZ3 LYS A 41 8.453 5.342 -9.159 1.00 2.05 H new ATOM 245 N GLU A 42 1.870 0.195 -10.341 1.00 0.40 N ATOM 246 CA GLU A 42 1.267 -0.628 -11.344 1.00 0.43 C ATOM 247 C GLU A 42 -0.156 -1.056 -11.035 1.00 0.42 C ATOM 248 O GLU A 42 -0.974 -1.085 -11.959 1.00 0.50 O ATOM 249 CB GLU A 42 2.122 -1.860 -11.383 1.00 0.43 C ATOM 250 CG GLU A 42 3.469 -1.795 -12.061 1.00 0.54 C ATOM 251 CD GLU A 42 4.226 -3.140 -12.042 1.00 0.96 C ATOM 252 OE1 GLU A 42 5.202 -3.310 -12.818 1.00 2.04 O ATOM 253 OE2 GLU A 42 3.866 -4.069 -11.282 1.00 1.99 O ATOM 0 H GLU A 42 2.308 -0.363 -9.608 1.00 0.40 H new ATOM 0 HA GLU A 42 1.210 -0.067 -12.277 1.00 0.43 H new ATOM 0 HB2 GLU A 42 2.287 -2.179 -10.354 1.00 0.43 H new ATOM 0 HB3 GLU A 42 1.545 -2.645 -11.872 1.00 0.43 H new ATOM 0 HG2 GLU A 42 3.333 -1.477 -13.095 1.00 0.54 H new ATOM 0 HG3 GLU A 42 4.079 -1.036 -11.571 1.00 0.54 H new ATOM 260 N LYS A 43 -0.469 -1.360 -9.766 1.00 0.36 N ATOM 261 CA LYS A 43 -1.848 -1.608 -9.373 1.00 0.35 C ATOM 262 C LYS A 43 -2.652 -0.317 -9.315 1.00 0.34 C ATOM 263 O LYS A 43 -3.862 -0.379 -9.536 1.00 0.42 O ATOM 264 CB LYS A 43 -1.985 -2.347 -8.036 1.00 0.34 C ATOM 265 CG LYS A 43 -1.360 -3.729 -7.916 1.00 0.36 C ATOM 266 CD LYS A 43 -1.933 -4.729 -8.916 1.00 0.46 C ATOM 267 CE LYS A 43 -1.170 -6.053 -8.815 1.00 0.71 C ATOM 268 NZ LYS A 43 -1.746 -7.065 -9.723 1.00 1.19 N ATOM 0 H LYS A 43 0.211 -1.437 -9.009 1.00 0.36 H new ATOM 0 HA LYS A 43 -2.249 -2.260 -10.150 1.00 0.35 H new ATOM 0 HB2 LYS A 43 -1.552 -1.716 -7.260 1.00 0.34 H new ATOM 0 HB3 LYS A 43 -3.048 -2.441 -7.814 1.00 0.34 H new ATOM 0 HG2 LYS A 43 -0.283 -3.649 -8.066 1.00 0.36 H new ATOM 0 HG3 LYS A 43 -1.514 -4.105 -6.905 1.00 0.36 H new ATOM 0 HD2 LYS A 43 -2.992 -4.892 -8.716 1.00 0.46 H new ATOM 0 HD3 LYS A 43 -1.857 -4.331 -9.928 1.00 0.46 H new ATOM 0 HE2 LYS A 43 -0.121 -5.892 -9.062 1.00 0.71 H new ATOM 0 HE3 LYS A 43 -1.203 -6.419 -7.789 1.00 0.71 H new ATOM 0 HZ1 LYS A 43 -1.212 -7.953 -9.636 1.00 1.19 H new ATOM 0 HZ2 LYS A 43 -2.741 -7.233 -9.470 1.00 1.19 H new ATOM 0 HZ3 LYS A 43 -1.692 -6.723 -10.704 1.00 1.19 H new ATOM 282 N PHE A 44 -1.985 0.822 -9.066 1.00 0.28 N ATOM 283 CA PHE A 44 -2.622 2.134 -8.933 1.00 0.26 C ATOM 284 C PHE A 44 -2.007 3.318 -9.717 1.00 0.30 C ATOM 285 O PHE A 44 -1.830 4.402 -9.163 1.00 0.31 O ATOM 286 CB PHE A 44 -2.801 2.464 -7.431 1.00 0.22 C ATOM 287 CG PHE A 44 -3.427 1.377 -6.570 1.00 0.22 C ATOM 288 CD1 PHE A 44 -4.827 1.263 -6.521 1.00 1.56 C ATOM 289 CD2 PHE A 44 -2.629 0.486 -5.820 1.00 1.42 C ATOM 290 CE1 PHE A 44 -5.427 0.244 -5.762 1.00 1.57 C ATOM 291 CE2 PHE A 44 -3.227 -0.541 -5.068 1.00 1.42 C ATOM 292 CZ PHE A 44 -4.627 -0.664 -5.049 1.00 0.24 C ATOM 0 H PHE A 44 -0.972 0.853 -8.950 1.00 0.28 H new ATOM 0 HA PHE A 44 -3.584 2.023 -9.433 1.00 0.26 H new ATOM 0 HB2 PHE A 44 -1.823 2.708 -7.016 1.00 0.22 H new ATOM 0 HB3 PHE A 44 -3.415 3.361 -7.349 1.00 0.22 H new ATOM 0 HD1 PHE A 44 -5.443 1.961 -7.068 1.00 1.56 H new ATOM 0 HD2 PHE A 44 -1.554 0.594 -5.824 1.00 1.42 H new ATOM 0 HE1 PHE A 44 -6.503 0.159 -5.727 1.00 1.57 H new ATOM 0 HE2 PHE A 44 -2.614 -1.231 -4.508 1.00 1.42 H new ATOM 0 HZ PHE A 44 -5.089 -1.460 -4.484 1.00 0.24 H new ATOM 302 N PRO A 45 -1.782 3.199 -11.038 1.00 0.43 N ATOM 303 CA PRO A 45 -1.315 4.304 -11.891 1.00 0.55 C ATOM 304 C PRO A 45 -2.280 5.483 -11.971 1.00 0.58 C ATOM 305 O PRO A 45 -1.846 6.615 -12.212 1.00 0.74 O ATOM 306 CB PRO A 45 -1.040 3.679 -13.266 1.00 0.66 C ATOM 307 CG PRO A 45 -1.886 2.410 -13.266 1.00 0.64 C ATOM 308 CD PRO A 45 -1.848 1.979 -11.809 1.00 0.49 C ATOM 0 HA PRO A 45 -0.419 4.752 -11.462 1.00 0.55 H new ATOM 0 HB2 PRO A 45 -1.327 4.351 -14.075 1.00 0.66 H new ATOM 0 HB3 PRO A 45 0.018 3.454 -13.399 1.00 0.66 H new ATOM 0 HG2 PRO A 45 -2.904 2.603 -13.604 1.00 0.64 H new ATOM 0 HG3 PRO A 45 -1.471 1.647 -13.924 1.00 0.64 H new ATOM 0 HD2 PRO A 45 -2.734 1.400 -11.549 1.00 0.49 H new ATOM 0 HD3 PRO A 45 -0.984 1.345 -11.611 1.00 0.49 H new ATOM 316 N ARG A 46 -3.571 5.264 -11.696 1.00 0.50 N ATOM 317 CA ARG A 46 -4.561 6.342 -11.635 1.00 0.54 C ATOM 318 C ARG A 46 -4.369 7.299 -10.448 1.00 0.51 C ATOM 319 O ARG A 46 -4.903 8.409 -10.486 1.00 0.69 O ATOM 320 CB ARG A 46 -5.986 5.784 -11.638 1.00 0.71 C ATOM 321 CG ARG A 46 -6.415 5.226 -13.003 1.00 0.89 C ATOM 322 CD ARG A 46 -5.947 3.798 -13.317 1.00 2.31 C ATOM 323 NE ARG A 46 -6.229 2.853 -12.216 1.00 3.95 N ATOM 324 CZ ARG A 46 -5.693 1.658 -12.055 1.00 5.61 C ATOM 325 NH1 ARG A 46 -4.989 1.057 -12.961 1.00 6.26 N ATOM 326 NH2 ARG A 46 -5.799 1.049 -10.923 1.00 7.20 N ATOM 0 H ARG A 46 -3.956 4.338 -11.510 1.00 0.50 H new ATOM 0 HA ARG A 46 -4.400 6.933 -12.537 1.00 0.54 H new ATOM 0 HB2 ARG A 46 -6.062 4.995 -10.890 1.00 0.71 H new ATOM 0 HB3 ARG A 46 -6.678 6.572 -11.341 1.00 0.71 H new ATOM 0 HG2 ARG A 46 -7.503 5.252 -13.060 1.00 0.89 H new ATOM 0 HG3 ARG A 46 -6.039 5.891 -13.781 1.00 0.89 H new ATOM 0 HD2 ARG A 46 -6.439 3.450 -14.225 1.00 2.31 H new ATOM 0 HD3 ARG A 46 -4.876 3.807 -13.518 1.00 2.31 H new ATOM 0 HE ARG A 46 -6.903 3.154 -11.512 1.00 3.95 H new ATOM 0 HH11 ARG A 46 -4.822 1.509 -13.860 1.00 6.26 H new ATOM 0 HH12 ARG A 46 -4.601 0.132 -12.775 1.00 6.26 H new ATOM 0 HH21 ARG A 46 -6.298 1.491 -10.151 1.00 7.20 H new ATOM 0 HH22 ARG A 46 -5.384 0.125 -10.800 1.00 7.20 H new ATOM 340 N ALA A 47 -3.625 6.891 -9.419 1.00 0.38 N ATOM 341 CA ALA A 47 -3.544 7.548 -8.123 1.00 0.34 C ATOM 342 C ALA A 47 -3.124 9.022 -8.154 1.00 0.36 C ATOM 343 O ALA A 47 -2.339 9.466 -9.003 1.00 0.51 O ATOM 344 CB ALA A 47 -2.601 6.734 -7.232 1.00 0.43 C ATOM 0 H ALA A 47 -3.039 6.058 -9.473 1.00 0.38 H new ATOM 0 HA ALA A 47 -4.558 7.574 -7.723 1.00 0.34 H new ATOM 0 HB1 ALA A 47 -2.525 7.209 -6.254 1.00 0.43 H new ATOM 0 HB2 ALA A 47 -2.992 5.723 -7.116 1.00 0.43 H new ATOM 0 HB3 ALA A 47 -1.614 6.690 -7.692 1.00 0.43 H new ATOM 350 N THR A 48 -3.613 9.761 -7.160 1.00 0.29 N ATOM 351 CA THR A 48 -3.124 11.110 -6.820 1.00 0.35 C ATOM 352 C THR A 48 -1.989 11.058 -5.793 1.00 0.37 C ATOM 353 O THR A 48 -1.031 11.829 -5.912 1.00 0.60 O ATOM 354 CB THR A 48 -4.261 12.004 -6.323 1.00 0.60 C ATOM 355 OG1 THR A 48 -4.776 11.437 -5.150 1.00 0.79 O ATOM 356 CG2 THR A 48 -5.386 12.090 -7.355 1.00 0.78 C ATOM 0 H THR A 48 -4.370 9.442 -6.556 1.00 0.29 H new ATOM 0 HA THR A 48 -2.724 11.546 -7.736 1.00 0.35 H new ATOM 0 HB THR A 48 -3.874 13.008 -6.148 1.00 0.60 H new ATOM 0 HG1 THR A 48 -5.259 12.121 -4.641 1.00 0.79 H new ATOM 0 HG21 THR A 48 -6.180 12.732 -6.975 1.00 0.78 H new ATOM 0 HG22 THR A 48 -4.997 12.506 -8.284 1.00 0.78 H new ATOM 0 HG23 THR A 48 -5.784 11.093 -7.543 1.00 0.78 H new ATOM 364 N ALA A 49 -2.041 10.117 -4.841 1.00 0.31 N ATOM 365 CA ALA A 49 -0.968 9.848 -3.879 1.00 0.32 C ATOM 366 C ALA A 49 -0.544 8.368 -3.918 1.00 0.28 C ATOM 367 O ALA A 49 -1.418 7.503 -3.941 1.00 0.28 O ATOM 368 CB ALA A 49 -1.462 10.259 -2.485 1.00 0.32 C ATOM 0 H ALA A 49 -2.850 9.508 -4.717 1.00 0.31 H new ATOM 0 HA ALA A 49 -0.082 10.428 -4.137 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -0.679 10.068 -1.751 1.00 0.32 H new ATOM 0 HB2 ALA A 49 -1.708 11.321 -2.485 1.00 0.32 H new ATOM 0 HB3 ALA A 49 -2.349 9.681 -2.228 1.00 0.32 H new ATOM 374 N ILE A 50 0.766 8.071 -3.900 1.00 0.28 N ATOM 375 CA ILE A 50 1.311 6.704 -3.742 1.00 0.23 C ATOM 376 C ILE A 50 2.721 6.690 -3.132 1.00 0.29 C ATOM 377 O ILE A 50 3.693 7.111 -3.764 1.00 0.37 O ATOM 378 CB ILE A 50 1.336 5.879 -5.064 1.00 0.25 C ATOM 379 CG1 ILE A 50 1.543 6.742 -6.333 1.00 0.32 C ATOM 380 CG2 ILE A 50 0.101 4.972 -5.182 1.00 0.24 C ATOM 381 CD1 ILE A 50 1.806 5.928 -7.607 1.00 0.47 C ATOM 0 H ILE A 50 1.491 8.782 -3.996 1.00 0.28 H new ATOM 0 HA ILE A 50 0.613 6.229 -3.053 1.00 0.23 H new ATOM 0 HB ILE A 50 2.218 5.241 -5.002 1.00 0.25 H new ATOM 0 HG12 ILE A 50 0.659 7.362 -6.486 1.00 0.32 H new ATOM 0 HG13 ILE A 50 2.382 7.418 -6.167 1.00 0.32 H new ATOM 0 HG21 ILE A 50 0.150 4.411 -6.115 1.00 0.24 H new ATOM 0 HG22 ILE A 50 0.078 4.278 -4.342 1.00 0.24 H new ATOM 0 HG23 ILE A 50 -0.801 5.583 -5.173 1.00 0.24 H new ATOM 0 HD11 ILE A 50 1.940 6.605 -8.450 1.00 0.47 H new ATOM 0 HD12 ILE A 50 2.707 5.328 -7.476 1.00 0.47 H new ATOM 0 HD13 ILE A 50 0.958 5.271 -7.801 1.00 0.47 H new ATOM 393 N LYS A 51 2.840 6.138 -1.916 1.00 0.33 N ATOM 394 CA LYS A 51 4.091 6.027 -1.143 1.00 0.42 C ATOM 395 C LYS A 51 4.059 4.906 -0.093 1.00 0.44 C ATOM 396 O LYS A 51 2.990 4.528 0.388 1.00 0.42 O ATOM 397 CB LYS A 51 4.406 7.387 -0.510 1.00 0.52 C ATOM 398 CG LYS A 51 3.275 7.947 0.368 1.00 0.53 C ATOM 399 CD LYS A 51 3.401 9.460 0.518 1.00 0.73 C ATOM 400 CE LYS A 51 3.003 10.193 -0.774 1.00 0.87 C ATOM 401 NZ LYS A 51 3.052 11.660 -0.574 1.00 1.25 N ATOM 0 H LYS A 51 2.040 5.741 -1.423 1.00 0.33 H new ATOM 0 HA LYS A 51 4.889 5.747 -1.831 1.00 0.42 H new ATOM 0 HB2 LYS A 51 5.309 7.294 0.094 1.00 0.52 H new ATOM 0 HB3 LYS A 51 4.625 8.103 -1.302 1.00 0.52 H new ATOM 0 HG2 LYS A 51 2.310 7.700 -0.074 1.00 0.53 H new ATOM 0 HG3 LYS A 51 3.305 7.476 1.351 1.00 0.53 H new ATOM 0 HD2 LYS A 51 2.768 9.799 1.339 1.00 0.73 H new ATOM 0 HD3 LYS A 51 4.428 9.716 0.780 1.00 0.73 H new ATOM 0 HE2 LYS A 51 3.675 9.908 -1.583 1.00 0.87 H new ATOM 0 HE3 LYS A 51 1.999 9.894 -1.074 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 2.781 12.140 -1.456 1.00 1.25 H new ATOM 0 HZ2 LYS A 51 2.393 11.929 0.184 1.00 1.25 H new ATOM 0 HZ3 LYS A 51 4.017 11.942 -0.309 1.00 1.25 H new ATOM 415 N VAL A 52 5.245 4.402 0.257 1.00 0.50 N ATOM 416 CA VAL A 52 5.521 3.359 1.269 1.00 0.44 C ATOM 417 C VAL A 52 6.656 3.843 2.171 1.00 0.44 C ATOM 418 O VAL A 52 7.608 4.450 1.681 1.00 0.67 O ATOM 419 CB VAL A 52 5.967 2.024 0.624 1.00 0.51 C ATOM 420 CG1 VAL A 52 6.029 0.858 1.623 1.00 0.49 C ATOM 421 CG2 VAL A 52 5.080 1.574 -0.539 1.00 0.58 C ATOM 0 H VAL A 52 6.103 4.730 -0.186 1.00 0.50 H new ATOM 0 HA VAL A 52 4.600 3.185 1.826 1.00 0.44 H new ATOM 0 HB VAL A 52 6.966 2.254 0.254 1.00 0.51 H new ATOM 0 HG11 VAL A 52 6.348 -0.047 1.106 1.00 0.49 H new ATOM 0 HG12 VAL A 52 6.741 1.094 2.414 1.00 0.49 H new ATOM 0 HG13 VAL A 52 5.042 0.699 2.058 1.00 0.49 H new ATOM 0 HG21 VAL A 52 5.455 0.632 -0.939 1.00 0.58 H new ATOM 0 HG22 VAL A 52 4.058 1.437 -0.185 1.00 0.58 H new ATOM 0 HG23 VAL A 52 5.094 2.332 -1.322 1.00 0.58 H new ATOM 431 N THR A 53 6.594 3.545 3.468 1.00 0.28 N ATOM 432 CA THR A 53 7.638 3.858 4.455 1.00 0.22 C ATOM 433 C THR A 53 7.884 2.668 5.363 1.00 0.22 C ATOM 434 O THR A 53 6.978 2.225 6.058 1.00 0.32 O ATOM 435 CB THR A 53 7.213 5.081 5.297 1.00 0.33 C ATOM 436 OG1 THR A 53 6.927 6.186 4.463 1.00 0.50 O ATOM 437 CG2 THR A 53 8.313 5.534 6.254 1.00 0.51 C ATOM 0 H THR A 53 5.793 3.064 3.878 1.00 0.28 H new ATOM 0 HA THR A 53 8.562 4.089 3.925 1.00 0.22 H new ATOM 0 HB THR A 53 6.335 4.764 5.860 1.00 0.33 H new ATOM 0 HG1 THR A 53 6.658 6.951 5.014 1.00 0.50 H new ATOM 0 HG21 THR A 53 7.967 6.396 6.824 1.00 0.51 H new ATOM 0 HG22 THR A 53 8.558 4.721 6.938 1.00 0.51 H new ATOM 0 HG23 THR A 53 9.201 5.808 5.684 1.00 0.51 H new ATOM 445 N ASP A 54 9.114 2.162 5.383 1.00 0.23 N ATOM 446 CA ASP A 54 9.567 1.178 6.368 1.00 0.27 C ATOM 447 C ASP A 54 9.694 1.841 7.746 1.00 0.37 C ATOM 448 O ASP A 54 10.356 2.871 7.918 1.00 0.46 O ATOM 449 CB ASP A 54 10.921 0.599 5.911 1.00 0.27 C ATOM 450 CG ASP A 54 11.670 -0.096 7.055 1.00 0.52 C ATOM 451 OD1 ASP A 54 11.059 -0.932 7.751 1.00 1.41 O ATOM 452 OD2 ASP A 54 12.848 0.257 7.291 1.00 1.91 O ATOM 0 H ASP A 54 9.834 2.425 4.710 1.00 0.23 H new ATOM 0 HA ASP A 54 8.842 0.368 6.447 1.00 0.27 H new ATOM 0 HB2 ASP A 54 10.755 -0.113 5.102 1.00 0.27 H new ATOM 0 HB3 ASP A 54 11.540 1.401 5.508 1.00 0.27 H new ATOM 457 N ILE A 55 9.071 1.201 8.729 1.00 0.46 N ATOM 458 CA ILE A 55 9.044 1.587 10.144 1.00 0.60 C ATOM 459 C ILE A 55 9.405 0.367 11.021 1.00 0.64 C ATOM 460 O ILE A 55 8.915 0.198 12.140 1.00 0.72 O ATOM 461 CB ILE A 55 7.708 2.308 10.470 1.00 0.70 C ATOM 462 CG1 ILE A 55 6.470 1.421 10.198 1.00 0.69 C ATOM 463 CG2 ILE A 55 7.615 3.630 9.677 1.00 0.68 C ATOM 464 CD1 ILE A 55 5.124 2.157 10.142 1.00 0.74 C ATOM 0 H ILE A 55 8.539 0.349 8.554 1.00 0.46 H new ATOM 0 HA ILE A 55 9.809 2.327 10.379 1.00 0.60 H new ATOM 0 HB ILE A 55 7.708 2.524 11.538 1.00 0.70 H new ATOM 0 HG12 ILE A 55 6.619 0.901 9.251 1.00 0.69 H new ATOM 0 HG13 ILE A 55 6.414 0.658 10.975 1.00 0.69 H new ATOM 0 HG21 ILE A 55 6.675 4.130 9.911 1.00 0.68 H new ATOM 0 HG22 ILE A 55 8.448 4.278 9.950 1.00 0.68 H new ATOM 0 HG23 ILE A 55 7.656 3.417 8.609 1.00 0.68 H new ATOM 0 HD11 ILE A 55 4.326 1.441 9.946 1.00 0.74 H new ATOM 0 HD12 ILE A 55 4.941 2.653 11.095 1.00 0.74 H new ATOM 0 HD13 ILE A 55 5.148 2.900 9.345 1.00 0.74 H new ATOM 476 N SER A 56 10.252 -0.512 10.467 1.00 0.60 N ATOM 477 CA SER A 56 10.636 -1.837 10.959 1.00 0.57 C ATOM 478 C SER A 56 12.137 -2.076 10.740 1.00 0.56 C ATOM 479 O SER A 56 12.575 -2.976 10.023 1.00 0.57 O ATOM 480 CB SER A 56 9.683 -2.852 10.331 1.00 0.67 C ATOM 481 OG SER A 56 9.728 -4.131 10.936 1.00 1.32 O ATOM 0 H SER A 56 10.724 -0.293 9.590 1.00 0.60 H new ATOM 0 HA SER A 56 10.525 -1.939 12.038 1.00 0.57 H new ATOM 0 HB2 SER A 56 8.665 -2.467 10.393 1.00 0.67 H new ATOM 0 HB3 SER A 56 9.921 -2.953 9.272 1.00 0.67 H new ATOM 0 HG SER A 56 8.897 -4.288 11.430 1.00 1.32 H new ATOM 487 N GLY A 57 12.962 -1.241 11.377 1.00 0.68 N ATOM 488 CA GLY A 57 14.406 -1.116 11.132 1.00 0.79 C ATOM 489 C GLY A 57 15.296 -2.341 11.402 1.00 0.88 C ATOM 490 O GLY A 57 16.490 -2.285 11.115 1.00 1.25 O ATOM 0 H GLY A 57 12.632 -0.608 12.106 1.00 0.68 H new ATOM 0 HA2 GLY A 57 14.543 -0.827 10.090 1.00 0.79 H new ATOM 0 HA3 GLY A 57 14.778 -0.293 11.742 1.00 0.79 H new ATOM 494 N GLY A 58 14.755 -3.451 11.912 1.00 0.73 N ATOM 495 CA GLY A 58 15.479 -4.717 12.130 1.00 0.93 C ATOM 496 C GLY A 58 14.689 -5.985 11.800 1.00 0.77 C ATOM 497 O GLY A 58 15.102 -7.096 12.147 1.00 0.92 O ATOM 0 H GLY A 58 13.776 -3.500 12.194 1.00 0.73 H new ATOM 0 HA2 GLY A 58 16.387 -4.706 11.526 1.00 0.93 H new ATOM 0 HA3 GLY A 58 15.791 -4.764 13.173 1.00 0.93 H new ATOM 501 N CYS A 59 13.556 -5.823 11.124 1.00 0.72 N ATOM 502 CA CYS A 59 12.608 -6.884 10.776 1.00 0.98 C ATOM 503 C CYS A 59 11.981 -6.660 9.388 1.00 0.94 C ATOM 504 O CYS A 59 11.701 -7.616 8.659 1.00 1.18 O ATOM 505 CB CYS A 59 11.522 -6.871 11.861 1.00 1.35 C ATOM 506 SG CYS A 59 12.053 -7.768 13.347 1.00 2.91 S ATOM 0 H CYS A 59 13.257 -4.908 10.787 1.00 0.72 H new ATOM 0 HA CYS A 59 13.120 -7.845 10.729 1.00 0.98 H new ATOM 0 HB2 CYS A 59 11.281 -5.841 12.124 1.00 1.35 H new ATOM 0 HB3 CYS A 59 10.610 -7.322 11.469 1.00 1.35 H new ATOM 0 HG CYS A 59 13.352 -7.813 13.386 1.00 2.91 H new ATOM 512 N GLY A 60 11.761 -5.399 9.008 1.00 0.71 N ATOM 513 CA GLY A 60 11.127 -4.959 7.767 1.00 0.61 C ATOM 514 C GLY A 60 9.761 -5.612 7.522 1.00 0.63 C ATOM 515 O GLY A 60 9.468 -6.094 6.424 1.00 0.67 O ATOM 0 H GLY A 60 12.038 -4.612 9.595 1.00 0.71 H new ATOM 0 HA2 GLY A 60 11.005 -3.876 7.793 1.00 0.61 H new ATOM 0 HA3 GLY A 60 11.786 -5.186 6.929 1.00 0.61 H new ATOM 519 N ALA A 61 8.961 -5.695 8.583 1.00 0.71 N ATOM 520 CA ALA A 61 7.636 -6.309 8.625 1.00 0.78 C ATOM 521 C ALA A 61 6.510 -5.265 8.722 1.00 0.74 C ATOM 522 O ALA A 61 5.399 -5.487 8.238 1.00 0.87 O ATOM 523 CB ALA A 61 7.629 -7.224 9.849 1.00 0.94 C ATOM 0 H ALA A 61 9.236 -5.314 9.488 1.00 0.71 H new ATOM 0 HA ALA A 61 7.448 -6.861 7.704 1.00 0.78 H new ATOM 0 HB1 ALA A 61 6.658 -7.713 9.932 1.00 0.94 H new ATOM 0 HB2 ALA A 61 8.408 -7.979 9.743 1.00 0.94 H new ATOM 0 HB3 ALA A 61 7.816 -6.633 10.746 1.00 0.94 H new ATOM 529 N MET A 62 6.808 -4.126 9.347 1.00 0.79 N ATOM 530 CA MET A 62 5.911 -3.001 9.572 1.00 0.78 C ATOM 531 C MET A 62 6.227 -1.877 8.587 1.00 0.72 C ATOM 532 O MET A 62 7.369 -1.421 8.500 1.00 0.72 O ATOM 533 CB MET A 62 6.047 -2.540 11.040 1.00 0.85 C ATOM 534 CG MET A 62 4.800 -2.797 11.885 1.00 1.03 C ATOM 535 SD MET A 62 4.870 -2.261 13.622 1.00 2.17 S ATOM 536 CE MET A 62 6.495 -2.865 14.152 1.00 1.47 C ATOM 0 H MET A 62 7.738 -3.958 9.731 1.00 0.79 H new ATOM 0 HA MET A 62 4.876 -3.298 9.400 1.00 0.78 H new ATOM 0 HB2 MET A 62 6.895 -3.052 11.495 1.00 0.85 H new ATOM 0 HB3 MET A 62 6.273 -1.474 11.057 1.00 0.85 H new ATOM 0 HG2 MET A 62 3.956 -2.298 11.408 1.00 1.03 H new ATOM 0 HG3 MET A 62 4.590 -3.866 11.866 1.00 1.03 H new ATOM 0 HE1 MET A 62 6.601 -2.728 15.228 1.00 1.47 H new ATOM 0 HE2 MET A 62 6.586 -3.924 13.910 1.00 1.47 H new ATOM 0 HE3 MET A 62 7.277 -2.307 13.637 1.00 1.47 H new ATOM 546 N TYR A 63 5.203 -1.423 7.865 1.00 0.62 N ATOM 547 CA TYR A 63 5.300 -0.332 6.902 1.00 0.51 C ATOM 548 C TYR A 63 4.075 0.583 7.003 1.00 0.51 C ATOM 549 O TYR A 63 2.971 0.139 7.317 1.00 0.68 O ATOM 550 CB TYR A 63 5.434 -0.868 5.466 1.00 0.52 C ATOM 551 CG TYR A 63 6.635 -1.735 5.148 1.00 0.54 C ATOM 552 CD1 TYR A 63 7.800 -1.189 4.578 1.00 1.75 C ATOM 553 CD2 TYR A 63 6.550 -3.122 5.360 1.00 1.92 C ATOM 554 CE1 TYR A 63 8.902 -2.020 4.298 1.00 1.72 C ATOM 555 CE2 TYR A 63 7.621 -3.964 5.021 1.00 1.93 C ATOM 556 CZ TYR A 63 8.820 -3.410 4.537 1.00 0.45 C ATOM 557 OH TYR A 63 9.890 -4.221 4.326 1.00 0.45 O ATOM 0 H TYR A 63 4.263 -1.814 7.937 1.00 0.62 H new ATOM 0 HA TYR A 63 6.195 0.242 7.140 1.00 0.51 H new ATOM 0 HB2 TYR A 63 4.536 -1.442 5.237 1.00 0.52 H new ATOM 0 HB3 TYR A 63 5.448 -0.014 4.789 1.00 0.52 H new ATOM 0 HD1 TYR A 63 7.849 -0.133 4.355 1.00 1.75 H new ATOM 0 HD2 TYR A 63 5.652 -3.544 5.788 1.00 1.92 H new ATOM 0 HE1 TYR A 63 9.811 -1.594 3.900 1.00 1.72 H new ATOM 0 HE2 TYR A 63 7.525 -5.034 5.131 1.00 1.93 H new ATOM 0 HH TYR A 63 9.887 -4.945 4.986 1.00 0.45 H new ATOM 567 N GLU A 64 4.270 1.857 6.684 1.00 0.36 N ATOM 568 CA GLU A 64 3.229 2.870 6.533 1.00 0.44 C ATOM 569 C GLU A 64 3.003 3.155 5.033 1.00 0.61 C ATOM 570 O GLU A 64 3.952 3.500 4.327 1.00 0.91 O ATOM 571 CB GLU A 64 3.655 4.108 7.343 1.00 0.66 C ATOM 572 CG GLU A 64 2.752 5.300 7.108 1.00 0.54 C ATOM 573 CD GLU A 64 3.043 6.472 8.054 1.00 0.72 C ATOM 574 OE1 GLU A 64 2.556 6.498 9.213 1.00 2.04 O ATOM 575 OE2 GLU A 64 3.741 7.426 7.638 1.00 1.25 O ATOM 0 H GLU A 64 5.204 2.231 6.515 1.00 0.36 H new ATOM 0 HA GLU A 64 2.268 2.534 6.923 1.00 0.44 H new ATOM 0 HB2 GLU A 64 3.654 3.860 8.405 1.00 0.66 H new ATOM 0 HB3 GLU A 64 4.678 4.375 7.079 1.00 0.66 H new ATOM 0 HG2 GLU A 64 2.865 5.636 6.077 1.00 0.54 H new ATOM 0 HG3 GLU A 64 1.714 4.991 7.230 1.00 0.54 H new ATOM 582 N ILE A 65 1.773 3.022 4.526 1.00 0.45 N ATOM 583 CA ILE A 65 1.412 3.196 3.104 1.00 0.43 C ATOM 584 C ILE A 65 0.302 4.237 2.953 1.00 0.40 C ATOM 585 O ILE A 65 -0.711 4.162 3.648 1.00 0.51 O ATOM 586 CB ILE A 65 0.991 1.843 2.470 1.00 0.44 C ATOM 587 CG1 ILE A 65 2.214 0.902 2.423 1.00 0.54 C ATOM 588 CG2 ILE A 65 0.403 2.027 1.053 1.00 0.44 C ATOM 589 CD1 ILE A 65 1.973 -0.469 1.779 1.00 0.65 C ATOM 0 H ILE A 65 0.971 2.782 5.108 1.00 0.45 H new ATOM 0 HA ILE A 65 2.292 3.557 2.572 1.00 0.43 H new ATOM 0 HB ILE A 65 0.207 1.406 3.089 1.00 0.44 H new ATOM 0 HG12 ILE A 65 3.014 1.403 1.879 1.00 0.54 H new ATOM 0 HG13 ILE A 65 2.570 0.747 3.442 1.00 0.54 H new ATOM 0 HG21 ILE A 65 0.122 1.055 0.647 1.00 0.44 H new ATOM 0 HG22 ILE A 65 -0.478 2.667 1.105 1.00 0.44 H new ATOM 0 HG23 ILE A 65 1.149 2.488 0.406 1.00 0.44 H new ATOM 0 HD11 ILE A 65 2.896 -1.048 1.799 1.00 0.65 H new ATOM 0 HD12 ILE A 65 1.200 -1.001 2.334 1.00 0.65 H new ATOM 0 HD13 ILE A 65 1.651 -0.334 0.746 1.00 0.65 H new ATOM 601 N LYS A 66 0.438 5.147 1.979 1.00 0.27 N ATOM 602 CA LYS A 66 -0.588 6.130 1.622 1.00 0.20 C ATOM 603 C LYS A 66 -0.896 6.061 0.130 1.00 0.16 C ATOM 604 O LYS A 66 0.007 6.240 -0.689 1.00 0.21 O ATOM 605 CB LYS A 66 -0.122 7.525 2.075 1.00 0.35 C ATOM 606 CG LYS A 66 -1.290 8.505 2.219 1.00 1.97 C ATOM 607 CD LYS A 66 -0.773 9.939 2.400 1.00 2.64 C ATOM 608 CE LYS A 66 -1.905 10.853 2.876 1.00 4.15 C ATOM 609 NZ LYS A 66 -1.477 12.267 2.954 1.00 5.12 N ATOM 0 H LYS A 66 1.280 5.220 1.408 1.00 0.27 H new ATOM 0 HA LYS A 66 -1.523 5.908 2.136 1.00 0.20 H new ATOM 0 HB2 LYS A 66 0.399 7.440 3.029 1.00 0.35 H new ATOM 0 HB3 LYS A 66 0.594 7.919 1.354 1.00 0.35 H new ATOM 0 HG2 LYS A 66 -1.928 8.451 1.337 1.00 1.97 H new ATOM 0 HG3 LYS A 66 -1.905 8.224 3.074 1.00 1.97 H new ATOM 0 HD2 LYS A 66 0.042 9.951 3.123 1.00 2.64 H new ATOM 0 HD3 LYS A 66 -0.369 10.309 1.458 1.00 2.64 H new ATOM 0 HE2 LYS A 66 -2.752 10.767 2.195 1.00 4.15 H new ATOM 0 HE3 LYS A 66 -2.250 10.524 3.856 1.00 4.15 H new ATOM 0 HZ1 LYS A 66 -2.272 12.853 3.280 1.00 5.12 H new ATOM 0 HZ2 LYS A 66 -0.686 12.354 3.623 1.00 5.12 H new ATOM 0 HZ3 LYS A 66 -1.172 12.590 2.014 1.00 5.12 H new ATOM 623 N ILE A 67 -2.159 5.784 -0.204 1.00 0.16 N ATOM 624 CA ILE A 67 -2.707 5.728 -1.558 1.00 0.19 C ATOM 625 C ILE A 67 -3.918 6.669 -1.646 1.00 0.22 C ATOM 626 O ILE A 67 -4.596 6.906 -0.651 1.00 0.28 O ATOM 627 CB ILE A 67 -3.068 4.291 -1.992 1.00 0.21 C ATOM 628 CG1 ILE A 67 -1.949 3.315 -1.571 1.00 0.19 C ATOM 629 CG2 ILE A 67 -3.353 4.246 -3.503 1.00 0.24 C ATOM 630 CD1 ILE A 67 -1.678 2.112 -2.474 1.00 0.26 C ATOM 0 H ILE A 67 -2.865 5.582 0.504 1.00 0.16 H new ATOM 0 HA ILE A 67 -1.939 6.060 -2.256 1.00 0.19 H new ATOM 0 HB ILE A 67 -3.980 3.974 -1.487 1.00 0.21 H new ATOM 0 HG12 ILE A 67 -1.023 3.884 -1.484 1.00 0.19 H new ATOM 0 HG13 ILE A 67 -2.188 2.940 -0.576 1.00 0.19 H new ATOM 0 HG21 ILE A 67 -3.606 3.227 -3.795 1.00 0.24 H new ATOM 0 HG22 ILE A 67 -4.187 4.908 -3.736 1.00 0.24 H new ATOM 0 HG23 ILE A 67 -2.468 4.571 -4.050 1.00 0.24 H new ATOM 0 HD11 ILE A 67 -0.868 1.517 -2.053 1.00 0.26 H new ATOM 0 HD12 ILE A 67 -2.578 1.501 -2.546 1.00 0.26 H new ATOM 0 HD13 ILE A 67 -1.395 2.459 -3.468 1.00 0.26 H new ATOM 642 N GLU A 68 -4.247 7.180 -2.822 1.00 0.21 N ATOM 643 CA GLU A 68 -5.516 7.860 -3.113 1.00 0.21 C ATOM 644 C GLU A 68 -5.779 7.766 -4.608 1.00 0.20 C ATOM 645 O GLU A 68 -4.869 8.032 -5.384 1.00 0.22 O ATOM 646 CB GLU A 68 -5.379 9.311 -2.670 1.00 0.25 C ATOM 647 CG GLU A 68 -6.597 10.196 -2.979 1.00 0.32 C ATOM 648 CD GLU A 68 -6.456 11.597 -2.383 1.00 0.42 C ATOM 649 OE1 GLU A 68 -6.247 12.573 -3.145 1.00 1.51 O ATOM 650 OE2 GLU A 68 -6.631 11.750 -1.147 1.00 1.63 O ATOM 0 H GLU A 68 -3.625 7.136 -3.629 1.00 0.21 H new ATOM 0 HA GLU A 68 -6.352 7.402 -2.584 1.00 0.21 H new ATOM 0 HB2 GLU A 68 -5.195 9.333 -1.596 1.00 0.25 H new ATOM 0 HB3 GLU A 68 -4.502 9.742 -3.153 1.00 0.25 H new ATOM 0 HG2 GLU A 68 -6.724 10.273 -4.059 1.00 0.32 H new ATOM 0 HG3 GLU A 68 -7.497 9.724 -2.585 1.00 0.32 H new ATOM 657 N SER A 69 -6.974 7.345 -5.027 1.00 0.19 N ATOM 658 CA SER A 69 -7.268 7.113 -6.448 1.00 0.21 C ATOM 659 C SER A 69 -8.758 7.053 -6.727 1.00 0.24 C ATOM 660 O SER A 69 -9.519 6.548 -5.906 1.00 0.27 O ATOM 661 CB SER A 69 -6.676 5.779 -6.898 1.00 0.30 C ATOM 662 OG SER A 69 -6.438 5.774 -8.291 1.00 0.66 O ATOM 0 H SER A 69 -7.758 7.156 -4.402 1.00 0.19 H new ATOM 0 HA SER A 69 -6.830 7.951 -6.990 1.00 0.21 H new ATOM 0 HB2 SER A 69 -5.743 5.593 -6.366 1.00 0.30 H new ATOM 0 HB3 SER A 69 -7.358 4.969 -6.639 1.00 0.30 H new ATOM 0 HG SER A 69 -7.082 5.181 -8.731 1.00 0.66 H new ATOM 668 N GLU A 70 -9.158 7.512 -7.911 1.00 0.31 N ATOM 669 CA GLU A 70 -10.551 7.638 -8.372 1.00 0.36 C ATOM 670 C GLU A 70 -11.368 6.335 -8.303 1.00 0.39 C ATOM 671 O GLU A 70 -12.592 6.382 -8.198 1.00 0.53 O ATOM 672 CB GLU A 70 -10.558 8.165 -9.807 1.00 0.52 C ATOM 673 CG GLU A 70 -10.571 9.691 -9.889 1.00 1.42 C ATOM 674 CD GLU A 70 -10.710 10.186 -11.329 1.00 1.97 C ATOM 675 OE1 GLU A 70 -11.828 10.153 -11.897 1.00 2.36 O ATOM 676 OE2 GLU A 70 -9.707 10.671 -11.912 1.00 2.95 O ATOM 0 H GLU A 70 -8.490 7.824 -8.616 1.00 0.31 H new ATOM 0 HA GLU A 70 -11.036 8.332 -7.686 1.00 0.36 H new ATOM 0 HB2 GLU A 70 -9.679 7.787 -10.330 1.00 0.52 H new ATOM 0 HB3 GLU A 70 -11.432 7.772 -10.327 1.00 0.52 H new ATOM 0 HG2 GLU A 70 -11.396 10.079 -9.291 1.00 1.42 H new ATOM 0 HG3 GLU A 70 -9.651 10.085 -9.457 1.00 1.42 H new ATOM 683 N GLU A 71 -10.721 5.166 -8.330 1.00 0.35 N ATOM 684 CA GLU A 71 -11.414 3.883 -8.171 1.00 0.42 C ATOM 685 C GLU A 71 -11.959 3.608 -6.769 1.00 0.40 C ATOM 686 O GLU A 71 -12.823 2.746 -6.621 1.00 0.52 O ATOM 687 CB GLU A 71 -10.533 2.705 -8.582 1.00 0.57 C ATOM 688 CG GLU A 71 -9.234 2.641 -7.774 1.00 0.25 C ATOM 689 CD GLU A 71 -8.051 2.911 -8.701 1.00 0.88 C ATOM 690 OE1 GLU A 71 -8.018 3.989 -9.346 1.00 2.51 O ATOM 691 OE2 GLU A 71 -7.183 2.022 -8.825 1.00 1.23 O ATOM 0 H GLU A 71 -9.713 5.081 -8.461 1.00 0.35 H new ATOM 0 HA GLU A 71 -12.271 3.978 -8.838 1.00 0.42 H new ATOM 0 HB2 GLU A 71 -11.087 1.776 -8.449 1.00 0.57 H new ATOM 0 HB3 GLU A 71 -10.295 2.785 -9.643 1.00 0.57 H new ATOM 0 HG2 GLU A 71 -9.256 3.376 -6.969 1.00 0.25 H new ATOM 0 HG3 GLU A 71 -9.130 1.661 -7.308 1.00 0.25 H new ATOM 698 N PHE A 72 -11.497 4.296 -5.724 1.00 0.33 N ATOM 699 CA PHE A 72 -11.891 3.973 -4.346 1.00 0.35 C ATOM 700 C PHE A 72 -13.300 4.494 -3.928 1.00 0.35 C ATOM 701 O PHE A 72 -13.630 4.518 -2.741 1.00 0.46 O ATOM 702 CB PHE A 72 -10.733 4.391 -3.424 1.00 0.33 C ATOM 703 CG PHE A 72 -9.508 3.489 -3.387 1.00 0.28 C ATOM 704 CD1 PHE A 72 -8.223 4.068 -3.425 1.00 1.57 C ATOM 705 CD2 PHE A 72 -9.625 2.091 -3.237 1.00 1.62 C ATOM 706 CE1 PHE A 72 -7.074 3.270 -3.303 1.00 1.56 C ATOM 707 CE2 PHE A 72 -8.476 1.291 -3.120 1.00 1.63 C ATOM 708 CZ PHE A 72 -7.203 1.882 -3.156 1.00 0.21 C ATOM 0 H PHE A 72 -10.850 5.081 -5.802 1.00 0.33 H new ATOM 0 HA PHE A 72 -12.044 2.898 -4.254 1.00 0.35 H new ATOM 0 HB2 PHE A 72 -10.408 5.388 -3.721 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -11.123 4.472 -2.409 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -8.121 5.136 -3.549 1.00 1.57 H new ATOM 0 HD2 PHE A 72 -10.603 1.633 -3.212 1.00 1.62 H new ATOM 0 HE1 PHE A 72 -6.094 3.724 -3.322 1.00 1.56 H new ATOM 0 HE2 PHE A 72 -8.572 0.222 -3.002 1.00 1.63 H new ATOM 0 HZ PHE A 72 -6.321 1.265 -3.070 1.00 0.21 H new ATOM 718 N LYS A 73 -14.141 4.880 -4.902 1.00 0.37 N ATOM 719 CA LYS A 73 -15.391 5.671 -4.776 1.00 0.43 C ATOM 720 C LYS A 73 -16.646 4.930 -4.306 1.00 0.57 C ATOM 721 O LYS A 73 -17.447 5.525 -3.583 1.00 0.94 O ATOM 722 CB LYS A 73 -15.689 6.393 -6.108 1.00 0.65 C ATOM 723 CG LYS A 73 -15.679 5.437 -7.308 1.00 0.83 C ATOM 724 CD LYS A 73 -15.968 6.147 -8.628 1.00 1.36 C ATOM 725 CE LYS A 73 -15.609 5.127 -9.704 1.00 1.60 C ATOM 726 NZ LYS A 73 -16.161 5.472 -11.032 1.00 2.43 N ATOM 0 H LYS A 73 -13.957 4.632 -5.874 1.00 0.37 H new ATOM 0 HA LYS A 73 -15.175 6.366 -3.965 1.00 0.43 H new ATOM 0 HB2 LYS A 73 -16.662 6.881 -6.044 1.00 0.65 H new ATOM 0 HB3 LYS A 73 -14.949 7.178 -6.266 1.00 0.65 H new ATOM 0 HG2 LYS A 73 -14.707 4.947 -7.369 1.00 0.83 H new ATOM 0 HG3 LYS A 73 -16.422 4.655 -7.151 1.00 0.83 H new ATOM 0 HD2 LYS A 73 -17.015 6.444 -8.697 1.00 1.36 H new ATOM 0 HD3 LYS A 73 -15.372 7.054 -8.728 1.00 1.36 H new ATOM 0 HE2 LYS A 73 -14.524 5.049 -9.776 1.00 1.60 H new ATOM 0 HE3 LYS A 73 -15.980 4.146 -9.406 1.00 1.60 H new ATOM 0 HZ1 LYS A 73 -15.885 4.745 -11.722 1.00 2.43 H new ATOM 0 HZ2 LYS A 73 -17.198 5.520 -10.975 1.00 2.43 H new ATOM 0 HZ3 LYS A 73 -15.788 6.395 -11.334 1.00 2.43 H new ATOM 740 N GLU A 74 -16.841 3.669 -4.691 1.00 0.60 N ATOM 741 CA GLU A 74 -18.014 2.855 -4.320 1.00 0.88 C ATOM 742 C GLU A 74 -17.622 1.590 -3.527 1.00 0.79 C ATOM 743 O GLU A 74 -18.261 0.536 -3.614 1.00 1.28 O ATOM 744 CB GLU A 74 -18.953 2.646 -5.529 1.00 1.42 C ATOM 745 CG GLU A 74 -18.466 1.712 -6.645 1.00 1.94 C ATOM 746 CD GLU A 74 -19.625 1.279 -7.546 1.00 2.60 C ATOM 747 OE1 GLU A 74 -20.509 0.513 -7.086 1.00 3.69 O ATOM 748 OE2 GLU A 74 -19.661 1.665 -8.740 1.00 3.08 O ATOM 0 H GLU A 74 -16.178 3.168 -5.282 1.00 0.60 H new ATOM 0 HA GLU A 74 -18.621 3.409 -3.604 1.00 0.88 H new ATOM 0 HB2 GLU A 74 -19.902 2.260 -5.156 1.00 1.42 H new ATOM 0 HB3 GLU A 74 -19.157 3.622 -5.970 1.00 1.42 H new ATOM 0 HG2 GLU A 74 -17.707 2.218 -7.242 1.00 1.94 H new ATOM 0 HG3 GLU A 74 -17.993 0.833 -6.207 1.00 1.94 H new ATOM 755 N LYS A 75 -16.543 1.722 -2.743 1.00 0.46 N ATOM 756 CA LYS A 75 -15.925 0.710 -1.875 1.00 0.45 C ATOM 757 C LYS A 75 -16.092 1.068 -0.408 1.00 0.54 C ATOM 758 O LYS A 75 -15.893 2.217 -0.010 1.00 0.63 O ATOM 759 CB LYS A 75 -14.418 0.624 -2.183 1.00 0.39 C ATOM 760 CG LYS A 75 -14.090 0.133 -3.595 1.00 0.42 C ATOM 761 CD LYS A 75 -14.247 -1.383 -3.734 1.00 0.50 C ATOM 762 CE LYS A 75 -14.100 -1.711 -5.216 1.00 0.78 C ATOM 763 NZ LYS A 75 -14.074 -3.167 -5.460 1.00 1.36 N ATOM 0 H LYS A 75 -16.041 2.608 -2.696 1.00 0.46 H new ATOM 0 HA LYS A 75 -16.417 -0.244 -2.067 1.00 0.45 H new ATOM 0 HB2 LYS A 75 -13.973 1.609 -2.041 1.00 0.39 H new ATOM 0 HB3 LYS A 75 -13.949 -0.044 -1.461 1.00 0.39 H new ATOM 0 HG2 LYS A 75 -14.744 0.631 -4.311 1.00 0.42 H new ATOM 0 HG3 LYS A 75 -13.068 0.415 -3.847 1.00 0.42 H new ATOM 0 HD2 LYS A 75 -13.491 -1.905 -3.147 1.00 0.50 H new ATOM 0 HD3 LYS A 75 -15.219 -1.706 -3.362 1.00 0.50 H new ATOM 0 HE2 LYS A 75 -14.926 -1.265 -5.770 1.00 0.78 H new ATOM 0 HE3 LYS A 75 -13.182 -1.263 -5.597 1.00 0.78 H new ATOM 0 HZ1 LYS A 75 -13.973 -3.346 -6.479 1.00 1.36 H new ATOM 0 HZ2 LYS A 75 -13.271 -3.590 -4.953 1.00 1.36 H new ATOM 0 HZ3 LYS A 75 -14.960 -3.592 -5.120 1.00 1.36 H new ATOM 777 N ARG A 76 -16.322 0.046 0.418 1.00 0.59 N ATOM 778 CA ARG A 76 -16.174 0.115 1.860 1.00 0.69 C ATOM 779 C ARG A 76 -14.712 0.323 2.251 1.00 0.60 C ATOM 780 O ARG A 76 -13.824 -0.068 1.495 1.00 0.52 O ATOM 781 CB ARG A 76 -16.632 -1.216 2.452 1.00 0.79 C ATOM 782 CG ARG A 76 -17.882 -1.897 1.859 1.00 1.00 C ATOM 783 CD ARG A 76 -19.177 -1.112 2.129 1.00 1.44 C ATOM 784 NE ARG A 76 -20.341 -2.008 2.293 1.00 1.54 N ATOM 785 CZ ARG A 76 -21.442 -1.725 2.967 1.00 2.26 C ATOM 786 NH1 ARG A 76 -21.746 -0.518 3.351 1.00 3.29 N ATOM 787 NH2 ARG A 76 -22.268 -2.672 3.285 1.00 2.76 N ATOM 0 H ARG A 76 -16.623 -0.871 0.088 1.00 0.59 H new ATOM 0 HA ARG A 76 -16.766 0.950 2.233 1.00 0.69 H new ATOM 0 HB2 ARG A 76 -15.802 -1.918 2.369 1.00 0.79 H new ATOM 0 HB3 ARG A 76 -16.813 -1.060 3.516 1.00 0.79 H new ATOM 0 HG2 ARG A 76 -17.751 -2.012 0.783 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -17.977 -2.899 2.278 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -19.054 -0.508 3.028 1.00 1.44 H new ATOM 0 HD3 ARG A 76 -19.362 -0.423 1.305 1.00 1.44 H new ATOM 0 HE ARG A 76 -20.290 -2.924 1.847 1.00 1.54 H new ATOM 0 HH11 ARG A 76 -21.122 0.259 3.133 1.00 3.29 H new ATOM 0 HH12 ARG A 76 -22.608 -0.350 3.869 1.00 3.29 H new ATOM 0 HH21 ARG A 76 -22.068 -3.635 3.015 1.00 2.76 H new ATOM 0 HH22 ARG A 76 -23.118 -2.454 3.805 1.00 2.76 H new ATOM 801 N THR A 77 -14.452 0.768 3.475 1.00 0.64 N ATOM 802 CA THR A 77 -13.103 0.816 4.075 1.00 0.59 C ATOM 803 C THR A 77 -12.309 -0.481 3.903 1.00 0.50 C ATOM 804 O THR A 77 -11.234 -0.490 3.304 1.00 0.45 O ATOM 805 CB THR A 77 -13.257 1.112 5.564 1.00 0.68 C ATOM 806 OG1 THR A 77 -13.870 2.366 5.732 1.00 0.77 O ATOM 807 CG2 THR A 77 -11.940 1.184 6.337 1.00 0.68 C ATOM 0 H THR A 77 -15.180 1.115 4.099 1.00 0.64 H new ATOM 0 HA THR A 77 -12.542 1.593 3.557 1.00 0.59 H new ATOM 0 HB THR A 77 -13.844 0.281 5.955 1.00 0.68 H new ATOM 0 HG1 THR A 77 -13.971 2.555 6.688 1.00 0.77 H new ATOM 0 HG21 THR A 77 -12.145 1.398 7.386 1.00 0.68 H new ATOM 0 HG22 THR A 77 -11.418 0.230 6.257 1.00 0.68 H new ATOM 0 HG23 THR A 77 -11.316 1.975 5.920 1.00 0.68 H new ATOM 815 N VAL A 78 -12.879 -1.601 4.355 1.00 0.51 N ATOM 816 CA VAL A 78 -12.292 -2.948 4.243 1.00 0.48 C ATOM 817 C VAL A 78 -11.980 -3.337 2.794 1.00 0.44 C ATOM 818 O VAL A 78 -10.932 -3.929 2.524 1.00 0.45 O ATOM 819 CB VAL A 78 -13.215 -3.973 4.932 1.00 0.54 C ATOM 820 CG1 VAL A 78 -14.638 -3.970 4.366 1.00 0.58 C ATOM 821 CG2 VAL A 78 -12.650 -5.393 4.891 1.00 0.59 C ATOM 0 H VAL A 78 -13.786 -1.601 4.822 1.00 0.51 H new ATOM 0 HA VAL A 78 -11.330 -2.942 4.756 1.00 0.48 H new ATOM 0 HB VAL A 78 -13.263 -3.650 5.972 1.00 0.54 H new ATOM 0 HG11 VAL A 78 -15.240 -4.712 4.891 1.00 0.58 H new ATOM 0 HG12 VAL A 78 -15.081 -2.983 4.500 1.00 0.58 H new ATOM 0 HG13 VAL A 78 -14.608 -4.213 3.304 1.00 0.58 H new ATOM 0 HG21 VAL A 78 -13.340 -6.074 5.390 1.00 0.59 H new ATOM 0 HG22 VAL A 78 -12.521 -5.703 3.854 1.00 0.59 H new ATOM 0 HG23 VAL A 78 -11.686 -5.416 5.400 1.00 0.59 H new ATOM 831 N GLN A 79 -12.849 -2.941 1.858 1.00 0.45 N ATOM 832 CA GLN A 79 -12.707 -3.216 0.426 1.00 0.43 C ATOM 833 C GLN A 79 -11.676 -2.307 -0.262 1.00 0.36 C ATOM 834 O GLN A 79 -10.993 -2.775 -1.174 1.00 0.48 O ATOM 835 CB GLN A 79 -14.076 -3.120 -0.270 1.00 0.48 C ATOM 836 CG GLN A 79 -15.045 -4.242 0.098 1.00 0.71 C ATOM 837 CD GLN A 79 -15.227 -5.257 -1.025 1.00 1.37 C ATOM 838 OE1 GLN A 79 -14.649 -6.337 -1.010 1.00 1.72 O ATOM 839 NE2 GLN A 79 -15.992 -4.937 -2.041 1.00 1.84 N ATOM 0 H GLN A 79 -13.690 -2.408 2.081 1.00 0.45 H new ATOM 0 HA GLN A 79 -12.325 -4.233 0.332 1.00 0.43 H new ATOM 0 HB2 GLN A 79 -14.533 -2.163 -0.018 1.00 0.48 H new ATOM 0 HB3 GLN A 79 -13.924 -3.126 -1.349 1.00 0.48 H new ATOM 0 HG2 GLN A 79 -14.680 -4.754 0.989 1.00 0.71 H new ATOM 0 HG3 GLN A 79 -16.013 -3.811 0.352 1.00 0.71 H new ATOM 0 HE21 GLN A 79 -16.473 -4.038 -2.054 1.00 1.84 H new ATOM 0 HE22 GLN A 79 -16.106 -5.587 -2.819 1.00 1.84 H new ATOM 848 N GLN A 80 -11.510 -1.052 0.184 1.00 0.28 N ATOM 849 CA GLN A 80 -10.393 -0.192 -0.228 1.00 0.23 C ATOM 850 C GLN A 80 -9.063 -0.812 0.226 1.00 0.19 C ATOM 851 O GLN A 80 -8.190 -1.058 -0.607 1.00 0.21 O ATOM 852 CB GLN A 80 -10.506 1.235 0.347 1.00 0.29 C ATOM 853 CG GLN A 80 -11.664 2.110 -0.164 1.00 0.32 C ATOM 854 CD GLN A 80 -11.614 3.531 0.407 1.00 0.34 C ATOM 855 OE1 GLN A 80 -10.783 3.876 1.243 1.00 0.32 O ATOM 856 NE2 GLN A 80 -12.477 4.425 -0.023 1.00 0.60 N ATOM 0 H GLN A 80 -12.149 -0.605 0.842 1.00 0.28 H new ATOM 0 HA GLN A 80 -10.430 -0.119 -1.315 1.00 0.23 H new ATOM 0 HB2 GLN A 80 -10.595 1.156 1.431 1.00 0.29 H new ATOM 0 HB3 GLN A 80 -9.572 1.757 0.141 1.00 0.29 H new ATOM 0 HG2 GLN A 80 -11.628 2.157 -1.252 1.00 0.32 H new ATOM 0 HG3 GLN A 80 -12.613 1.646 0.104 1.00 0.32 H new ATOM 0 HE21 GLN A 80 -13.178 4.165 -0.717 1.00 0.60 H new ATOM 0 HE22 GLN A 80 -12.446 5.379 0.338 1.00 0.60 H new ATOM 865 N HIS A 81 -8.932 -1.131 1.523 1.00 0.20 N ATOM 866 CA HIS A 81 -7.746 -1.782 2.090 1.00 0.21 C ATOM 867 C HIS A 81 -7.388 -3.066 1.330 1.00 0.19 C ATOM 868 O HIS A 81 -6.247 -3.193 0.886 1.00 0.21 O ATOM 869 CB HIS A 81 -7.968 -2.067 3.585 1.00 0.25 C ATOM 870 CG HIS A 81 -7.993 -0.848 4.477 1.00 0.30 C ATOM 871 ND1 HIS A 81 -8.722 -0.704 5.638 1.00 0.37 N ATOM 872 CD2 HIS A 81 -7.237 0.287 4.342 1.00 0.33 C ATOM 873 CE1 HIS A 81 -8.424 0.486 6.181 1.00 0.43 C ATOM 874 NE2 HIS A 81 -7.507 1.121 5.432 1.00 0.40 N ATOM 0 H HIS A 81 -9.657 -0.941 2.214 1.00 0.20 H new ATOM 0 HA HIS A 81 -6.900 -1.102 1.984 1.00 0.21 H new ATOM 0 HB2 HIS A 81 -8.911 -2.601 3.700 1.00 0.25 H new ATOM 0 HB3 HIS A 81 -7.179 -2.735 3.932 1.00 0.25 H new ATOM 0 HD2 HIS A 81 -6.552 0.500 3.535 1.00 0.33 H new ATOM 0 HE1 HIS A 81 -8.858 0.877 7.089 1.00 0.43 H new ATOM 0 HE2 HIS A 81 -7.090 2.032 5.621 1.00 0.40 H new ATOM 882 N GLN A 82 -8.340 -3.982 1.115 1.00 0.21 N ATOM 883 CA GLN A 82 -8.146 -5.239 0.385 1.00 0.22 C ATOM 884 C GLN A 82 -7.425 -5.045 -0.956 1.00 0.20 C ATOM 885 O GLN A 82 -6.482 -5.783 -1.221 1.00 0.24 O ATOM 886 CB GLN A 82 -9.507 -5.933 0.189 1.00 0.31 C ATOM 887 CG GLN A 82 -9.495 -7.157 -0.747 1.00 0.44 C ATOM 888 CD GLN A 82 -8.536 -8.293 -0.384 1.00 0.81 C ATOM 889 OE1 GLN A 82 -7.959 -8.374 0.695 1.00 1.29 O ATOM 890 NE2 GLN A 82 -8.358 -9.236 -1.279 1.00 0.84 N ATOM 0 H GLN A 82 -9.295 -3.865 1.455 1.00 0.21 H new ATOM 0 HA GLN A 82 -7.495 -5.875 0.985 1.00 0.22 H new ATOM 0 HB2 GLN A 82 -9.880 -6.246 1.164 1.00 0.31 H new ATOM 0 HB3 GLN A 82 -10.215 -5.203 -0.204 1.00 0.31 H new ATOM 0 HG2 GLN A 82 -10.505 -7.565 -0.786 1.00 0.44 H new ATOM 0 HG3 GLN A 82 -9.250 -6.814 -1.752 1.00 0.44 H new ATOM 0 HE21 GLN A 82 -8.832 -9.180 -2.180 1.00 0.84 H new ATOM 0 HE22 GLN A 82 -7.745 -10.025 -1.073 1.00 0.84 H new ATOM 899 N MET A 83 -7.779 -4.039 -1.767 1.00 0.19 N ATOM 900 CA MET A 83 -7.120 -3.824 -3.068 1.00 0.19 C ATOM 901 C MET A 83 -5.617 -3.536 -2.893 1.00 0.18 C ATOM 902 O MET A 83 -4.773 -4.101 -3.589 1.00 0.23 O ATOM 903 CB MET A 83 -7.796 -2.687 -3.861 1.00 0.21 C ATOM 904 CG MET A 83 -9.323 -2.823 -3.946 1.00 0.20 C ATOM 905 SD MET A 83 -10.100 -2.431 -5.539 1.00 1.16 S ATOM 906 CE MET A 83 -9.889 -0.637 -5.632 1.00 0.72 C ATOM 0 H MET A 83 -8.512 -3.364 -1.550 1.00 0.19 H new ATOM 0 HA MET A 83 -7.227 -4.746 -3.639 1.00 0.19 H new ATOM 0 HB2 MET A 83 -7.550 -1.733 -3.395 1.00 0.21 H new ATOM 0 HB3 MET A 83 -7.385 -2.664 -4.870 1.00 0.21 H new ATOM 0 HG2 MET A 83 -9.587 -3.848 -3.684 1.00 0.20 H new ATOM 0 HG3 MET A 83 -9.763 -2.177 -3.187 1.00 0.20 H new ATOM 0 HE1 MET A 83 -10.208 -0.283 -6.612 1.00 0.72 H new ATOM 0 HE2 MET A 83 -10.492 -0.159 -4.860 1.00 0.72 H new ATOM 0 HE3 MET A 83 -8.839 -0.386 -5.480 1.00 0.72 H new ATOM 916 N VAL A 84 -5.268 -2.694 -1.915 1.00 0.17 N ATOM 917 CA VAL A 84 -3.881 -2.315 -1.583 1.00 0.17 C ATOM 918 C VAL A 84 -3.126 -3.474 -0.915 1.00 0.18 C ATOM 919 O VAL A 84 -1.921 -3.597 -1.096 1.00 0.22 O ATOM 920 CB VAL A 84 -3.868 -1.085 -0.649 1.00 0.17 C ATOM 921 CG1 VAL A 84 -2.491 -0.427 -0.537 1.00 0.16 C ATOM 922 CG2 VAL A 84 -4.831 0.013 -1.092 1.00 0.24 C ATOM 0 H VAL A 84 -5.957 -2.242 -1.313 1.00 0.17 H new ATOM 0 HA VAL A 84 -3.376 -2.068 -2.517 1.00 0.17 H new ATOM 0 HB VAL A 84 -4.173 -1.498 0.313 1.00 0.17 H new ATOM 0 HG11 VAL A 84 -2.551 0.430 0.133 1.00 0.16 H new ATOM 0 HG12 VAL A 84 -1.775 -1.147 -0.142 1.00 0.16 H new ATOM 0 HG13 VAL A 84 -2.165 -0.095 -1.523 1.00 0.16 H new ATOM 0 HG21 VAL A 84 -4.775 0.849 -0.395 1.00 0.24 H new ATOM 0 HG22 VAL A 84 -4.559 0.354 -2.091 1.00 0.24 H new ATOM 0 HG23 VAL A 84 -5.848 -0.379 -1.107 1.00 0.24 H new ATOM 932 N ASN A 85 -3.827 -4.359 -0.198 1.00 0.19 N ATOM 933 CA ASN A 85 -3.277 -5.574 0.414 1.00 0.21 C ATOM 934 C ASN A 85 -2.951 -6.623 -0.668 1.00 0.22 C ATOM 935 O ASN A 85 -1.864 -7.193 -0.699 1.00 0.25 O ATOM 936 CB ASN A 85 -4.294 -6.104 1.451 1.00 0.24 C ATOM 937 CG ASN A 85 -4.201 -5.448 2.812 1.00 0.35 C ATOM 938 OD1 ASN A 85 -3.655 -5.972 3.771 1.00 0.62 O ATOM 939 ND2 ASN A 85 -4.762 -4.277 2.945 1.00 0.27 N ATOM 0 H ASN A 85 -4.825 -4.246 -0.022 1.00 0.19 H new ATOM 0 HA ASN A 85 -2.340 -5.351 0.925 1.00 0.21 H new ATOM 0 HB2 ASN A 85 -5.301 -5.960 1.060 1.00 0.24 H new ATOM 0 HB3 ASN A 85 -4.148 -7.178 1.568 1.00 0.24 H new ATOM 0 HD21 ASN A 85 -4.744 -3.802 3.848 1.00 0.27 H new ATOM 0 HD22 ASN A 85 -5.219 -3.837 2.146 1.00 0.27 H new ATOM 946 N GLN A 86 -3.854 -6.829 -1.627 1.00 0.25 N ATOM 947 CA GLN A 86 -3.678 -7.776 -2.735 1.00 0.31 C ATOM 948 C GLN A 86 -2.559 -7.374 -3.709 1.00 0.30 C ATOM 949 O GLN A 86 -1.987 -8.266 -4.341 1.00 0.37 O ATOM 950 CB GLN A 86 -5.028 -7.939 -3.468 1.00 0.38 C ATOM 951 CG GLN A 86 -5.596 -9.367 -3.421 1.00 0.72 C ATOM 952 CD GLN A 86 -5.255 -10.227 -4.632 1.00 1.45 C ATOM 953 OE1 GLN A 86 -6.134 -10.789 -5.276 1.00 2.84 O ATOM 954 NE2 GLN A 86 -4.000 -10.377 -4.990 1.00 1.97 N ATOM 0 H GLN A 86 -4.746 -6.335 -1.659 1.00 0.25 H new ATOM 0 HA GLN A 86 -3.361 -8.730 -2.314 1.00 0.31 H new ATOM 0 HB2 GLN A 86 -5.754 -7.255 -3.028 1.00 0.38 H new ATOM 0 HB3 GLN A 86 -4.902 -7.643 -4.509 1.00 0.38 H new ATOM 0 HG2 GLN A 86 -5.224 -9.862 -2.524 1.00 0.72 H new ATOM 0 HG3 GLN A 86 -6.680 -9.309 -3.327 1.00 0.72 H new ATOM 0 HE21 GLN A 86 -3.260 -9.914 -4.462 1.00 1.97 H new ATOM 0 HE22 GLN A 86 -3.765 -10.956 -5.796 1.00 1.97 H new ATOM 963 N ALA A 87 -2.191 -6.087 -3.773 1.00 0.26 N ATOM 964 CA ALA A 87 -1.105 -5.572 -4.600 1.00 0.23 C ATOM 965 C ALA A 87 0.241 -6.226 -4.273 1.00 0.23 C ATOM 966 O ALA A 87 1.014 -6.528 -5.180 1.00 0.35 O ATOM 967 CB ALA A 87 -1.021 -4.056 -4.372 1.00 0.25 C ATOM 0 H ALA A 87 -2.658 -5.359 -3.233 1.00 0.26 H new ATOM 0 HA ALA A 87 -1.317 -5.805 -5.643 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -0.216 -3.641 -4.978 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -1.966 -3.592 -4.656 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -0.822 -3.857 -3.319 1.00 0.25 H new ATOM 973 N LEU A 88 0.510 -6.474 -2.987 1.00 0.19 N ATOM 974 CA LEU A 88 1.805 -6.976 -2.519 1.00 0.23 C ATOM 975 C LEU A 88 1.741 -8.303 -1.753 1.00 0.25 C ATOM 976 O LEU A 88 2.790 -8.861 -1.443 1.00 0.31 O ATOM 977 CB LEU A 88 2.585 -5.844 -1.833 1.00 0.29 C ATOM 978 CG LEU A 88 2.277 -5.458 -0.370 1.00 0.32 C ATOM 979 CD1 LEU A 88 0.798 -5.358 -0.021 1.00 0.40 C ATOM 980 CD2 LEU A 88 2.953 -6.405 0.607 1.00 0.29 C ATOM 0 H LEU A 88 -0.168 -6.331 -2.238 1.00 0.19 H new ATOM 0 HA LEU A 88 2.386 -7.274 -3.391 1.00 0.23 H new ATOM 0 HB2 LEU A 88 3.642 -6.106 -1.882 1.00 0.29 H new ATOM 0 HB3 LEU A 88 2.450 -4.947 -2.438 1.00 0.29 H new ATOM 0 HG LEU A 88 2.684 -4.451 -0.276 1.00 0.32 H new ATOM 0 HD11 LEU A 88 0.690 -5.082 1.028 1.00 0.40 H new ATOM 0 HD12 LEU A 88 0.327 -4.600 -0.646 1.00 0.40 H new ATOM 0 HD13 LEU A 88 0.317 -6.321 -0.194 1.00 0.40 H new ATOM 0 HD21 LEU A 88 2.716 -6.105 1.628 1.00 0.29 H new ATOM 0 HD22 LEU A 88 2.597 -7.421 0.435 1.00 0.29 H new ATOM 0 HD23 LEU A 88 4.032 -6.370 0.460 1.00 0.29 H new ATOM 992 N LYS A 89 0.537 -8.853 -1.539 1.00 0.27 N ATOM 993 CA LYS A 89 0.275 -10.115 -0.833 1.00 0.34 C ATOM 994 C LYS A 89 1.136 -11.268 -1.322 1.00 0.39 C ATOM 995 O LYS A 89 1.491 -12.161 -0.553 1.00 0.52 O ATOM 996 CB LYS A 89 -1.218 -10.468 -1.014 1.00 0.42 C ATOM 997 CG LYS A 89 -1.546 -11.924 -0.625 1.00 0.57 C ATOM 998 CD LYS A 89 -3.043 -12.173 -0.379 1.00 0.88 C ATOM 999 CE LYS A 89 -3.793 -12.538 -1.668 1.00 2.61 C ATOM 1000 NZ LYS A 89 -3.914 -14.006 -1.839 1.00 3.65 N ATOM 0 H LYS A 89 -0.320 -8.409 -1.869 1.00 0.27 H new ATOM 0 HA LYS A 89 0.528 -9.968 0.217 1.00 0.34 H new ATOM 0 HB2 LYS A 89 -1.821 -9.792 -0.409 1.00 0.42 H new ATOM 0 HB3 LYS A 89 -1.501 -10.303 -2.054 1.00 0.42 H new ATOM 0 HG2 LYS A 89 -1.201 -12.589 -1.416 1.00 0.57 H new ATOM 0 HG3 LYS A 89 -0.990 -12.185 0.276 1.00 0.57 H new ATOM 0 HD2 LYS A 89 -3.161 -12.977 0.347 1.00 0.88 H new ATOM 0 HD3 LYS A 89 -3.490 -11.281 0.059 1.00 0.88 H new ATOM 0 HE2 LYS A 89 -4.787 -12.091 -1.649 1.00 2.61 H new ATOM 0 HE3 LYS A 89 -3.270 -12.114 -2.525 1.00 2.61 H new ATOM 0 HZ1 LYS A 89 -4.426 -14.212 -2.720 1.00 3.65 H new ATOM 0 HZ2 LYS A 89 -2.965 -14.430 -1.883 1.00 3.65 H new ATOM 0 HZ3 LYS A 89 -4.436 -14.407 -1.034 1.00 3.65 H new ATOM 1014 N GLU A 90 1.415 -11.301 -2.618 1.00 0.41 N ATOM 1015 CA GLU A 90 2.129 -12.404 -3.212 1.00 0.55 C ATOM 1016 C GLU A 90 3.667 -12.198 -3.176 1.00 0.59 C ATOM 1017 O GLU A 90 4.439 -13.131 -3.404 1.00 0.80 O ATOM 1018 CB GLU A 90 1.537 -12.597 -4.609 1.00 0.65 C ATOM 1019 CG GLU A 90 0.289 -13.499 -4.579 1.00 0.89 C ATOM 1020 CD GLU A 90 -0.388 -13.618 -5.950 1.00 1.03 C ATOM 1021 OE1 GLU A 90 -1.633 -13.517 -6.035 1.00 2.09 O ATOM 1022 OE2 GLU A 90 0.309 -13.816 -6.974 1.00 2.08 O ATOM 0 H GLU A 90 1.152 -10.567 -3.276 1.00 0.41 H new ATOM 0 HA GLU A 90 1.999 -13.324 -2.642 1.00 0.55 H new ATOM 0 HB2 GLU A 90 1.275 -11.627 -5.030 1.00 0.65 H new ATOM 0 HB3 GLU A 90 2.288 -13.037 -5.265 1.00 0.65 H new ATOM 0 HG2 GLU A 90 0.572 -14.492 -4.231 1.00 0.89 H new ATOM 0 HG3 GLU A 90 -0.425 -13.100 -3.859 1.00 0.89 H new ATOM 1029 N GLU A 91 4.127 -10.991 -2.839 1.00 0.51 N ATOM 1030 CA GLU A 91 5.527 -10.596 -2.636 1.00 0.55 C ATOM 1031 C GLU A 91 5.936 -10.659 -1.153 1.00 0.57 C ATOM 1032 O GLU A 91 6.963 -11.258 -0.831 1.00 0.70 O ATOM 1033 CB GLU A 91 5.700 -9.158 -3.154 1.00 0.58 C ATOM 1034 CG GLU A 91 6.190 -9.026 -4.595 1.00 0.78 C ATOM 1035 CD GLU A 91 5.412 -9.859 -5.629 1.00 1.99 C ATOM 1036 OE1 GLU A 91 4.194 -9.638 -5.822 1.00 3.75 O ATOM 1037 OE2 GLU A 91 6.039 -10.736 -6.276 1.00 2.42 O ATOM 0 H GLU A 91 3.489 -10.209 -2.690 1.00 0.51 H new ATOM 0 HA GLU A 91 6.167 -11.291 -3.179 1.00 0.55 H new ATOM 0 HB2 GLU A 91 4.744 -8.643 -3.067 1.00 0.58 H new ATOM 0 HB3 GLU A 91 6.403 -8.639 -2.502 1.00 0.58 H new ATOM 0 HG2 GLU A 91 6.139 -7.976 -4.885 1.00 0.78 H new ATOM 0 HG3 GLU A 91 7.240 -9.317 -4.633 1.00 0.78 H new ATOM 1044 N ILE A 92 5.133 -10.056 -0.268 1.00 0.53 N ATOM 1045 CA ILE A 92 5.221 -10.104 1.201 1.00 0.57 C ATOM 1046 C ILE A 92 3.797 -10.327 1.709 1.00 0.56 C ATOM 1047 O ILE A 92 2.951 -9.458 1.563 1.00 0.65 O ATOM 1048 CB ILE A 92 5.799 -8.801 1.803 1.00 0.58 C ATOM 1049 CG1 ILE A 92 7.190 -8.502 1.204 1.00 0.79 C ATOM 1050 CG2 ILE A 92 5.834 -8.900 3.345 1.00 0.65 C ATOM 1051 CD1 ILE A 92 7.912 -7.304 1.820 1.00 1.12 C ATOM 0 H ILE A 92 4.350 -9.481 -0.578 1.00 0.53 H new ATOM 0 HA ILE A 92 5.898 -10.903 1.504 1.00 0.57 H new ATOM 0 HB ILE A 92 5.152 -7.963 1.544 1.00 0.58 H new ATOM 0 HG12 ILE A 92 7.818 -9.385 1.321 1.00 0.79 H new ATOM 0 HG13 ILE A 92 7.079 -8.330 0.133 1.00 0.79 H new ATOM 0 HG21 ILE A 92 6.242 -7.978 3.760 1.00 0.65 H new ATOM 0 HG22 ILE A 92 4.823 -9.051 3.723 1.00 0.65 H new ATOM 0 HG23 ILE A 92 6.462 -9.740 3.641 1.00 0.65 H new ATOM 0 HD11 ILE A 92 8.879 -7.173 1.335 1.00 1.12 H new ATOM 0 HD12 ILE A 92 7.311 -6.405 1.679 1.00 1.12 H new ATOM 0 HD13 ILE A 92 8.061 -7.478 2.886 1.00 1.12 H new ATOM 1063 N LYS A 93 3.495 -11.475 2.310 1.00 0.58 N ATOM 1064 CA LYS A 93 2.092 -11.837 2.614 1.00 0.67 C ATOM 1065 C LYS A 93 1.573 -11.281 3.947 1.00 0.70 C ATOM 1066 O LYS A 93 0.370 -11.245 4.211 1.00 0.76 O ATOM 1067 CB LYS A 93 1.880 -13.361 2.528 1.00 0.80 C ATOM 1068 CG LYS A 93 3.009 -14.168 1.847 1.00 1.87 C ATOM 1069 CD LYS A 93 2.801 -15.687 1.879 1.00 2.05 C ATOM 1070 CE LYS A 93 2.762 -16.286 3.289 1.00 2.21 C ATOM 1071 NZ LYS A 93 3.985 -16.011 4.084 1.00 3.45 N ATOM 0 H LYS A 93 4.184 -12.170 2.597 1.00 0.58 H new ATOM 0 HA LYS A 93 1.493 -11.352 1.843 1.00 0.67 H new ATOM 0 HB2 LYS A 93 1.745 -13.746 3.539 1.00 0.80 H new ATOM 0 HB3 LYS A 93 0.951 -13.548 1.989 1.00 0.80 H new ATOM 0 HG2 LYS A 93 3.096 -13.846 0.809 1.00 1.87 H new ATOM 0 HG3 LYS A 93 3.955 -13.931 2.334 1.00 1.87 H new ATOM 0 HD2 LYS A 93 1.868 -15.925 1.369 1.00 2.05 H new ATOM 0 HD3 LYS A 93 3.603 -16.164 1.316 1.00 2.05 H new ATOM 0 HE2 LYS A 93 1.897 -15.889 3.820 1.00 2.21 H new ATOM 0 HE3 LYS A 93 2.623 -17.364 3.213 1.00 2.21 H new ATOM 0 HZ1 LYS A 93 3.914 -16.486 5.006 1.00 3.45 H new ATOM 0 HZ2 LYS A 93 4.818 -16.368 3.574 1.00 3.45 H new ATOM 0 HZ3 LYS A 93 4.081 -14.986 4.230 1.00 3.45 H new ATOM 1085 N GLU A 94 2.495 -10.879 4.817 1.00 0.75 N ATOM 1086 CA GLU A 94 2.290 -10.622 6.224 1.00 0.87 C ATOM 1087 C GLU A 94 1.851 -9.170 6.509 1.00 0.72 C ATOM 1088 O GLU A 94 2.546 -8.398 7.174 1.00 0.88 O ATOM 1089 CB GLU A 94 3.584 -11.078 6.912 1.00 1.27 C ATOM 1090 CG GLU A 94 3.544 -12.537 7.389 1.00 2.21 C ATOM 1091 CD GLU A 94 3.573 -13.544 6.233 1.00 3.02 C ATOM 1092 OE1 GLU A 94 2.586 -14.288 6.027 1.00 4.21 O ATOM 1093 OE2 GLU A 94 4.612 -13.620 5.530 1.00 3.58 O ATOM 0 H GLU A 94 3.461 -10.717 4.533 1.00 0.75 H new ATOM 0 HA GLU A 94 1.449 -11.181 6.633 1.00 0.87 H new ATOM 0 HB2 GLU A 94 4.417 -10.953 6.220 1.00 1.27 H new ATOM 0 HB3 GLU A 94 3.779 -10.430 7.767 1.00 1.27 H new ATOM 0 HG2 GLU A 94 4.393 -12.722 8.047 1.00 2.21 H new ATOM 0 HG3 GLU A 94 2.642 -12.696 7.980 1.00 2.21 H new ATOM 1100 N MET A 95 0.674 -8.774 6.017 1.00 0.61 N ATOM 1101 CA MET A 95 0.143 -7.409 6.178 1.00 0.68 C ATOM 1102 C MET A 95 -0.272 -7.031 7.618 1.00 0.69 C ATOM 1103 O MET A 95 -0.781 -5.928 7.831 1.00 0.80 O ATOM 1104 CB MET A 95 -0.952 -7.096 5.140 1.00 0.72 C ATOM 1105 CG MET A 95 -0.402 -6.818 3.731 1.00 0.81 C ATOM 1106 SD MET A 95 0.215 -8.240 2.801 1.00 1.14 S ATOM 1107 CE MET A 95 -1.342 -9.072 2.401 1.00 1.28 C ATOM 0 H MET A 95 0.055 -9.392 5.492 1.00 0.61 H new ATOM 0 HA MET A 95 0.990 -6.754 5.974 1.00 0.68 H new ATOM 0 HB2 MET A 95 -1.646 -7.935 5.091 1.00 0.72 H new ATOM 0 HB3 MET A 95 -1.523 -6.230 5.476 1.00 0.72 H new ATOM 0 HG2 MET A 95 -1.191 -6.346 3.146 1.00 0.81 H new ATOM 0 HG3 MET A 95 0.407 -6.093 3.819 1.00 0.81 H new ATOM 0 HE1 MET A 95 -1.136 -9.964 1.810 1.00 1.28 H new ATOM 0 HE2 MET A 95 -1.850 -9.356 3.323 1.00 1.28 H new ATOM 0 HE3 MET A 95 -1.979 -8.397 1.829 1.00 1.28 H new ATOM 1117 N HIS A 96 0.016 -7.864 8.627 1.00 0.60 N ATOM 1118 CA HIS A 96 -0.176 -7.537 10.049 1.00 0.52 C ATOM 1119 C HIS A 96 0.499 -6.220 10.469 1.00 0.44 C ATOM 1120 O HIS A 96 -0.049 -5.451 11.261 1.00 0.74 O ATOM 1121 CB HIS A 96 0.313 -8.707 10.929 1.00 0.64 C ATOM 1122 CG HIS A 96 1.818 -8.886 10.976 1.00 1.70 C ATOM 1123 ND1 HIS A 96 2.693 -8.197 11.789 1.00 3.22 N ATOM 1124 CD2 HIS A 96 2.578 -9.738 10.219 1.00 2.50 C ATOM 1125 CE1 HIS A 96 3.941 -8.603 11.514 1.00 3.95 C ATOM 1126 NE2 HIS A 96 3.926 -9.552 10.562 1.00 3.47 N ATOM 0 H HIS A 96 0.395 -8.799 8.477 1.00 0.60 H new ATOM 0 HA HIS A 96 -1.245 -7.387 10.198 1.00 0.52 H new ATOM 0 HB2 HIS A 96 -0.052 -8.555 11.945 1.00 0.64 H new ATOM 0 HB3 HIS A 96 -0.137 -9.630 10.563 1.00 0.64 H new ATOM 0 HD2 HIS A 96 2.203 -10.434 9.483 1.00 2.50 H new ATOM 0 HE1 HIS A 96 4.832 -8.222 11.990 1.00 3.95 H new ATOM 0 HE2 HIS A 96 4.732 -10.039 10.169 1.00 3.47 H new ATOM 1134 N GLY A 97 1.668 -5.947 9.894 1.00 0.34 N ATOM 1135 CA GLY A 97 2.494 -4.765 10.156 1.00 0.43 C ATOM 1136 C GLY A 97 2.121 -3.530 9.331 1.00 0.38 C ATOM 1137 O GLY A 97 2.661 -2.445 9.548 1.00 0.43 O ATOM 0 H GLY A 97 2.086 -6.569 9.202 1.00 0.34 H new ATOM 0 HA2 GLY A 97 2.421 -4.514 11.214 1.00 0.43 H new ATOM 0 HA3 GLY A 97 3.536 -5.016 9.959 1.00 0.43 H new ATOM 1141 N LEU A 98 1.242 -3.679 8.346 1.00 0.36 N ATOM 1142 CA LEU A 98 1.024 -2.660 7.320 1.00 0.34 C ATOM 1143 C LEU A 98 -0.163 -1.764 7.635 1.00 0.41 C ATOM 1144 O LEU A 98 -1.328 -2.148 7.510 1.00 0.94 O ATOM 1145 CB LEU A 98 1.059 -3.262 5.909 1.00 0.47 C ATOM 1146 CG LEU A 98 2.530 -3.523 5.524 1.00 0.74 C ATOM 1147 CD1 LEU A 98 3.037 -4.899 5.902 1.00 1.66 C ATOM 1148 CD2 LEU A 98 2.772 -3.318 4.044 1.00 0.97 C ATOM 0 H LEU A 98 0.659 -4.509 8.234 1.00 0.36 H new ATOM 0 HA LEU A 98 1.867 -1.969 7.335 1.00 0.34 H new ATOM 0 HB2 LEU A 98 0.489 -4.191 5.879 1.00 0.47 H new ATOM 0 HB3 LEU A 98 0.596 -2.581 5.195 1.00 0.47 H new ATOM 0 HG LEU A 98 3.088 -2.789 6.106 1.00 0.74 H new ATOM 0 HD11 LEU A 98 4.078 -5.000 5.596 1.00 1.66 H new ATOM 0 HD12 LEU A 98 2.962 -5.031 6.981 1.00 1.66 H new ATOM 0 HD13 LEU A 98 2.437 -5.658 5.401 1.00 1.66 H new ATOM 0 HD21 LEU A 98 3.820 -3.512 3.816 1.00 0.97 H new ATOM 0 HD22 LEU A 98 2.144 -4.003 3.474 1.00 0.97 H new ATOM 0 HD23 LEU A 98 2.526 -2.291 3.774 1.00 0.97 H new ATOM 1160 N ARG A 99 0.200 -0.539 8.011 1.00 0.38 N ATOM 1161 CA ARG A 99 -0.706 0.595 8.200 1.00 0.29 C ATOM 1162 C ARG A 99 -1.004 1.207 6.837 1.00 0.30 C ATOM 1163 O ARG A 99 -0.084 1.662 6.161 1.00 0.58 O ATOM 1164 CB ARG A 99 -0.101 1.618 9.180 1.00 0.46 C ATOM 1165 CG ARG A 99 -1.196 2.113 10.131 1.00 0.58 C ATOM 1166 CD ARG A 99 -0.691 3.228 11.045 1.00 0.84 C ATOM 1167 NE ARG A 99 -1.635 3.461 12.147 1.00 1.84 N ATOM 1168 CZ ARG A 99 -1.404 4.024 13.314 1.00 2.38 C ATOM 1169 NH1 ARG A 99 -0.283 4.621 13.593 1.00 2.22 N ATOM 1170 NH2 ARG A 99 -2.326 3.973 14.226 1.00 3.44 N ATOM 0 H ARG A 99 1.173 -0.299 8.200 1.00 0.38 H new ATOM 0 HA ARG A 99 -1.643 0.261 8.645 1.00 0.29 H new ATOM 0 HB2 ARG A 99 0.710 1.161 9.747 1.00 0.46 H new ATOM 0 HB3 ARG A 99 0.327 2.457 8.631 1.00 0.46 H new ATOM 0 HG2 ARG A 99 -2.045 2.475 9.551 1.00 0.58 H new ATOM 0 HG3 ARG A 99 -1.555 1.281 10.737 1.00 0.58 H new ATOM 0 HD2 ARG A 99 0.287 2.962 11.447 1.00 0.84 H new ATOM 0 HD3 ARG A 99 -0.560 4.145 10.471 1.00 0.84 H new ATOM 0 HE ARG A 99 -2.592 3.146 11.987 1.00 1.84 H new ATOM 0 HH11 ARG A 99 0.459 4.666 12.894 1.00 2.22 H new ATOM 0 HH12 ARG A 99 -0.145 5.045 14.511 1.00 2.22 H new ATOM 0 HH21 ARG A 99 -3.210 3.503 14.032 1.00 3.44 H new ATOM 0 HH22 ARG A 99 -2.167 4.403 15.137 1.00 3.44 H new ATOM 1184 N ILE A 100 -2.265 1.182 6.422 1.00 0.26 N ATOM 1185 CA ILE A 100 -2.685 1.648 5.090 1.00 0.21 C ATOM 1186 C ILE A 100 -3.770 2.692 5.160 1.00 0.21 C ATOM 1187 O ILE A 100 -4.764 2.590 5.878 1.00 0.36 O ATOM 1188 CB ILE A 100 -3.099 0.490 4.139 1.00 0.22 C ATOM 1189 CG1 ILE A 100 -2.209 -0.765 4.274 1.00 0.31 C ATOM 1190 CG2 ILE A 100 -3.150 0.985 2.680 1.00 0.30 C ATOM 1191 CD1 ILE A 100 -2.527 -1.873 3.265 1.00 0.36 C ATOM 0 H ILE A 100 -3.034 0.838 6.997 1.00 0.26 H new ATOM 0 HA ILE A 100 -1.798 2.115 4.661 1.00 0.21 H new ATOM 0 HB ILE A 100 -4.098 0.177 4.444 1.00 0.22 H new ATOM 0 HG12 ILE A 100 -1.166 -0.471 4.157 1.00 0.31 H new ATOM 0 HG13 ILE A 100 -2.316 -1.166 5.282 1.00 0.31 H new ATOM 0 HG21 ILE A 100 -3.441 0.163 2.027 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -3.878 1.792 2.595 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -2.167 1.351 2.386 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -1.857 -2.717 3.429 1.00 0.36 H new ATOM 0 HD12 ILE A 100 -3.559 -2.198 3.395 1.00 0.36 H new ATOM 0 HD13 ILE A 100 -2.391 -1.493 2.252 1.00 0.36 H new ATOM 1203 N PHE A 101 -3.526 3.701 4.342 1.00 0.24 N ATOM 1204 CA PHE A 101 -4.284 4.906 4.220 1.00 0.20 C ATOM 1205 C PHE A 101 -4.759 5.011 2.762 1.00 0.19 C ATOM 1206 O PHE A 101 -3.947 4.967 1.837 1.00 0.33 O ATOM 1207 CB PHE A 101 -3.303 6.011 4.605 1.00 0.26 C ATOM 1208 CG PHE A 101 -2.530 5.933 5.916 1.00 0.43 C ATOM 1209 CD1 PHE A 101 -3.063 5.330 7.073 1.00 1.51 C ATOM 1210 CD2 PHE A 101 -1.250 6.517 5.975 1.00 2.15 C ATOM 1211 CE1 PHE A 101 -2.311 5.291 8.261 1.00 1.43 C ATOM 1212 CE2 PHE A 101 -0.528 6.529 7.176 1.00 2.43 C ATOM 1213 CZ PHE A 101 -1.052 5.912 8.321 1.00 1.11 C ATOM 0 H PHE A 101 -2.730 3.685 3.704 1.00 0.24 H new ATOM 0 HA PHE A 101 -5.173 4.959 4.849 1.00 0.20 H new ATOM 0 HB2 PHE A 101 -2.569 6.085 3.802 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -3.860 6.948 4.615 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -4.052 4.897 7.047 1.00 1.51 H new ATOM 0 HD2 PHE A 101 -0.821 6.959 5.088 1.00 2.15 H new ATOM 0 HE1 PHE A 101 -2.702 4.782 9.130 1.00 1.43 H new ATOM 0 HE2 PHE A 101 0.435 7.015 7.220 1.00 2.43 H new ATOM 0 HZ PHE A 101 -0.491 5.914 9.244 1.00 1.11 H new ATOM 1223 N THR A 102 -6.068 5.106 2.544 1.00 0.19 N ATOM 1224 CA THR A 102 -6.700 5.235 1.217 1.00 0.18 C ATOM 1225 C THR A 102 -7.734 6.343 1.235 1.00 0.19 C ATOM 1226 O THR A 102 -8.349 6.654 2.261 1.00 0.23 O ATOM 1227 CB THR A 102 -7.412 3.948 0.765 1.00 0.19 C ATOM 1228 OG1 THR A 102 -8.212 3.394 1.785 1.00 0.25 O ATOM 1229 CG2 THR A 102 -6.435 2.857 0.352 1.00 0.23 C ATOM 0 H THR A 102 -6.747 5.096 3.305 1.00 0.19 H new ATOM 0 HA THR A 102 -5.891 5.453 0.520 1.00 0.18 H new ATOM 0 HB THR A 102 -8.023 4.259 -0.083 1.00 0.19 H new ATOM 0 HG1 THR A 102 -9.141 3.339 1.479 1.00 0.25 H new ATOM 0 HG21 THR A 102 -6.989 1.971 0.042 1.00 0.23 H new ATOM 0 HG22 THR A 102 -5.823 3.211 -0.478 1.00 0.23 H new ATOM 0 HG23 THR A 102 -5.792 2.606 1.196 1.00 0.23 H new ATOM 1237 N SER A 103 -7.943 6.928 0.065 1.00 0.21 N ATOM 1238 CA SER A 103 -8.933 7.969 -0.175 1.00 0.22 C ATOM 1239 C SER A 103 -9.287 8.035 -1.664 1.00 0.20 C ATOM 1240 O SER A 103 -8.701 7.317 -2.478 1.00 0.19 O ATOM 1241 CB SER A 103 -8.416 9.317 0.355 1.00 0.26 C ATOM 1242 OG SER A 103 -7.018 9.499 0.213 1.00 0.60 O ATOM 0 H SER A 103 -7.412 6.684 -0.771 1.00 0.21 H new ATOM 0 HA SER A 103 -9.849 7.730 0.365 1.00 0.22 H new ATOM 0 HB2 SER A 103 -8.931 10.122 -0.169 1.00 0.26 H new ATOM 0 HB3 SER A 103 -8.677 9.404 1.410 1.00 0.26 H new ATOM 0 HG SER A 103 -6.844 10.339 -0.260 1.00 0.60 H new ATOM 1248 N VAL A 104 -10.250 8.880 -2.036 1.00 0.24 N ATOM 1249 CA VAL A 104 -10.719 9.004 -3.426 1.00 0.23 C ATOM 1250 C VAL A 104 -11.031 10.459 -3.793 1.00 0.30 C ATOM 1251 O VAL A 104 -11.782 11.117 -3.071 1.00 0.42 O ATOM 1252 CB VAL A 104 -11.908 8.061 -3.681 1.00 0.26 C ATOM 1253 CG1 VAL A 104 -13.132 8.307 -2.812 1.00 0.29 C ATOM 1254 CG2 VAL A 104 -12.344 8.052 -5.145 1.00 0.33 C ATOM 0 H VAL A 104 -10.730 9.501 -1.384 1.00 0.24 H new ATOM 0 HA VAL A 104 -9.911 8.694 -4.088 1.00 0.23 H new ATOM 0 HB VAL A 104 -11.506 7.087 -3.401 1.00 0.26 H new ATOM 0 HG11 VAL A 104 -13.912 7.591 -3.070 1.00 0.29 H new ATOM 0 HG12 VAL A 104 -12.863 8.188 -1.762 1.00 0.29 H new ATOM 0 HG13 VAL A 104 -13.500 9.319 -2.979 1.00 0.29 H new ATOM 0 HG21 VAL A 104 -13.186 7.371 -5.270 1.00 0.33 H new ATOM 0 HG22 VAL A 104 -12.644 9.057 -5.442 1.00 0.33 H new ATOM 0 HG23 VAL A 104 -11.514 7.722 -5.770 1.00 0.33 H new ATOM 1264 N PRO A 105 -10.473 10.982 -4.901 1.00 0.31 N ATOM 1265 CA PRO A 105 -10.638 12.375 -5.304 1.00 0.42 C ATOM 1266 C PRO A 105 -11.944 12.597 -6.083 1.00 0.54 C ATOM 1267 O PRO A 105 -12.142 12.038 -7.165 1.00 0.66 O ATOM 1268 CB PRO A 105 -9.415 12.671 -6.168 1.00 0.52 C ATOM 1269 CG PRO A 105 -9.170 11.327 -6.859 1.00 0.39 C ATOM 1270 CD PRO A 105 -9.540 10.312 -5.796 1.00 0.31 C ATOM 0 HA PRO A 105 -10.708 13.040 -4.443 1.00 0.42 H new ATOM 0 HB2 PRO A 105 -9.608 13.468 -6.886 1.00 0.52 H new ATOM 0 HB3 PRO A 105 -8.559 12.982 -5.569 1.00 0.52 H new ATOM 0 HG2 PRO A 105 -9.786 11.216 -7.752 1.00 0.39 H new ATOM 0 HG3 PRO A 105 -8.132 11.220 -7.173 1.00 0.39 H new ATOM 0 HD2 PRO A 105 -9.996 9.429 -6.243 1.00 0.31 H new ATOM 0 HD3 PRO A 105 -8.656 9.975 -5.255 1.00 0.31 H new