USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 30 ASN : amide:sc= 0.932 K(o=2.1,f=-6.1!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0) USER MOD Single : A 29 SER OG : rot 170:sc= -0.211 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.02) USER MOD Single : A 41 MET CE :methyl -141:sc= -0.115 (180deg=-0.379) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0802) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= -0.156 (180deg=-0.169) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0403 (180deg=-0.269) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.012 (180deg=-0.224) USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 0.211 (180deg=-0.775) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 137:sc= 1.22 (180deg=-1.37!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 1.2 (180deg=1.18) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= 2.31 (180deg=1.93) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 21:sc= 1.25 USER MOD Single : A 112 LYS NZ :NH3+ 161:sc= -2.31! (180deg=-3.47!) USER MOD Single : A 116 LYS NZ :NH3+ 140:sc= 1.17 (180deg=0.169) USER MOD Single : A 119 SER OG : rot 112:sc= -1.84! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.200 13.794 -2.928 1.00 1.16 N ATOM 2 CA GLY A 22 -4.273 12.830 -1.805 1.00 1.05 C ATOM 3 C GLY A 22 -3.944 11.422 -2.249 1.00 0.87 C ATOM 4 O GLY A 22 -4.494 10.933 -3.237 1.00 0.89 O ATOM 0 HA2 GLY A 22 -3.581 13.134 -1.020 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.274 12.850 -1.373 1.00 1.05 H new ATOM 7 N LEU A 23 -3.046 10.767 -1.528 1.00 0.75 N ATOM 8 CA LEU A 23 -2.627 9.416 -1.872 1.00 0.62 C ATOM 9 C LEU A 23 -2.627 8.516 -0.645 1.00 0.51 C ATOM 10 O LEU A 23 -2.297 8.954 0.460 1.00 0.59 O ATOM 11 CB LEU A 23 -1.228 9.440 -2.488 1.00 0.75 C ATOM 12 CG LEU A 23 -1.114 10.148 -3.838 1.00 1.22 C ATOM 13 CD1 LEU A 23 0.344 10.307 -4.230 1.00 1.78 C ATOM 14 CD2 LEU A 23 -1.869 9.376 -4.909 1.00 1.91 C ATOM 0 H LEU A 23 -2.592 11.150 -0.699 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.337 9.017 -2.596 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.549 9.924 -1.786 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.885 8.412 -2.607 1.00 0.75 H new ATOM 0 HG LEU A 23 -1.559 11.139 -3.747 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.409 10.813 -5.193 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.862 10.898 -3.474 1.00 1.78 H new ATOM 0 HD13 LEU A 23 0.810 9.324 -4.304 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -1.777 9.894 -5.864 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -1.450 8.374 -4.998 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -2.921 9.306 -4.634 1.00 1.91 H new ATOM 26 N LEU A 24 -3.007 7.264 -0.845 1.00 0.40 N ATOM 27 CA LEU A 24 -2.967 6.271 0.215 1.00 0.39 C ATOM 28 C LEU A 24 -2.054 5.126 -0.199 1.00 0.38 C ATOM 29 O LEU A 24 -2.158 4.618 -1.317 1.00 0.50 O ATOM 30 CB LEU A 24 -4.372 5.735 0.510 1.00 0.44 C ATOM 31 CG LEU A 24 -4.454 4.719 1.653 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.303 5.412 2.994 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.755 3.940 1.597 1.00 1.24 C ATOM 0 H LEU A 24 -3.349 6.910 -1.739 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.582 6.740 1.120 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -5.023 6.577 0.746 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.765 5.272 -0.395 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.633 4.012 1.536 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.364 4.674 3.794 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.337 5.915 3.037 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -5.100 6.146 3.116 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.787 3.226 2.420 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.595 4.629 1.681 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.818 3.405 0.649 1.00 1.24 H new ATOM 45 N VAL A 25 -1.153 4.733 0.688 1.00 0.37 N ATOM 46 CA VAL A 25 -0.226 3.648 0.401 1.00 0.40 C ATOM 47 C VAL A 25 -0.396 2.520 1.414 1.00 0.42 C ATOM 48 O VAL A 25 -0.186 2.712 2.610 1.00 0.56 O ATOM 49 CB VAL A 25 1.245 4.131 0.412 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.190 2.991 0.053 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.440 5.304 -0.539 1.00 0.84 C ATOM 0 H VAL A 25 -1.044 5.149 1.613 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.458 3.282 -0.599 1.00 0.40 H new ATOM 0 HB VAL A 25 1.480 4.468 1.422 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.218 3.353 0.067 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.079 2.185 0.778 1.00 0.95 H new ATOM 0 HG13 VAL A 25 1.950 2.619 -0.943 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.481 5.624 -0.513 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.180 4.998 -1.552 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.798 6.130 -0.234 1.00 0.84 H new ATOM 61 N LEU A 26 -0.794 1.351 0.935 1.00 0.46 N ATOM 62 CA LEU A 26 -0.956 0.189 1.795 1.00 0.57 C ATOM 63 C LEU A 26 0.168 -0.802 1.526 1.00 0.51 C ATOM 64 O LEU A 26 0.541 -1.028 0.377 1.00 0.58 O ATOM 65 CB LEU A 26 -2.310 -0.488 1.545 1.00 0.75 C ATOM 66 CG LEU A 26 -3.541 0.432 1.601 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.805 -0.339 1.249 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.688 1.071 2.974 1.00 1.00 C ATOM 0 H LEU A 26 -1.011 1.182 -0.047 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.919 0.516 2.834 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.281 -0.964 0.565 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.439 -1.281 2.281 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.394 1.224 0.867 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.664 0.330 1.295 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.715 -0.745 0.242 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.943 -1.155 1.958 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.567 1.716 2.983 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.802 0.292 3.728 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.801 1.664 3.196 1.00 1.00 H new ATOM 80 N ILE A 27 0.711 -1.389 2.577 1.00 0.50 N ATOM 81 CA ILE A 27 1.799 -2.338 2.423 1.00 0.49 C ATOM 82 C ILE A 27 1.663 -3.481 3.421 1.00 0.51 C ATOM 83 O ILE A 27 1.376 -3.262 4.601 1.00 0.72 O ATOM 84 CB ILE A 27 3.176 -1.646 2.587 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.315 -2.654 2.403 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.279 -0.957 3.944 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.694 -2.034 2.479 1.00 0.96 C ATOM 0 H ILE A 27 0.419 -1.227 3.541 1.00 0.50 H new ATOM 0 HA ILE A 27 1.741 -2.745 1.414 1.00 0.49 H new ATOM 0 HB ILE A 27 3.266 -0.884 1.813 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.231 -3.427 3.167 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.200 -3.146 1.437 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.254 -0.478 4.036 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.496 -0.204 4.030 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.161 -1.696 4.737 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.449 -2.808 2.340 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.798 -1.281 1.698 1.00 0.96 H new ATOM 0 HD13 ILE A 27 5.829 -1.566 3.454 1.00 0.96 H new ATOM 99 N TRP A 28 1.841 -4.703 2.942 1.00 0.45 N ATOM 100 CA TRP A 28 1.805 -5.861 3.817 1.00 0.48 C ATOM 101 C TRP A 28 2.955 -6.802 3.496 1.00 0.48 C ATOM 102 O TRP A 28 2.928 -7.545 2.512 1.00 0.49 O ATOM 103 CB TRP A 28 0.468 -6.593 3.704 1.00 0.56 C ATOM 104 CG TRP A 28 0.270 -7.623 4.776 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.059 -7.391 6.080 1.00 1.53 C ATOM 106 CD2 TRP A 28 0.388 -9.043 4.640 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.161 -8.579 6.760 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.111 -9.607 5.899 1.00 1.83 C ATOM 109 CE3 TRP A 28 0.697 -9.894 3.574 1.00 1.19 C ATOM 110 CZ2 TRP A 28 0.135 -10.981 6.121 1.00 2.26 C ATOM 111 CZ3 TRP A 28 0.722 -11.258 3.799 1.00 1.61 C ATOM 112 CH2 TRP A 28 0.442 -11.788 5.062 1.00 2.06 C ATOM 0 H TRP A 28 2.011 -4.916 1.959 1.00 0.45 H new ATOM 0 HA TRP A 28 1.913 -5.513 4.844 1.00 0.48 H new ATOM 0 HB2 TRP A 28 -0.343 -5.866 3.752 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.406 -7.076 2.729 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.216 -6.415 6.514 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.401 -8.679 7.746 1.00 2.09 H new ATOM 0 HE3 TRP A 28 0.912 -9.494 2.594 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 -0.081 -11.394 7.095 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 0.962 -11.926 2.985 1.00 1.61 H new ATOM 0 HH2 TRP A 28 0.469 -12.858 5.204 1.00 2.06 H new ATOM 123 N SER A 29 3.998 -6.694 4.290 1.00 0.50 N ATOM 124 CA SER A 29 5.124 -7.603 4.231 1.00 0.54 C ATOM 125 C SER A 29 5.643 -7.816 5.643 1.00 0.60 C ATOM 126 O SER A 29 5.208 -7.126 6.565 1.00 0.87 O ATOM 127 CB SER A 29 6.220 -7.009 3.346 1.00 0.57 C ATOM 128 OG SER A 29 5.680 -6.558 2.115 1.00 1.29 O ATOM 0 H SER A 29 4.090 -5.968 5.000 1.00 0.50 H new ATOM 0 HA SER A 29 4.818 -8.558 3.804 1.00 0.54 H new ATOM 0 HB2 SER A 29 6.702 -6.179 3.863 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.989 -7.758 3.159 1.00 0.57 H new ATOM 0 HG SER A 29 6.357 -6.040 1.631 1.00 1.29 H new ATOM 134 N ASN A 30 6.548 -8.758 5.832 1.00 0.65 N ATOM 135 CA ASN A 30 7.301 -8.800 7.071 1.00 0.69 C ATOM 136 C ASN A 30 8.780 -8.757 6.734 1.00 0.68 C ATOM 137 O ASN A 30 9.495 -9.757 6.817 1.00 0.75 O ATOM 138 CB ASN A 30 6.969 -10.059 7.879 1.00 0.81 C ATOM 139 CG ASN A 30 7.403 -9.957 9.335 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.337 -9.229 9.677 1.00 2.33 O ATOM 141 ND2 ASN A 30 6.727 -10.694 10.204 1.00 2.23 N ATOM 0 H ASN A 30 6.777 -9.490 5.159 1.00 0.65 H new ATOM 0 HA ASN A 30 7.033 -7.942 7.687 1.00 0.69 H new ATOM 0 HB2 ASN A 30 5.895 -10.240 7.837 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.455 -10.919 7.419 1.00 0.81 H new ATOM 0 HD21 ASN A 30 6.974 -10.671 11.193 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.960 -11.285 9.884 1.00 2.23 H new ATOM 148 N ASP A 31 9.210 -7.584 6.308 1.00 0.63 N ATOM 149 CA ASP A 31 10.609 -7.307 6.062 1.00 0.64 C ATOM 150 C ASP A 31 11.065 -6.232 7.030 1.00 0.65 C ATOM 151 O ASP A 31 10.283 -5.355 7.394 1.00 0.78 O ATOM 152 CB ASP A 31 10.818 -6.849 4.623 1.00 0.67 C ATOM 153 CG ASP A 31 12.282 -6.809 4.234 1.00 0.72 C ATOM 154 OD1 ASP A 31 12.741 -7.737 3.542 1.00 1.45 O ATOM 155 OD2 ASP A 31 12.984 -5.859 4.626 1.00 1.13 O ATOM 0 H ASP A 31 8.593 -6.793 6.122 1.00 0.63 H new ATOM 0 HA ASP A 31 11.195 -8.213 6.212 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.285 -7.521 3.950 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.384 -5.858 4.494 1.00 0.67 H new ATOM 160 N LYS A 32 12.315 -6.279 7.443 1.00 0.69 N ATOM 161 CA LYS A 32 12.808 -5.303 8.399 1.00 0.77 C ATOM 162 C LYS A 32 13.153 -3.986 7.705 1.00 0.71 C ATOM 163 O LYS A 32 12.763 -2.910 8.167 1.00 0.77 O ATOM 164 CB LYS A 32 14.026 -5.840 9.158 1.00 0.97 C ATOM 165 CG LYS A 32 13.790 -7.153 9.906 1.00 1.52 C ATOM 166 CD LYS A 32 12.591 -7.094 10.851 1.00 2.06 C ATOM 167 CE LYS A 32 11.322 -7.610 10.186 1.00 2.28 C ATOM 168 NZ LYS A 32 10.157 -7.617 11.109 1.00 3.05 N ATOM 0 H LYS A 32 13.001 -6.970 7.139 1.00 0.69 H new ATOM 0 HA LYS A 32 12.012 -5.115 9.120 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.843 -5.983 8.451 1.00 0.97 H new ATOM 0 HB3 LYS A 32 14.352 -5.085 9.873 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.637 -7.954 9.183 1.00 1.52 H new ATOM 0 HG3 LYS A 32 14.684 -7.405 10.477 1.00 1.52 H new ATOM 0 HD2 LYS A 32 12.801 -7.686 11.742 1.00 2.06 H new ATOM 0 HD3 LYS A 32 12.437 -6.066 11.180 1.00 2.06 H new ATOM 0 HE2 LYS A 32 11.091 -6.989 9.320 1.00 2.28 H new ATOM 0 HE3 LYS A 32 11.495 -8.621 9.817 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 9.391 -8.187 10.697 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 10.440 -8.026 12.022 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 9.824 -6.643 11.255 1.00 3.05 H new ATOM 182 N LYS A 33 13.850 -4.071 6.580 1.00 0.71 N ATOM 183 CA LYS A 33 14.346 -2.876 5.905 1.00 0.75 C ATOM 184 C LYS A 33 13.349 -2.347 4.877 1.00 0.64 C ATOM 185 O LYS A 33 13.186 -1.138 4.742 1.00 0.63 O ATOM 186 CB LYS A 33 15.705 -3.141 5.244 1.00 0.94 C ATOM 187 CG LYS A 33 15.694 -4.238 4.192 1.00 1.55 C ATOM 188 CD LYS A 33 17.076 -4.448 3.600 1.00 2.09 C ATOM 189 CE LYS A 33 17.079 -5.575 2.582 1.00 2.72 C ATOM 190 NZ LYS A 33 18.429 -5.798 2.004 1.00 3.16 N ATOM 0 H LYS A 33 14.085 -4.949 6.116 1.00 0.71 H new ATOM 0 HA LYS A 33 14.474 -2.109 6.668 1.00 0.75 H new ATOM 0 HB2 LYS A 33 16.056 -2.218 4.783 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.425 -3.405 6.018 1.00 0.94 H new ATOM 0 HG2 LYS A 33 15.342 -5.168 4.637 1.00 1.55 H new ATOM 0 HG3 LYS A 33 14.992 -3.978 3.400 1.00 1.55 H new ATOM 0 HD2 LYS A 33 17.414 -3.527 3.126 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.784 -4.674 4.397 1.00 2.09 H new ATOM 0 HE2 LYS A 33 16.731 -6.493 3.056 1.00 2.72 H new ATOM 0 HE3 LYS A 33 16.376 -5.343 1.782 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 18.387 -6.575 1.314 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.751 -4.931 1.529 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.095 -6.045 2.763 1.00 3.16 H new ATOM 204 N LEU A 34 12.674 -3.248 4.168 1.00 0.62 N ATOM 205 CA LEU A 34 11.751 -2.849 3.107 1.00 0.61 C ATOM 206 C LEU A 34 10.616 -2.003 3.668 1.00 0.54 C ATOM 207 O LEU A 34 10.277 -0.966 3.108 1.00 0.61 O ATOM 208 CB LEU A 34 11.212 -4.088 2.368 1.00 0.66 C ATOM 209 CG LEU A 34 10.141 -3.842 1.289 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.347 -4.789 0.119 1.00 1.22 C ATOM 211 CD2 LEU A 34 8.745 -4.043 1.862 1.00 1.59 C ATOM 0 H LEU A 34 12.748 -4.256 4.307 1.00 0.62 H new ATOM 0 HA LEU A 34 12.295 -2.237 2.387 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.054 -4.598 1.900 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.797 -4.772 3.109 1.00 0.66 H new ATOM 0 HG LEU A 34 10.238 -2.813 0.944 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.584 -4.605 -0.637 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.334 -4.623 -0.314 1.00 1.22 H new ATOM 0 HD13 LEU A 34 10.272 -5.819 0.467 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.003 -3.864 1.084 1.00 1.59 H new ATOM 0 HD22 LEU A 34 8.646 -5.064 2.230 1.00 1.59 H new ATOM 0 HD23 LEU A 34 8.585 -3.344 2.683 1.00 1.59 H new ATOM 223 N ILE A 35 10.052 -2.436 4.787 1.00 0.48 N ATOM 224 CA ILE A 35 8.990 -1.682 5.437 1.00 0.49 C ATOM 225 C ILE A 35 9.522 -0.345 5.945 1.00 0.48 C ATOM 226 O ILE A 35 8.879 0.690 5.783 1.00 0.53 O ATOM 227 CB ILE A 35 8.365 -2.469 6.609 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.723 -3.761 6.097 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.335 -1.617 7.343 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.137 -4.623 7.194 1.00 1.01 C ATOM 0 H ILE A 35 10.311 -3.301 5.261 1.00 0.48 H new ATOM 0 HA ILE A 35 8.213 -1.507 4.692 1.00 0.49 H new ATOM 0 HB ILE A 35 9.157 -2.727 7.312 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.937 -3.509 5.386 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.471 -4.338 5.554 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.907 -2.191 8.165 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.817 -0.723 7.737 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.543 -1.328 6.652 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.700 -5.521 6.757 1.00 1.01 H new ATOM 0 HD12 ILE A 35 7.923 -4.906 7.894 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.365 -4.064 7.723 1.00 1.01 H new ATOM 242 N GLU A 36 10.713 -0.375 6.533 1.00 0.50 N ATOM 243 CA GLU A 36 11.320 0.826 7.093 1.00 0.53 C ATOM 244 C GLU A 36 11.608 1.852 5.995 1.00 0.48 C ATOM 245 O GLU A 36 11.167 3.001 6.073 1.00 0.51 O ATOM 246 CB GLU A 36 12.614 0.463 7.829 1.00 0.66 C ATOM 247 CG GLU A 36 12.821 1.229 9.128 1.00 1.22 C ATOM 248 CD GLU A 36 12.803 2.731 8.942 1.00 1.73 C ATOM 249 OE1 GLU A 36 11.726 3.340 9.100 1.00 2.62 O ATOM 250 OE2 GLU A 36 13.871 3.310 8.646 1.00 2.01 O ATOM 0 H GLU A 36 11.277 -1.219 6.634 1.00 0.50 H new ATOM 0 HA GLU A 36 10.619 1.270 7.800 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.610 -0.605 8.045 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.461 0.651 7.169 1.00 0.66 H new ATOM 0 HG2 GLU A 36 12.042 0.947 9.837 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.774 0.935 9.568 1.00 1.22 H new ATOM 257 N GLU A 37 12.329 1.427 4.962 1.00 0.48 N ATOM 258 CA GLU A 37 12.719 2.323 3.880 1.00 0.51 C ATOM 259 C GLU A 37 11.504 2.832 3.112 1.00 0.44 C ATOM 260 O GLU A 37 11.486 3.979 2.661 1.00 0.48 O ATOM 261 CB GLU A 37 13.700 1.635 2.929 1.00 0.65 C ATOM 262 CG GLU A 37 15.044 1.319 3.568 1.00 0.80 C ATOM 263 CD GLU A 37 16.094 0.904 2.556 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.412 1.716 1.654 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.627 -0.219 2.672 1.00 1.55 O ATOM 0 H GLU A 37 12.655 0.467 4.852 1.00 0.48 H new ATOM 0 HA GLU A 37 13.216 3.182 4.331 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.253 0.710 2.565 1.00 0.65 H new ATOM 0 HB3 GLU A 37 13.861 2.274 2.061 1.00 0.65 H new ATOM 0 HG2 GLU A 37 15.397 2.195 4.112 1.00 0.80 H new ATOM 0 HG3 GLU A 37 14.915 0.520 4.299 1.00 0.80 H new ATOM 272 N ALA A 38 10.490 1.987 2.968 1.00 0.40 N ATOM 273 CA ALA A 38 9.258 2.392 2.307 1.00 0.42 C ATOM 274 C ALA A 38 8.508 3.412 3.155 1.00 0.39 C ATOM 275 O ALA A 38 7.987 4.401 2.636 1.00 0.42 O ATOM 276 CB ALA A 38 8.374 1.187 2.027 1.00 0.50 C ATOM 0 H ALA A 38 10.497 1.022 3.299 1.00 0.40 H new ATOM 0 HA ALA A 38 9.520 2.854 1.355 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.459 1.514 1.533 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.905 0.488 1.381 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.123 0.694 2.966 1.00 0.50 H new ATOM 282 N ARG A 39 8.469 3.174 4.463 1.00 0.41 N ATOM 283 CA ARG A 39 7.791 4.080 5.379 1.00 0.50 C ATOM 284 C ARG A 39 8.436 5.459 5.342 1.00 0.46 C ATOM 285 O ARG A 39 7.758 6.458 5.122 1.00 0.52 O ATOM 286 CB ARG A 39 7.817 3.541 6.811 1.00 0.62 C ATOM 287 CG ARG A 39 6.991 4.378 7.774 1.00 1.18 C ATOM 288 CD ARG A 39 5.507 4.241 7.484 1.00 1.43 C ATOM 289 NE ARG A 39 4.768 5.469 7.761 1.00 1.88 N ATOM 290 CZ ARG A 39 3.496 5.507 8.151 1.00 2.58 C ATOM 291 NH1 ARG A 39 2.849 4.385 8.442 1.00 2.84 N ATOM 292 NH2 ARG A 39 2.880 6.675 8.276 1.00 3.48 N ATOM 0 H ARG A 39 8.898 2.363 4.909 1.00 0.41 H new ATOM 0 HA ARG A 39 6.753 4.159 5.056 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.443 2.517 6.815 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.848 3.505 7.162 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.195 4.066 8.798 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.285 5.425 7.695 1.00 1.18 H new ATOM 0 HD2 ARG A 39 5.368 3.965 6.439 1.00 1.43 H new ATOM 0 HD3 ARG A 39 5.096 3.430 8.085 1.00 1.43 H new ATOM 0 HE ARG A 39 5.259 6.356 7.648 1.00 1.88 H new ATOM 0 HH11 ARG A 39 3.327 3.487 8.367 1.00 2.84 H new ATOM 0 HH12 ARG A 39 1.874 4.421 8.740 1.00 2.84 H new ATOM 0 HH21 ARG A 39 3.381 7.540 8.073 1.00 3.48 H new ATOM 0 HH22 ARG A 39 1.905 6.708 8.575 1.00 3.48 H new ATOM 306 N LYS A 40 9.750 5.498 5.545 1.00 0.45 N ATOM 307 CA LYS A 40 10.498 6.753 5.550 1.00 0.49 C ATOM 308 C LYS A 40 10.304 7.524 4.249 1.00 0.42 C ATOM 309 O LYS A 40 10.204 8.755 4.253 1.00 0.47 O ATOM 310 CB LYS A 40 11.986 6.481 5.772 1.00 0.62 C ATOM 311 CG LYS A 40 12.333 6.040 7.185 1.00 1.06 C ATOM 312 CD LYS A 40 12.166 7.177 8.179 1.00 1.58 C ATOM 313 CE LYS A 40 12.662 6.786 9.562 1.00 2.12 C ATOM 314 NZ LYS A 40 11.839 5.712 10.176 1.00 2.95 N ATOM 0 H LYS A 40 10.322 4.670 5.709 1.00 0.45 H new ATOM 0 HA LYS A 40 10.114 7.363 6.367 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.312 5.711 5.072 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.548 7.384 5.537 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.694 5.205 7.474 1.00 1.06 H new ATOM 0 HG3 LYS A 40 13.361 5.679 7.213 1.00 1.06 H new ATOM 0 HD2 LYS A 40 12.714 8.051 7.829 1.00 1.58 H new ATOM 0 HD3 LYS A 40 11.115 7.461 8.235 1.00 1.58 H new ATOM 0 HE2 LYS A 40 13.697 6.452 9.493 1.00 2.12 H new ATOM 0 HE3 LYS A 40 12.652 7.663 10.210 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 12.227 5.469 11.110 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 10.859 6.044 10.284 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 11.854 4.871 9.565 1.00 2.95 H new ATOM 328 N MET A 41 10.239 6.792 3.143 1.00 0.39 N ATOM 329 CA MET A 41 10.070 7.396 1.829 1.00 0.41 C ATOM 330 C MET A 41 8.684 8.028 1.713 1.00 0.42 C ATOM 331 O MET A 41 8.539 9.156 1.240 1.00 0.52 O ATOM 332 CB MET A 41 10.259 6.341 0.738 1.00 0.48 C ATOM 333 CG MET A 41 10.664 6.916 -0.609 1.00 0.69 C ATOM 334 SD MET A 41 12.323 7.626 -0.577 1.00 1.10 S ATOM 335 CE MET A 41 12.539 8.068 -2.298 1.00 1.55 C ATOM 0 H MET A 41 10.301 5.774 3.132 1.00 0.39 H new ATOM 0 HA MET A 41 10.822 8.175 1.701 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.019 5.629 1.062 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.330 5.784 0.620 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.621 6.132 -1.365 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.948 7.683 -0.905 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.564 7.856 -2.602 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.851 7.487 -2.912 1.00 1.55 H new ATOM 0 HE3 MET A 41 12.334 9.131 -2.429 1.00 1.55 H new ATOM 345 N ALA A 42 7.672 7.297 2.169 1.00 0.40 N ATOM 346 CA ALA A 42 6.296 7.775 2.124 1.00 0.49 C ATOM 347 C ALA A 42 6.084 8.934 3.094 1.00 0.51 C ATOM 348 O ALA A 42 5.335 9.866 2.802 1.00 0.59 O ATOM 349 CB ALA A 42 5.334 6.640 2.435 1.00 0.58 C ATOM 0 H ALA A 42 7.781 6.368 2.575 1.00 0.40 H new ATOM 0 HA ALA A 42 6.097 8.140 1.116 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.310 7.011 2.398 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.459 5.845 1.700 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.543 6.249 3.431 1.00 0.58 H new ATOM 355 N GLU A 43 6.750 8.870 4.242 1.00 0.50 N ATOM 356 CA GLU A 43 6.676 9.935 5.237 1.00 0.60 C ATOM 357 C GLU A 43 7.199 11.246 4.663 1.00 0.62 C ATOM 358 O GLU A 43 6.630 12.313 4.904 1.00 0.73 O ATOM 359 CB GLU A 43 7.477 9.562 6.485 1.00 0.67 C ATOM 360 CG GLU A 43 6.881 8.414 7.281 1.00 0.97 C ATOM 361 CD GLU A 43 5.602 8.792 7.998 1.00 1.62 C ATOM 362 OE1 GLU A 43 4.516 8.675 7.398 1.00 2.16 O ATOM 363 OE2 GLU A 43 5.676 9.189 9.176 1.00 2.38 O ATOM 0 H GLU A 43 7.350 8.089 4.508 1.00 0.50 H new ATOM 0 HA GLU A 43 5.630 10.064 5.513 1.00 0.60 H new ATOM 0 HB2 GLU A 43 8.491 9.296 6.187 1.00 0.67 H new ATOM 0 HB3 GLU A 43 7.553 10.437 7.130 1.00 0.67 H new ATOM 0 HG2 GLU A 43 6.681 7.579 6.610 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.612 8.068 8.012 1.00 0.97 H new ATOM 370 N LYS A 44 8.277 11.156 3.891 1.00 0.58 N ATOM 371 CA LYS A 44 8.890 12.325 3.290 1.00 0.66 C ATOM 372 C LYS A 44 7.988 12.913 2.209 1.00 0.66 C ATOM 373 O LYS A 44 7.973 14.123 1.985 1.00 0.70 O ATOM 374 CB LYS A 44 10.250 11.948 2.706 1.00 0.76 C ATOM 375 CG LYS A 44 10.966 13.104 2.045 1.00 1.29 C ATOM 376 CD LYS A 44 12.299 12.679 1.468 1.00 1.69 C ATOM 377 CE LYS A 44 12.905 13.793 0.639 1.00 2.09 C ATOM 378 NZ LYS A 44 13.198 15.002 1.455 1.00 2.20 N ATOM 0 H LYS A 44 8.744 10.277 3.668 1.00 0.58 H new ATOM 0 HA LYS A 44 9.030 13.084 4.059 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.879 11.548 3.501 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.114 11.150 1.976 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.340 13.515 1.252 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.122 13.900 2.773 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.980 12.408 2.275 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.167 11.791 0.851 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.825 13.439 0.174 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.221 14.057 -0.167 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 13.703 15.700 0.872 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 12.307 15.415 1.796 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.790 14.737 2.268 1.00 2.20 H new ATOM 392 N ALA A 45 7.225 12.051 1.554 1.00 0.67 N ATOM 393 CA ALA A 45 6.320 12.482 0.500 1.00 0.74 C ATOM 394 C ALA A 45 4.952 12.855 1.067 1.00 0.73 C ATOM 395 O ALA A 45 4.051 13.267 0.331 1.00 0.81 O ATOM 396 CB ALA A 45 6.186 11.394 -0.553 1.00 0.82 C ATOM 0 H ALA A 45 7.215 11.047 1.734 1.00 0.67 H new ATOM 0 HA ALA A 45 6.740 13.373 0.032 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.506 11.728 -1.337 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.164 11.184 -0.986 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.792 10.488 -0.092 1.00 0.82 H new ATOM 402 N ASN A 46 4.820 12.712 2.388 1.00 0.69 N ATOM 403 CA ASN A 46 3.588 13.042 3.107 1.00 0.72 C ATOM 404 C ASN A 46 2.428 12.174 2.634 1.00 0.67 C ATOM 405 O ASN A 46 1.305 12.649 2.470 1.00 0.84 O ATOM 406 CB ASN A 46 3.238 14.531 2.952 1.00 0.87 C ATOM 407 CG ASN A 46 4.269 15.446 3.587 1.00 1.46 C ATOM 408 OD1 ASN A 46 5.247 15.836 2.950 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.058 15.799 4.847 1.00 2.13 N ATOM 0 H ASN A 46 5.566 12.363 2.990 1.00 0.69 H new ATOM 0 HA ASN A 46 3.761 12.839 4.164 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.150 14.771 1.892 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.264 14.720 3.404 1.00 0.87 H new ATOM 0 HD21 ASN A 46 4.718 16.415 5.322 1.00 2.13 H new ATOM 0 HD22 ASN A 46 3.235 15.455 5.342 1.00 2.13 H new ATOM 416 N LEU A 47 2.708 10.899 2.412 1.00 0.51 N ATOM 417 CA LEU A 47 1.687 9.961 1.974 1.00 0.51 C ATOM 418 C LEU A 47 1.182 9.158 3.163 1.00 0.46 C ATOM 419 O LEU A 47 1.960 8.810 4.054 1.00 0.56 O ATOM 420 CB LEU A 47 2.251 9.014 0.910 1.00 0.58 C ATOM 421 CG LEU A 47 2.978 9.692 -0.253 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.486 8.656 -1.242 1.00 1.00 C ATOM 423 CD2 LEU A 47 2.071 10.689 -0.953 1.00 1.18 C ATOM 0 H LEU A 47 3.635 10.490 2.528 1.00 0.51 H new ATOM 0 HA LEU A 47 0.860 10.522 1.539 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.940 8.322 1.393 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.432 8.419 0.507 1.00 0.58 H new ATOM 0 HG LEU A 47 3.832 10.234 0.154 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.000 9.157 -2.062 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.178 7.981 -0.738 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.645 8.086 -1.636 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.611 11.157 -1.776 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.194 10.172 -1.342 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.756 11.454 -0.244 1.00 1.18 H new ATOM 435 N TYR A 48 -0.109 8.871 3.183 1.00 0.49 N ATOM 436 CA TYR A 48 -0.696 8.109 4.277 1.00 0.54 C ATOM 437 C TYR A 48 -0.466 6.623 4.049 1.00 0.46 C ATOM 438 O TYR A 48 -1.099 6.009 3.189 1.00 0.58 O ATOM 439 CB TYR A 48 -2.195 8.409 4.420 1.00 0.64 C ATOM 440 CG TYR A 48 -2.495 9.864 4.702 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.687 10.772 3.665 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.582 10.333 6.007 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.955 12.102 3.924 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.852 11.661 6.271 1.00 1.43 C ATOM 445 CZ TYR A 48 -3.037 12.541 5.228 1.00 1.09 C ATOM 446 OH TYR A 48 -3.303 13.865 5.489 1.00 1.28 O ATOM 0 H TYR A 48 -0.770 9.152 2.458 1.00 0.49 H new ATOM 0 HA TYR A 48 -0.210 8.407 5.206 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.706 8.112 3.504 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.604 7.799 5.225 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.626 10.431 2.642 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.436 9.647 6.829 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -3.100 12.795 3.108 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.918 12.008 7.292 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.328 14.009 6.458 1.00 1.28 H new ATOM 456 N LEU A 49 0.460 6.057 4.806 1.00 0.46 N ATOM 457 CA LEU A 49 0.816 4.657 4.653 1.00 0.46 C ATOM 458 C LEU A 49 0.214 3.829 5.778 1.00 0.50 C ATOM 459 O LEU A 49 0.337 4.173 6.955 1.00 0.61 O ATOM 460 CB LEU A 49 2.346 4.499 4.607 1.00 0.66 C ATOM 461 CG LEU A 49 2.877 3.083 4.325 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.247 3.155 3.671 1.00 1.76 C ATOM 463 CD2 LEU A 49 2.968 2.270 5.609 1.00 1.35 C ATOM 0 H LEU A 49 0.979 6.547 5.534 1.00 0.46 H new ATOM 0 HA LEU A 49 0.408 4.291 3.711 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.736 5.169 3.841 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.753 4.833 5.561 1.00 0.66 H new ATOM 0 HG LEU A 49 2.178 2.591 3.649 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.611 2.146 3.477 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.173 3.701 2.731 1.00 1.76 H new ATOM 0 HD13 LEU A 49 4.941 3.669 4.336 1.00 1.76 H new ATOM 0 HD21 LEU A 49 3.346 1.273 5.382 1.00 1.35 H new ATOM 0 HD22 LEU A 49 3.645 2.765 6.306 1.00 1.35 H new ATOM 0 HD23 LEU A 49 1.979 2.189 6.059 1.00 1.35 H new ATOM 475 N LEU A 50 -0.449 2.749 5.404 1.00 0.52 N ATOM 476 CA LEU A 50 -1.062 1.850 6.366 1.00 0.63 C ATOM 477 C LEU A 50 -0.577 0.425 6.149 1.00 0.69 C ATOM 478 O LEU A 50 -0.484 -0.047 5.014 1.00 0.69 O ATOM 479 CB LEU A 50 -2.592 1.886 6.268 1.00 0.77 C ATOM 480 CG LEU A 50 -3.292 3.040 6.997 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.997 4.378 6.336 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.790 2.789 7.049 1.00 1.48 C ATOM 0 H LEU A 50 -0.577 2.471 4.431 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.768 2.187 7.360 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.867 1.930 5.214 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.982 0.947 6.660 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.902 3.084 8.014 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.509 5.173 6.879 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.923 4.562 6.351 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.348 4.359 5.304 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -5.279 3.613 7.568 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -5.182 2.715 6.035 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.985 1.858 7.582 1.00 1.48 H new ATOM 494 N THR A 51 -0.255 -0.246 7.237 1.00 0.85 N ATOM 495 CA THR A 51 0.060 -1.658 7.194 1.00 1.00 C ATOM 496 C THR A 51 -1.220 -2.440 7.454 1.00 1.38 C ATOM 497 O THR A 51 -2.128 -1.941 8.126 1.00 2.04 O ATOM 498 CB THR A 51 1.154 -2.038 8.219 1.00 1.42 C ATOM 499 OG1 THR A 51 1.506 -3.420 8.078 1.00 1.86 O ATOM 500 CG2 THR A 51 0.699 -1.768 9.647 1.00 2.07 C ATOM 0 H THR A 51 -0.205 0.169 8.168 1.00 0.85 H new ATOM 0 HA THR A 51 0.460 -1.904 6.210 1.00 1.00 H new ATOM 0 HB THR A 51 2.027 -1.417 8.016 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.200 -3.649 8.731 1.00 1.86 H new ATOM 0 HG21 THR A 51 1.492 -2.047 10.341 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.472 -0.708 9.762 1.00 2.07 H new ATOM 0 HG23 THR A 51 -0.194 -2.356 9.862 1.00 2.07 H new ATOM 508 N LEU A 52 -1.313 -3.646 6.926 1.00 1.17 N ATOM 509 CA LEU A 52 -2.569 -4.370 6.974 1.00 1.66 C ATOM 510 C LEU A 52 -2.654 -5.229 8.226 1.00 1.10 C ATOM 511 O LEU A 52 -1.970 -6.244 8.364 1.00 1.25 O ATOM 512 CB LEU A 52 -2.745 -5.229 5.719 1.00 2.63 C ATOM 513 CG LEU A 52 -2.709 -4.463 4.390 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.961 -5.404 3.222 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.731 -3.334 4.391 1.00 3.43 C ATOM 0 H LEU A 52 -0.547 -4.139 6.466 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.378 -3.640 7.008 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.961 -5.986 5.704 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.696 -5.756 5.790 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.716 -4.028 4.276 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.931 -4.842 2.289 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -2.192 -6.176 3.205 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.940 -5.869 3.334 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.689 -2.804 3.439 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.730 -3.747 4.532 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.507 -2.641 5.202 1.00 3.43 H new ATOM 527 N GLU A 53 -3.508 -4.788 9.133 1.00 1.35 N ATOM 528 CA GLU A 53 -3.778 -5.486 10.381 1.00 1.60 C ATOM 529 C GLU A 53 -5.201 -5.143 10.796 1.00 1.84 C ATOM 530 O GLU A 53 -6.025 -6.024 11.050 1.00 2.34 O ATOM 531 CB GLU A 53 -2.778 -5.072 11.472 1.00 2.04 C ATOM 532 CG GLU A 53 -2.915 -5.856 12.767 1.00 2.24 C ATOM 533 CD GLU A 53 -2.617 -7.329 12.581 1.00 2.43 C ATOM 534 OE1 GLU A 53 -3.522 -8.159 12.810 1.00 2.97 O ATOM 535 OE2 GLU A 53 -1.477 -7.662 12.194 1.00 2.75 O ATOM 0 H GLU A 53 -4.041 -3.925 9.024 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.669 -6.562 10.243 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -1.765 -5.198 11.089 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -2.908 -4.011 11.686 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -2.237 -5.442 13.513 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -3.927 -5.738 13.155 1.00 2.24 H new ATOM 542 N THR A 54 -5.474 -3.847 10.846 1.00 1.76 N ATOM 543 CA THR A 54 -6.837 -3.347 10.970 1.00 1.96 C ATOM 544 C THR A 54 -7.316 -2.905 9.590 1.00 1.44 C ATOM 545 O THR A 54 -6.842 -1.903 9.052 1.00 1.41 O ATOM 546 CB THR A 54 -6.926 -2.158 11.949 1.00 2.58 C ATOM 547 OG1 THR A 54 -5.945 -2.309 12.984 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.309 -2.081 12.579 1.00 3.30 C ATOM 0 H THR A 54 -4.763 -3.117 10.802 1.00 1.76 H new ATOM 0 HA THR A 54 -7.465 -4.146 11.365 1.00 1.96 H new ATOM 0 HB THR A 54 -6.740 -1.240 11.392 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.003 -1.551 13.603 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.349 -1.236 13.266 1.00 3.30 H new ATOM 0 HG22 THR A 54 -9.058 -1.950 11.798 1.00 3.30 H new ATOM 0 HG23 THR A 54 -8.512 -3.002 13.125 1.00 3.30 H new ATOM 556 N ASP A 55 -8.244 -3.657 9.024 1.00 1.58 N ATOM 557 CA ASP A 55 -8.601 -3.499 7.608 1.00 1.57 C ATOM 558 C ASP A 55 -9.725 -2.492 7.394 1.00 1.40 C ATOM 559 O ASP A 55 -9.498 -1.389 6.897 1.00 1.25 O ATOM 560 CB ASP A 55 -9.016 -4.848 7.003 1.00 2.38 C ATOM 561 CG ASP A 55 -9.245 -4.776 5.508 1.00 3.04 C ATOM 562 OD1 ASP A 55 -8.273 -4.962 4.749 1.00 3.66 O ATOM 563 OD2 ASP A 55 -10.403 -4.582 5.088 1.00 3.51 O ATOM 0 H ASP A 55 -8.767 -4.383 9.513 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.710 -3.120 7.107 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -8.243 -5.588 7.212 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -9.928 -5.194 7.489 1.00 2.38 H new ATOM 568 N ASP A 56 -10.927 -2.875 7.795 1.00 1.62 N ATOM 569 CA ASP A 56 -12.131 -2.121 7.446 1.00 1.72 C ATOM 570 C ASP A 56 -12.128 -0.729 8.062 1.00 1.47 C ATOM 571 O ASP A 56 -12.521 0.242 7.419 1.00 1.48 O ATOM 572 CB ASP A 56 -13.391 -2.875 7.890 1.00 2.15 C ATOM 573 CG ASP A 56 -14.653 -2.309 7.273 1.00 2.43 C ATOM 574 OD1 ASP A 56 -15.300 -1.443 7.902 1.00 2.98 O ATOM 575 OD2 ASP A 56 -15.015 -2.734 6.156 1.00 2.88 O ATOM 0 H ASP A 56 -11.100 -3.704 8.363 1.00 1.62 H new ATOM 0 HA ASP A 56 -12.135 -2.013 6.361 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.297 -3.926 7.617 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.471 -2.834 8.976 1.00 2.15 H new ATOM 580 N LYS A 57 -11.666 -0.633 9.301 1.00 1.39 N ATOM 581 CA LYS A 57 -11.768 0.611 10.050 1.00 1.42 C ATOM 582 C LYS A 57 -10.803 1.681 9.538 1.00 1.20 C ATOM 583 O LYS A 57 -11.229 2.669 8.950 1.00 1.27 O ATOM 584 CB LYS A 57 -11.523 0.366 11.542 1.00 1.57 C ATOM 585 CG LYS A 57 -11.745 1.604 12.402 1.00 1.98 C ATOM 586 CD LYS A 57 -13.199 2.051 12.369 1.00 2.71 C ATOM 587 CE LYS A 57 -13.412 3.338 13.150 1.00 3.40 C ATOM 588 NZ LYS A 57 -12.802 4.513 12.473 1.00 4.03 N ATOM 0 H LYS A 57 -11.219 -1.398 9.807 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.782 0.982 9.903 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -12.184 -0.430 11.886 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.501 0.014 11.682 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -11.452 1.392 13.430 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.106 2.413 12.049 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -13.511 2.198 11.335 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -13.830 1.265 12.784 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -14.481 3.510 13.280 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -12.983 3.232 14.146 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -13.015 5.375 13.014 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -11.771 4.385 12.417 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -13.192 4.602 11.513 1.00 4.03 H new ATOM 602 N LYS A 58 -9.507 1.474 9.748 1.00 1.07 N ATOM 603 CA LYS A 58 -8.522 2.532 9.524 1.00 1.04 C ATOM 604 C LYS A 58 -8.434 2.941 8.058 1.00 0.88 C ATOM 605 O LYS A 58 -8.381 4.131 7.747 1.00 0.87 O ATOM 606 CB LYS A 58 -7.139 2.118 10.034 1.00 1.18 C ATOM 607 CG LYS A 58 -7.077 1.915 11.542 1.00 1.64 C ATOM 608 CD LYS A 58 -5.645 1.941 12.058 1.00 2.25 C ATOM 609 CE LYS A 58 -4.776 0.895 11.379 1.00 2.61 C ATOM 610 NZ LYS A 58 -3.391 0.897 11.914 1.00 2.99 N ATOM 0 H LYS A 58 -9.114 0.590 10.071 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.865 3.397 10.091 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.841 1.193 9.539 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.414 2.880 9.749 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -7.656 2.694 12.038 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -7.539 0.962 11.800 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -5.218 2.930 11.892 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -5.644 1.770 13.134 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -5.218 -0.091 11.519 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -4.751 1.084 10.306 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -2.829 0.170 11.426 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -2.960 1.830 11.758 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -3.412 0.692 12.933 1.00 2.99 H new ATOM 624 N ILE A 59 -8.430 1.964 7.162 1.00 0.83 N ATOM 625 CA ILE A 59 -8.297 2.241 5.735 1.00 0.80 C ATOM 626 C ILE A 59 -9.468 3.086 5.231 1.00 0.74 C ATOM 627 O ILE A 59 -9.274 4.073 4.519 1.00 0.78 O ATOM 628 CB ILE A 59 -8.202 0.929 4.921 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.928 0.164 5.298 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.231 1.212 3.422 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.842 -1.217 4.682 1.00 1.33 C ATOM 0 H ILE A 59 -8.517 0.975 7.395 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.374 2.804 5.594 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.068 0.312 5.164 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.060 0.746 4.987 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.878 0.072 6.383 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.163 0.273 2.873 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.163 1.716 3.165 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.388 1.850 3.156 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.914 -1.697 4.994 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.690 -1.817 5.013 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.860 -1.132 3.595 1.00 1.33 H new ATOM 643 N GLU A 60 -10.675 2.713 5.631 1.00 0.77 N ATOM 644 CA GLU A 60 -11.876 3.407 5.190 1.00 0.87 C ATOM 645 C GLU A 60 -11.997 4.761 5.890 1.00 0.85 C ATOM 646 O GLU A 60 -12.333 5.770 5.263 1.00 0.94 O ATOM 647 CB GLU A 60 -13.101 2.523 5.463 1.00 1.04 C ATOM 648 CG GLU A 60 -14.363 2.917 4.708 1.00 1.32 C ATOM 649 CD GLU A 60 -15.069 4.111 5.310 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.390 5.059 4.564 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.300 4.114 6.535 1.00 2.01 O ATOM 0 H GLU A 60 -10.849 1.931 6.262 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.817 3.598 4.118 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.851 1.493 5.208 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.314 2.544 6.532 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.105 3.140 3.673 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -15.048 2.069 4.690 1.00 1.32 H new ATOM 658 N ASP A 61 -11.685 4.781 7.182 1.00 0.82 N ATOM 659 CA ASP A 61 -11.813 5.987 7.996 1.00 0.88 C ATOM 660 C ASP A 61 -10.930 7.114 7.472 1.00 0.79 C ATOM 661 O ASP A 61 -11.398 8.237 7.263 1.00 0.83 O ATOM 662 CB ASP A 61 -11.448 5.685 9.449 1.00 0.99 C ATOM 663 CG ASP A 61 -11.781 6.830 10.382 1.00 1.55 C ATOM 664 OD1 ASP A 61 -12.920 6.871 10.887 1.00 2.27 O ATOM 665 OD2 ASP A 61 -10.903 7.677 10.637 1.00 2.05 O ATOM 0 H ASP A 61 -11.339 3.969 7.692 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.852 6.313 7.939 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -11.978 4.790 9.775 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -10.382 5.466 9.514 1.00 0.99 H new ATOM 670 N ILE A 62 -9.658 6.807 7.247 1.00 0.72 N ATOM 671 CA ILE A 62 -8.695 7.812 6.813 1.00 0.69 C ATOM 672 C ILE A 62 -9.035 8.339 5.419 1.00 0.68 C ATOM 673 O ILE A 62 -8.974 9.544 5.177 1.00 0.73 O ATOM 674 CB ILE A 62 -7.250 7.263 6.836 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.862 6.879 8.269 1.00 0.81 C ATOM 676 CG2 ILE A 62 -6.271 8.287 6.273 1.00 0.77 C ATOM 677 CD1 ILE A 62 -5.444 6.371 8.406 1.00 0.93 C ATOM 0 H ILE A 62 -9.269 5.870 7.358 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.756 8.638 7.521 1.00 0.69 H new ATOM 0 HB ILE A 62 -7.205 6.374 6.206 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.990 7.748 8.915 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -7.548 6.112 8.627 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -5.261 7.878 6.300 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.541 8.520 5.243 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -6.310 9.196 6.873 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -5.246 6.121 9.448 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -5.315 5.482 7.788 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.748 7.144 8.080 1.00 0.93 H new ATOM 689 N LEU A 63 -9.416 7.445 4.512 1.00 0.68 N ATOM 690 CA LEU A 63 -9.791 7.846 3.156 1.00 0.76 C ATOM 691 C LEU A 63 -10.942 8.849 3.149 1.00 0.84 C ATOM 692 O LEU A 63 -10.984 9.743 2.301 1.00 0.94 O ATOM 693 CB LEU A 63 -10.163 6.632 2.299 1.00 0.85 C ATOM 694 CG LEU A 63 -8.977 5.797 1.795 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.446 4.511 1.116 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.124 6.613 0.835 1.00 1.89 C ATOM 0 H LEU A 63 -9.474 6.442 4.688 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.914 8.331 2.726 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -10.821 5.985 2.880 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.735 6.977 1.438 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.376 5.521 2.661 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -8.581 3.945 0.772 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.013 3.910 1.827 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.079 4.759 0.264 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -7.287 6.007 0.487 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.729 6.921 -0.018 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -7.743 7.497 1.347 1.00 1.89 H new ATOM 708 N LYS A 64 -11.869 8.715 4.094 1.00 0.89 N ATOM 709 CA LYS A 64 -12.992 9.643 4.180 1.00 1.05 C ATOM 710 C LYS A 64 -12.519 10.998 4.701 1.00 1.03 C ATOM 711 O LYS A 64 -13.153 12.027 4.473 1.00 1.13 O ATOM 712 CB LYS A 64 -14.094 9.091 5.089 1.00 1.22 C ATOM 713 CG LYS A 64 -15.368 9.923 5.063 1.00 1.64 C ATOM 714 CD LYS A 64 -16.395 9.424 6.067 1.00 2.17 C ATOM 715 CE LYS A 64 -17.661 10.269 6.035 1.00 2.87 C ATOM 716 NZ LYS A 64 -17.388 11.695 6.357 1.00 3.41 N ATOM 0 H LYS A 64 -11.866 7.982 4.803 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.403 9.768 3.178 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -14.328 8.071 4.786 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.721 9.042 6.112 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -15.126 10.964 5.279 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -15.798 9.897 4.062 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -16.644 8.385 5.849 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -15.967 9.446 7.069 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -18.117 10.201 5.047 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -18.382 9.868 6.747 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -18.285 12.187 6.541 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -16.783 11.751 7.201 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.904 12.146 5.554 1.00 3.41 H new ATOM 730 N SER A 65 -11.391 10.988 5.393 1.00 0.97 N ATOM 731 CA SER A 65 -10.823 12.215 5.934 1.00 1.06 C ATOM 732 C SER A 65 -10.009 12.939 4.860 1.00 1.03 C ATOM 733 O SER A 65 -9.852 14.161 4.911 1.00 1.13 O ATOM 734 CB SER A 65 -9.957 11.913 7.168 1.00 1.18 C ATOM 735 OG SER A 65 -9.316 13.083 7.650 1.00 1.65 O ATOM 0 H SER A 65 -10.851 10.146 5.594 1.00 0.97 H new ATOM 0 HA SER A 65 -11.638 12.868 6.247 1.00 1.06 H new ATOM 0 HB2 SER A 65 -10.579 11.487 7.955 1.00 1.18 H new ATOM 0 HB3 SER A 65 -9.207 11.164 6.913 1.00 1.18 H new ATOM 0 HG SER A 65 -8.774 12.859 8.435 1.00 1.65 H new ATOM 741 N LEU A 66 -9.509 12.183 3.880 1.00 0.97 N ATOM 742 CA LEU A 66 -8.734 12.761 2.784 1.00 1.05 C ATOM 743 C LEU A 66 -9.572 13.750 1.984 1.00 1.20 C ATOM 744 O LEU A 66 -9.089 14.818 1.604 1.00 1.55 O ATOM 745 CB LEU A 66 -8.213 11.663 1.850 1.00 1.00 C ATOM 746 CG LEU A 66 -6.745 11.253 2.027 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.821 12.442 1.808 1.00 1.72 C ATOM 748 CD2 LEU A 66 -6.512 10.635 3.395 1.00 1.38 C ATOM 0 H LEU A 66 -9.628 11.171 3.824 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.888 13.289 3.223 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.833 10.777 1.986 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -8.353 11.995 0.821 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.515 10.499 1.274 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.786 12.127 1.939 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -5.958 12.828 0.798 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -6.056 13.224 2.530 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -5.464 10.354 3.493 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -6.768 11.358 4.169 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -7.137 9.749 3.505 1.00 1.38 H new ATOM 760 N GLY A 67 -10.826 13.393 1.735 1.00 1.07 N ATOM 761 CA GLY A 67 -11.733 14.297 1.053 1.00 1.26 C ATOM 762 C GLY A 67 -12.066 13.842 -0.356 1.00 1.22 C ATOM 763 O GLY A 67 -12.996 13.058 -0.547 1.00 1.28 O ATOM 0 H GLY A 67 -11.231 12.493 1.993 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.654 14.384 1.629 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.287 15.291 1.013 1.00 1.26 H new ATOM 767 N PRO A 68 -11.323 14.327 -1.364 1.00 1.24 N ATOM 768 CA PRO A 68 -11.519 13.935 -2.770 1.00 1.29 C ATOM 769 C PRO A 68 -11.272 12.444 -2.998 1.00 1.15 C ATOM 770 O PRO A 68 -10.736 11.761 -2.123 1.00 0.99 O ATOM 771 CB PRO A 68 -10.460 14.757 -3.521 1.00 1.41 C ATOM 772 CG PRO A 68 -9.457 15.133 -2.488 1.00 1.56 C ATOM 773 CD PRO A 68 -10.232 15.304 -1.219 1.00 1.35 C ATOM 0 HA PRO A 68 -12.542 14.116 -3.099 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.003 14.174 -4.321 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.901 15.641 -3.982 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -8.696 14.360 -2.381 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -8.941 16.054 -2.759 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.620 15.098 -0.341 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.612 16.320 -1.112 1.00 1.35 H new ATOM 781 N PRO A 69 -11.679 11.914 -4.168 1.00 1.30 N ATOM 782 CA PRO A 69 -11.356 10.542 -4.563 1.00 1.26 C ATOM 783 C PRO A 69 -9.853 10.304 -4.512 1.00 1.05 C ATOM 784 O PRO A 69 -9.081 10.989 -5.186 1.00 1.17 O ATOM 785 CB PRO A 69 -11.870 10.447 -6.002 1.00 1.53 C ATOM 786 CG PRO A 69 -12.928 11.492 -6.099 1.00 1.89 C ATOM 787 CD PRO A 69 -12.492 12.605 -5.186 1.00 1.58 C ATOM 0 HA PRO A 69 -11.802 9.797 -3.904 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.070 10.626 -6.720 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.272 9.456 -6.214 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -13.034 11.847 -7.124 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.897 11.096 -5.797 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.912 13.358 -5.719 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.345 13.116 -4.740 1.00 1.58 H new ATOM 795 N VAL A 70 -9.436 9.353 -3.699 1.00 0.85 N ATOM 796 CA VAL A 70 -8.022 9.136 -3.450 1.00 0.67 C ATOM 797 C VAL A 70 -7.498 7.948 -4.253 1.00 0.60 C ATOM 798 O VAL A 70 -8.224 6.983 -4.503 1.00 0.66 O ATOM 799 CB VAL A 70 -7.769 8.916 -1.943 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.289 8.765 -1.642 1.00 0.99 C ATOM 801 CG2 VAL A 70 -8.350 10.065 -1.143 1.00 1.08 C ATOM 0 H VAL A 70 -10.056 8.717 -3.198 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.483 10.027 -3.772 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.264 7.989 -1.654 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -6.149 8.612 -0.572 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.893 7.908 -2.186 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.761 9.667 -1.951 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -8.166 9.899 -0.082 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.879 10.998 -1.452 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -9.424 10.125 -1.320 1.00 1.08 H new ATOM 811 N LYS A 71 -6.239 8.033 -4.665 1.00 0.55 N ATOM 812 CA LYS A 71 -5.610 6.958 -5.421 1.00 0.54 C ATOM 813 C LYS A 71 -4.870 6.029 -4.470 1.00 0.43 C ATOM 814 O LYS A 71 -4.159 6.483 -3.569 1.00 0.41 O ATOM 815 CB LYS A 71 -4.663 7.517 -6.493 1.00 0.65 C ATOM 816 CG LYS A 71 -3.865 6.449 -7.221 1.00 1.27 C ATOM 817 CD LYS A 71 -3.032 7.044 -8.341 1.00 1.74 C ATOM 818 CE LYS A 71 -3.903 7.657 -9.425 1.00 2.14 C ATOM 819 NZ LYS A 71 -3.092 8.190 -10.548 1.00 2.53 N ATOM 0 H LYS A 71 -5.634 8.835 -4.488 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.385 6.391 -5.936 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -5.246 8.082 -7.221 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.972 8.218 -6.025 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -3.213 5.936 -6.514 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.544 5.701 -7.629 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.367 7.806 -7.934 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -2.401 6.269 -8.776 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -4.597 6.906 -9.802 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -4.504 8.460 -8.998 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -3.722 8.600 -11.267 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -2.448 8.925 -10.193 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -2.537 7.419 -10.972 1.00 2.53 H new ATOM 833 N ILE A 72 -5.048 4.730 -4.669 1.00 0.45 N ATOM 834 CA ILE A 72 -4.553 3.742 -3.725 1.00 0.43 C ATOM 835 C ILE A 72 -3.379 2.960 -4.297 1.00 0.41 C ATOM 836 O ILE A 72 -3.530 2.192 -5.252 1.00 0.50 O ATOM 837 CB ILE A 72 -5.660 2.744 -3.325 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.984 3.472 -3.061 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.236 1.944 -2.099 1.00 0.58 C ATOM 840 CD1 ILE A 72 -6.922 4.481 -1.935 1.00 1.00 C ATOM 0 H ILE A 72 -5.532 4.338 -5.477 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.224 4.294 -2.845 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.813 2.054 -4.155 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -7.294 3.981 -3.974 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.752 2.734 -2.831 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -6.027 1.245 -1.829 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.324 1.391 -2.323 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -5.053 2.623 -1.267 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.898 4.951 -1.813 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -6.644 3.977 -1.009 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.179 5.243 -2.170 1.00 1.00 H new ATOM 852 N LEU A 73 -2.215 3.161 -3.708 1.00 0.37 N ATOM 853 CA LEU A 73 -1.036 2.388 -4.048 1.00 0.37 C ATOM 854 C LEU A 73 -0.832 1.313 -2.995 1.00 0.37 C ATOM 855 O LEU A 73 -0.883 1.598 -1.800 1.00 0.46 O ATOM 856 CB LEU A 73 0.199 3.289 -4.112 1.00 0.43 C ATOM 857 CG LEU A 73 1.525 2.563 -4.409 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.505 1.841 -5.757 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.688 3.538 -4.345 1.00 1.22 C ATOM 0 H LEU A 73 -2.061 3.862 -2.983 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.178 1.931 -5.027 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.038 4.046 -4.880 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.296 3.814 -3.162 1.00 0.43 H new ATOM 0 HG LEU A 73 1.654 1.801 -3.640 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.462 1.346 -5.919 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.707 1.099 -5.760 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.331 2.564 -6.554 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.618 3.010 -4.557 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.542 4.327 -5.083 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.740 3.978 -3.349 1.00 1.22 H new ATOM 871 N VAL A 74 -0.618 0.080 -3.420 1.00 0.40 N ATOM 872 CA VAL A 74 -0.423 -1.003 -2.468 1.00 0.40 C ATOM 873 C VAL A 74 0.757 -1.875 -2.884 1.00 0.39 C ATOM 874 O VAL A 74 0.935 -2.189 -4.064 1.00 0.47 O ATOM 875 CB VAL A 74 -1.698 -1.879 -2.258 1.00 0.48 C ATOM 876 CG1 VAL A 74 -2.942 -1.022 -2.094 1.00 1.30 C ATOM 877 CG2 VAL A 74 -1.904 -2.893 -3.360 1.00 1.16 C ATOM 0 H VAL A 74 -0.575 -0.195 -4.401 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.209 -0.532 -1.508 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.529 -2.434 -1.335 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -3.810 -1.665 -1.950 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -2.824 -0.372 -1.227 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -3.085 -0.414 -2.987 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -2.806 -3.472 -3.158 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.010 -2.377 -4.314 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -1.045 -3.563 -3.403 1.00 1.16 H new ATOM 887 N LEU A 75 1.577 -2.241 -1.910 1.00 0.38 N ATOM 888 CA LEU A 75 2.759 -3.050 -2.170 1.00 0.38 C ATOM 889 C LEU A 75 2.719 -4.320 -1.336 1.00 0.35 C ATOM 890 O LEU A 75 2.520 -4.277 -0.117 1.00 0.43 O ATOM 891 CB LEU A 75 4.060 -2.278 -1.874 1.00 0.48 C ATOM 892 CG LEU A 75 4.550 -1.292 -2.952 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.522 -1.932 -4.331 1.00 1.67 C ATOM 894 CD2 LEU A 75 3.745 0.001 -2.944 1.00 1.65 C ATOM 0 H LEU A 75 1.445 -1.990 -0.930 1.00 0.38 H new ATOM 0 HA LEU A 75 2.752 -3.305 -3.230 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.921 -1.723 -0.946 1.00 0.48 H new ATOM 0 HB3 LEU A 75 4.852 -3.005 -1.695 1.00 0.48 H new ATOM 0 HG LEU A 75 5.582 -1.039 -2.711 1.00 0.80 H new ATOM 0 HD11 LEU A 75 4.873 -1.214 -5.072 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.171 -2.808 -4.339 1.00 1.67 H new ATOM 0 HD13 LEU A 75 3.503 -2.233 -4.572 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.122 0.669 -3.718 1.00 1.65 H new ATOM 0 HD22 LEU A 75 2.696 -0.222 -3.137 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.841 0.483 -1.971 1.00 1.65 H new ATOM 906 N LEU A 76 2.895 -5.447 -1.999 1.00 0.34 N ATOM 907 CA LEU A 76 2.920 -6.736 -1.333 1.00 0.42 C ATOM 908 C LEU A 76 4.214 -7.454 -1.669 1.00 0.41 C ATOM 909 O LEU A 76 4.606 -7.520 -2.838 1.00 0.48 O ATOM 910 CB LEU A 76 1.727 -7.593 -1.773 1.00 0.55 C ATOM 911 CG LEU A 76 0.341 -7.008 -1.481 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.746 -7.907 -2.049 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.137 -6.820 0.013 1.00 1.76 C ATOM 0 H LEU A 76 3.024 -5.496 -3.010 1.00 0.34 H new ATOM 0 HA LEU A 76 2.856 -6.576 -0.257 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.807 -7.770 -2.846 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.801 -8.564 -1.283 1.00 0.55 H new ATOM 0 HG LEU A 76 0.277 -6.032 -1.963 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.724 -7.477 -1.833 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.619 -7.995 -3.128 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.676 -8.895 -1.594 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.854 -6.404 0.195 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.224 -7.783 0.516 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.894 -6.138 0.401 1.00 1.76 H new ATOM 925 N GLU A 77 4.887 -7.972 -0.651 1.00 0.46 N ATOM 926 CA GLU A 77 6.101 -8.744 -0.874 1.00 0.49 C ATOM 927 C GLU A 77 5.738 -10.051 -1.558 1.00 0.49 C ATOM 928 O GLU A 77 4.745 -10.684 -1.197 1.00 0.59 O ATOM 929 CB GLU A 77 6.835 -9.027 0.442 1.00 0.61 C ATOM 930 CG GLU A 77 8.074 -9.891 0.266 1.00 0.63 C ATOM 931 CD GLU A 77 8.774 -10.200 1.572 1.00 1.04 C ATOM 932 OE1 GLU A 77 9.946 -9.799 1.730 1.00 1.71 O ATOM 933 OE2 GLU A 77 8.165 -10.860 2.437 1.00 1.74 O ATOM 0 H GLU A 77 4.617 -7.873 0.328 1.00 0.46 H new ATOM 0 HA GLU A 77 6.771 -8.163 -1.507 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.123 -8.081 0.900 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.151 -9.521 1.132 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.792 -10.826 -0.218 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.771 -9.384 -0.402 1.00 0.63 H new ATOM 940 N ASP A 78 6.518 -10.458 -2.551 1.00 0.54 N ATOM 941 CA ASP A 78 6.203 -11.686 -3.265 1.00 0.61 C ATOM 942 C ASP A 78 6.551 -12.902 -2.421 1.00 0.63 C ATOM 943 O ASP A 78 7.632 -13.480 -2.532 1.00 0.72 O ATOM 944 CB ASP A 78 6.937 -11.753 -4.605 1.00 0.77 C ATOM 945 CG ASP A 78 6.708 -13.077 -5.311 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.542 -13.387 -5.643 1.00 1.59 O ATOM 947 OD2 ASP A 78 7.689 -13.820 -5.526 1.00 1.85 O ATOM 0 H ASP A 78 7.353 -9.969 -2.874 1.00 0.54 H new ATOM 0 HA ASP A 78 5.131 -11.687 -3.461 1.00 0.61 H new ATOM 0 HB2 ASP A 78 6.600 -10.938 -5.245 1.00 0.77 H new ATOM 0 HB3 ASP A 78 8.005 -11.609 -4.441 1.00 0.77 H new ATOM 952 N THR A 79 5.626 -13.253 -1.552 1.00 0.61 N ATOM 953 CA THR A 79 5.680 -14.493 -0.812 1.00 0.72 C ATOM 954 C THR A 79 4.497 -15.376 -1.195 1.00 0.78 C ATOM 955 O THR A 79 3.746 -15.033 -2.110 1.00 0.84 O ATOM 956 CB THR A 79 5.700 -14.216 0.698 1.00 0.77 C ATOM 957 OG1 THR A 79 5.050 -12.968 0.958 1.00 1.04 O ATOM 958 CG2 THR A 79 7.125 -14.170 1.221 1.00 1.20 C ATOM 0 H THR A 79 4.810 -12.680 -1.339 1.00 0.61 H new ATOM 0 HA THR A 79 6.599 -15.021 -1.065 1.00 0.72 H new ATOM 0 HB THR A 79 5.174 -15.022 1.209 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.060 -12.789 1.921 1.00 1.04 H new ATOM 0 HG21 THR A 79 7.113 -13.972 2.293 1.00 1.20 H new ATOM 0 HG22 THR A 79 7.612 -15.127 1.034 1.00 1.20 H new ATOM 0 HG23 THR A 79 7.674 -13.378 0.712 1.00 1.20 H new ATOM 966 N LYS A 80 4.315 -16.491 -0.508 1.00 0.84 N ATOM 967 CA LYS A 80 3.186 -17.368 -0.790 1.00 0.92 C ATOM 968 C LYS A 80 1.903 -16.800 -0.183 1.00 0.88 C ATOM 969 O LYS A 80 0.913 -16.571 -0.882 1.00 0.90 O ATOM 970 CB LYS A 80 3.457 -18.775 -0.250 1.00 1.09 C ATOM 971 CG LYS A 80 2.343 -19.770 -0.539 1.00 1.65 C ATOM 972 CD LYS A 80 2.724 -21.172 -0.095 1.00 2.05 C ATOM 973 CE LYS A 80 1.612 -22.171 -0.377 1.00 3.00 C ATOM 974 NZ LYS A 80 2.027 -23.564 -0.065 1.00 3.57 N ATOM 0 H LYS A 80 4.927 -16.810 0.243 1.00 0.84 H new ATOM 0 HA LYS A 80 3.057 -17.430 -1.871 1.00 0.92 H new ATOM 0 HB2 LYS A 80 4.385 -19.148 -0.683 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.609 -18.717 0.828 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.433 -19.459 -0.026 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.123 -19.772 -1.606 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.633 -21.483 -0.611 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.948 -21.168 0.972 1.00 2.05 H new ATOM 0 HE2 LYS A 80 0.733 -21.913 0.214 1.00 3.00 H new ATOM 0 HE3 LYS A 80 1.322 -22.105 -1.426 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 1.242 -24.214 -0.271 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 2.850 -23.820 -0.647 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 2.280 -23.634 0.941 1.00 3.57 H new ATOM 988 N ASP A 81 1.946 -16.535 1.116 1.00 0.90 N ATOM 989 CA ASP A 81 0.776 -16.063 1.851 1.00 0.93 C ATOM 990 C ASP A 81 0.399 -14.636 1.446 1.00 0.83 C ATOM 991 O ASP A 81 -0.747 -14.215 1.615 1.00 0.82 O ATOM 992 CB ASP A 81 0.996 -16.169 3.369 1.00 1.08 C ATOM 993 CG ASP A 81 2.046 -15.216 3.912 1.00 1.46 C ATOM 994 OD1 ASP A 81 1.807 -14.621 4.984 1.00 2.24 O ATOM 995 OD2 ASP A 81 3.117 -15.073 3.282 1.00 2.00 O ATOM 0 H ASP A 81 2.784 -16.639 1.687 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.061 -16.710 1.588 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.050 -15.978 3.876 1.00 1.08 H new ATOM 0 HB3 ASP A 81 1.288 -17.191 3.612 1.00 1.08 H new ATOM 1000 N ALA A 82 1.359 -13.888 0.923 1.00 0.82 N ATOM 1001 CA ALA A 82 1.093 -12.531 0.458 1.00 0.82 C ATOM 1002 C ALA A 82 0.455 -12.514 -0.932 1.00 0.82 C ATOM 1003 O ALA A 82 -0.038 -11.481 -1.380 1.00 0.84 O ATOM 1004 CB ALA A 82 2.361 -11.700 0.469 1.00 0.97 C ATOM 0 H ALA A 82 2.325 -14.194 0.809 1.00 0.82 H new ATOM 0 HA ALA A 82 0.377 -12.090 1.151 1.00 0.82 H new ATOM 0 HB1 ALA A 82 2.139 -10.692 0.118 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.756 -11.652 1.484 1.00 0.97 H new ATOM 0 HB3 ALA A 82 3.101 -12.157 -0.187 1.00 0.97 H new ATOM 1010 N ASP A 83 0.460 -13.644 -1.623 1.00 0.91 N ATOM 1011 CA ASP A 83 -0.157 -13.701 -2.944 1.00 1.03 C ATOM 1012 C ASP A 83 -1.636 -14.043 -2.810 1.00 0.98 C ATOM 1013 O ASP A 83 -2.473 -13.585 -3.594 1.00 1.03 O ATOM 1014 CB ASP A 83 0.545 -14.713 -3.853 1.00 1.27 C ATOM 1015 CG ASP A 83 0.100 -14.584 -5.298 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -0.847 -15.285 -5.703 1.00 2.22 O ATOM 1017 OD2 ASP A 83 0.692 -13.765 -6.034 1.00 2.33 O ATOM 0 H ASP A 83 0.875 -14.519 -1.302 1.00 0.91 H new ATOM 0 HA ASP A 83 -0.054 -12.720 -3.407 1.00 1.03 H new ATOM 0 HB2 ASP A 83 1.624 -14.568 -3.792 1.00 1.27 H new ATOM 0 HB3 ASP A 83 0.338 -15.723 -3.499 1.00 1.27 H new ATOM 1022 N LYS A 84 -1.958 -14.836 -1.797 1.00 0.96 N ATOM 1023 CA LYS A 84 -3.345 -15.180 -1.516 1.00 1.04 C ATOM 1024 C LYS A 84 -4.079 -13.990 -0.902 1.00 0.94 C ATOM 1025 O LYS A 84 -5.272 -13.809 -1.131 1.00 1.04 O ATOM 1026 CB LYS A 84 -3.438 -16.405 -0.598 1.00 1.17 C ATOM 1027 CG LYS A 84 -2.650 -16.267 0.690 1.00 1.67 C ATOM 1028 CD LYS A 84 -2.762 -17.502 1.572 1.00 2.01 C ATOM 1029 CE LYS A 84 -4.170 -17.682 2.114 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.240 -18.783 3.109 1.00 3.21 N ATOM 0 H LYS A 84 -1.280 -15.252 -1.158 1.00 0.96 H new ATOM 0 HA LYS A 84 -3.826 -15.434 -2.461 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -4.485 -16.586 -0.355 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -3.081 -17.281 -1.139 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -1.601 -16.086 0.454 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.008 -15.397 1.240 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -2.477 -18.385 0.999 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.060 -17.421 2.402 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -4.504 -16.753 2.576 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -4.853 -17.892 1.291 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -5.216 -18.876 3.456 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -3.946 -19.674 2.662 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.607 -18.571 3.907 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.363 -13.162 -0.140 1.00 0.80 N ATOM 1045 CA VAL A 85 -3.972 -11.969 0.440 1.00 0.77 C ATOM 1046 C VAL A 85 -4.303 -10.969 -0.665 1.00 0.68 C ATOM 1047 O VAL A 85 -5.252 -10.197 -0.555 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.072 -11.306 1.518 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -1.857 -10.636 0.900 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -3.866 -10.304 2.343 1.00 1.16 C ATOM 0 H VAL A 85 -2.377 -13.293 0.086 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.888 -12.280 0.942 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.717 -12.099 2.176 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -1.252 -10.184 1.686 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -1.263 -11.379 0.367 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -2.183 -9.864 0.203 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -3.215 -9.852 3.092 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -4.261 -9.527 1.689 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -4.691 -10.814 2.840 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.520 -11.008 -1.743 1.00 0.60 N ATOM 1061 CA LYS A 86 -3.786 -10.196 -2.924 1.00 0.59 C ATOM 1062 C LYS A 86 -5.170 -10.512 -3.489 1.00 0.69 C ATOM 1063 O LYS A 86 -5.881 -9.620 -3.953 1.00 0.78 O ATOM 1064 CB LYS A 86 -2.701 -10.434 -3.981 1.00 0.62 C ATOM 1065 CG LYS A 86 -2.995 -9.803 -5.333 1.00 0.79 C ATOM 1066 CD LYS A 86 -1.798 -9.905 -6.265 1.00 1.07 C ATOM 1067 CE LYS A 86 -2.159 -9.521 -7.691 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.075 -10.509 -8.319 1.00 2.30 N ATOM 0 H LYS A 86 -2.692 -11.598 -1.820 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.768 -9.144 -2.639 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -1.755 -10.042 -3.608 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -2.570 -11.508 -4.115 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -3.855 -10.296 -5.787 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.264 -8.755 -5.197 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.000 -9.256 -5.905 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -1.411 -10.924 -6.250 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.629 -8.538 -7.694 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -1.249 -9.441 -8.286 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.083 -10.369 -9.350 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -2.748 -11.472 -8.103 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -4.036 -10.378 -7.945 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.553 -11.786 -3.425 1.00 0.75 N ATOM 1083 CA LYS A 87 -6.880 -12.206 -3.866 1.00 0.89 C ATOM 1084 C LYS A 87 -7.948 -11.552 -2.995 1.00 0.88 C ATOM 1085 O LYS A 87 -8.969 -11.067 -3.488 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.038 -13.727 -3.779 1.00 1.06 C ATOM 1087 CG LYS A 87 -5.905 -14.526 -4.405 1.00 1.85 C ATOM 1088 CD LYS A 87 -5.706 -14.191 -5.872 1.00 2.29 C ATOM 1089 CE LYS A 87 -4.800 -15.207 -6.554 1.00 3.21 C ATOM 1090 NZ LYS A 87 -3.542 -15.437 -5.796 1.00 3.93 N ATOM 0 H LYS A 87 -4.965 -12.542 -3.073 1.00 0.75 H new ATOM 0 HA LYS A 87 -6.998 -11.897 -4.905 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.125 -14.009 -2.730 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -7.973 -14.009 -4.264 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -4.981 -14.329 -3.861 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -6.115 -15.591 -4.303 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -6.672 -14.166 -6.376 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -5.273 -13.195 -5.964 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.334 -16.151 -6.664 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -4.558 -14.859 -7.558 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -2.749 -15.537 -6.461 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -3.365 -14.630 -5.165 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -3.631 -16.306 -5.231 1.00 3.93 H new ATOM 1104 N GLU A 88 -7.690 -11.540 -1.692 1.00 0.90 N ATOM 1105 CA GLU A 88 -8.624 -10.996 -0.718 1.00 0.98 C ATOM 1106 C GLU A 88 -8.736 -9.480 -0.855 1.00 0.96 C ATOM 1107 O GLU A 88 -9.828 -8.922 -0.756 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.178 -11.376 0.695 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.107 -12.880 0.916 1.00 1.16 C ATOM 1110 CD GLU A 88 -7.579 -13.248 2.286 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -8.325 -13.102 3.276 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -6.420 -13.704 2.379 1.00 2.58 O ATOM 0 H GLU A 88 -6.830 -11.906 -1.284 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.610 -11.421 -0.907 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.198 -10.940 0.890 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.869 -10.941 1.417 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.101 -13.309 0.788 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.467 -13.325 0.154 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.605 -8.823 -1.095 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.581 -7.377 -1.303 1.00 0.93 C ATOM 1121 C ILE A 89 -8.422 -7.000 -2.521 1.00 0.87 C ATOM 1122 O ILE A 89 -9.097 -5.971 -2.527 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.138 -6.850 -1.488 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.295 -7.135 -0.241 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.135 -5.358 -1.800 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -5.841 -6.513 1.027 1.00 1.17 C ATOM 0 H ILE A 89 -6.690 -9.270 -1.151 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.002 -6.914 -0.411 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.696 -7.375 -2.335 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.223 -8.214 -0.102 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.283 -6.767 -0.407 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.108 -5.014 -1.925 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.693 -5.177 -2.719 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.602 -4.814 -0.979 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.188 -6.761 1.864 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -5.887 -5.430 0.911 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -6.842 -6.900 1.220 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.392 -7.854 -3.537 1.00 0.81 N ATOM 1139 CA GLU A 90 -9.198 -7.640 -4.738 1.00 0.79 C ATOM 1140 C GLU A 90 -10.682 -7.664 -4.385 1.00 0.79 C ATOM 1141 O GLU A 90 -11.453 -6.813 -4.833 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.894 -8.701 -5.807 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.929 -8.761 -6.919 1.00 1.35 C ATOM 1144 CD GLU A 90 -9.656 -9.876 -7.901 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -10.126 -11.011 -7.668 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -8.963 -9.629 -8.905 1.00 2.08 O ATOM 0 H GLU A 90 -7.821 -8.699 -3.556 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.942 -6.663 -5.147 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.916 -8.495 -6.243 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.830 -9.678 -5.329 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.919 -8.899 -6.483 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -9.944 -7.809 -7.450 1.00 1.35 H new ATOM 1153 N LYS A 91 -11.068 -8.632 -3.561 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.453 -8.764 -3.129 1.00 0.93 C ATOM 1155 C LYS A 91 -12.880 -7.531 -2.343 1.00 0.96 C ATOM 1156 O LYS A 91 -13.944 -6.961 -2.584 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.624 -10.021 -2.269 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.225 -11.303 -2.985 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.410 -12.532 -2.105 1.00 1.93 C ATOM 1160 CE LYS A 91 -13.872 -12.762 -1.761 1.00 2.60 C ATOM 1161 NZ LYS A 91 -14.078 -14.030 -1.014 1.00 3.12 N ATOM 0 H LYS A 91 -10.439 -9.338 -3.179 1.00 0.85 H new ATOM 0 HA LYS A 91 -13.085 -8.854 -4.012 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.025 -9.917 -1.364 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.665 -10.098 -1.955 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -12.822 -11.413 -3.890 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -11.183 -11.234 -3.297 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -12.014 -13.409 -2.617 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -11.835 -12.412 -1.187 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -14.239 -11.927 -1.165 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -14.461 -12.782 -2.678 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -15.089 -14.147 -0.800 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -13.752 -14.831 -1.592 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -13.537 -14.002 -0.126 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.025 -7.117 -1.415 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.274 -5.931 -0.603 1.00 1.17 C ATOM 1177 C LYS A 92 -12.406 -4.690 -1.473 1.00 1.08 C ATOM 1178 O LYS A 92 -13.338 -3.901 -1.309 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.142 -5.737 0.406 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.015 -6.875 1.400 1.00 1.59 C ATOM 1181 CD LYS A 92 -9.819 -6.685 2.312 1.00 1.81 C ATOM 1182 CE LYS A 92 -9.730 -7.792 3.348 1.00 2.18 C ATOM 1183 NZ LYS A 92 -8.572 -7.601 4.258 1.00 2.41 N ATOM 0 H LYS A 92 -11.146 -7.590 -1.205 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.213 -6.079 -0.069 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.201 -5.629 -0.133 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.306 -4.807 0.950 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -11.924 -6.940 1.999 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -10.919 -7.819 0.864 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -8.906 -6.667 1.717 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -9.892 -5.720 2.814 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.650 -7.819 3.931 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -9.643 -8.755 2.845 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -8.863 -7.799 5.237 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -7.806 -8.251 3.987 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -8.234 -6.620 4.189 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.476 -4.534 -2.408 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.452 -3.374 -3.287 1.00 0.99 C ATOM 1199 C ALA A 93 -12.740 -3.258 -4.095 1.00 0.90 C ATOM 1200 O ALA A 93 -13.302 -2.170 -4.231 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.252 -3.442 -4.216 1.00 1.01 C ATOM 0 H ALA A 93 -10.724 -5.202 -2.576 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.369 -2.485 -2.662 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.246 -2.568 -4.868 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.336 -3.460 -3.626 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.312 -4.346 -4.822 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.210 -4.385 -4.620 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.441 -4.402 -5.411 1.00 0.85 C ATOM 1209 C ARG A 94 -15.649 -4.045 -4.552 1.00 0.86 C ATOM 1210 O ARG A 94 -16.537 -3.317 -4.995 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.655 -5.764 -6.087 1.00 0.93 C ATOM 1212 CG ARG A 94 -13.570 -6.112 -7.090 1.00 1.31 C ATOM 1213 CD ARG A 94 -13.832 -7.444 -7.776 1.00 1.63 C ATOM 1214 NE ARG A 94 -12.838 -7.721 -8.815 1.00 2.21 N ATOM 1215 CZ ARG A 94 -12.821 -8.825 -9.562 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.734 -9.770 -9.379 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -11.886 -8.981 -10.491 1.00 3.67 N ATOM 0 H ARG A 94 -12.762 -5.295 -4.514 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.335 -3.648 -6.191 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.696 -6.539 -5.322 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -15.621 -5.764 -6.592 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.505 -5.325 -7.841 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -12.606 -6.149 -6.583 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.818 -8.244 -7.036 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -14.828 -7.436 -8.218 1.00 1.63 H new ATOM 0 HE ARG A 94 -12.111 -7.024 -8.978 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -14.453 -9.653 -8.665 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.717 -10.613 -9.953 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -11.182 -8.257 -10.633 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -11.872 -9.825 -11.063 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.670 -4.540 -3.320 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.767 -4.250 -2.401 1.00 1.02 C ATOM 1233 C LYS A 95 -16.793 -2.773 -2.025 1.00 1.02 C ATOM 1234 O LYS A 95 -17.859 -2.167 -1.920 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.654 -5.096 -1.134 1.00 1.23 C ATOM 1236 CG LYS A 95 -16.811 -6.588 -1.372 1.00 1.55 C ATOM 1237 CD LYS A 95 -16.750 -7.370 -0.069 1.00 2.10 C ATOM 1238 CE LYS A 95 -15.424 -7.161 0.647 1.00 2.52 C ATOM 1239 NZ LYS A 95 -15.391 -7.833 1.969 1.00 3.34 N ATOM 0 H LYS A 95 -14.943 -5.142 -2.934 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.696 -4.499 -2.914 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -15.684 -4.912 -0.672 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.413 -4.770 -0.423 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.762 -6.780 -1.869 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.025 -6.935 -2.043 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.568 -7.060 0.581 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -16.890 -8.431 -0.274 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -14.613 -7.543 0.026 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -15.248 -6.093 0.779 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -14.470 -7.664 2.421 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -16.148 -7.451 2.572 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -15.532 -8.856 1.842 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.615 -2.196 -1.827 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.506 -0.794 -1.436 1.00 1.03 C ATOM 1255 C LYS A 96 -15.618 0.125 -2.648 1.00 0.96 C ATOM 1256 O LYS A 96 -15.658 1.348 -2.508 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.174 -0.533 -0.722 1.00 1.15 C ATOM 1258 CG LYS A 96 -13.971 -1.347 0.548 1.00 1.29 C ATOM 1259 CD LYS A 96 -14.944 -0.945 1.647 1.00 1.68 C ATOM 1260 CE LYS A 96 -14.681 -1.723 2.926 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.593 -1.321 4.028 1.00 2.17 N ATOM 0 H LYS A 96 -14.721 -2.676 -1.930 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.329 -0.579 -0.754 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.358 -0.749 -1.412 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.110 0.526 -0.474 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.096 -2.406 0.323 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -12.949 -1.215 0.903 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -14.854 0.123 1.843 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.967 -1.123 1.314 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.798 -2.789 2.731 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -13.648 -1.568 3.237 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.519 -2.006 4.807 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.327 -0.376 4.371 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -16.572 -1.299 3.678 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.671 -0.484 -3.835 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.699 0.250 -5.103 1.00 0.86 C ATOM 1277 C ASN A 97 -14.464 1.129 -5.236 1.00 0.87 C ATOM 1278 O ASN A 97 -14.517 2.221 -5.800 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.969 1.104 -5.229 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.207 0.284 -5.537 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.295 -0.892 -5.187 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -19.175 0.901 -6.194 1.00 2.33 N ATOM 0 H ASN A 97 -15.696 -1.498 -3.945 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.703 -0.483 -5.909 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.125 1.652 -4.300 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.826 1.845 -6.016 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -20.032 0.400 -6.428 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.064 1.878 -6.467 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.351 0.627 -4.731 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.127 1.405 -4.639 1.00 0.84 C ATOM 1291 C LEU A 98 -11.045 0.816 -5.545 1.00 0.71 C ATOM 1292 O LEU A 98 -10.539 -0.275 -5.281 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.650 1.413 -3.185 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.450 2.314 -2.878 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.803 3.789 -3.036 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -9.939 2.032 -1.474 1.00 2.08 C ATOM 0 H LEU A 98 -13.269 -0.325 -4.375 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.324 2.425 -4.967 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.482 1.721 -2.552 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.395 0.392 -2.901 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.662 2.089 -3.597 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -9.928 4.399 -2.810 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.123 3.979 -4.061 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.611 4.045 -2.350 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.086 2.676 -1.261 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.731 2.229 -0.752 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.633 0.988 -1.401 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.710 1.497 -6.657 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.597 1.085 -7.517 1.00 0.85 C ATOM 1310 C PRO A 99 -8.271 1.057 -6.759 1.00 0.70 C ATOM 1311 O PRO A 99 -7.889 2.042 -6.125 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.549 2.152 -8.615 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.875 2.834 -8.580 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.408 2.687 -7.177 1.00 1.10 C ATOM 0 HA PRO A 99 -9.744 0.076 -7.902 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.740 2.861 -8.436 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.367 1.701 -9.590 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.775 3.886 -8.846 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.558 2.386 -9.301 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.196 3.570 -6.574 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.489 2.550 -7.172 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.576 -0.070 -6.822 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.304 -0.231 -6.124 1.00 0.47 C ATOM 1324 C VAL A 100 -5.237 -0.751 -7.079 1.00 0.42 C ATOM 1325 O VAL A 100 -5.525 -1.567 -7.957 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.427 -1.194 -4.916 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.391 -0.641 -3.877 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -6.870 -2.580 -5.364 1.00 1.35 C ATOM 0 H VAL A 100 -7.871 -0.891 -7.351 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.016 0.751 -5.749 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.441 -1.281 -4.460 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.460 -1.335 -3.039 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -7.028 0.323 -3.521 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.376 -0.515 -4.326 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -6.948 -3.235 -4.496 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.841 -2.511 -5.855 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.139 -2.988 -6.062 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.011 -0.269 -6.931 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.922 -0.738 -7.772 1.00 0.43 C ATOM 1340 C ARG A 101 -1.968 -1.610 -6.959 1.00 0.40 C ATOM 1341 O ARG A 101 -1.109 -1.107 -6.233 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.176 0.451 -8.383 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.359 0.095 -9.616 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.731 1.330 -10.241 1.00 1.40 C ATOM 1345 NE ARG A 101 -0.106 1.039 -11.532 1.00 2.23 N ATOM 1346 CZ ARG A 101 0.424 1.966 -12.330 1.00 2.89 C ATOM 1347 NH1 ARG A 101 0.390 3.247 -11.985 1.00 2.96 N ATOM 1348 NH2 ARG A 101 0.975 1.613 -13.484 1.00 3.87 N ATOM 0 H ARG A 101 -3.748 0.438 -6.245 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.335 -1.339 -8.582 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.898 1.224 -8.647 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.513 0.878 -7.630 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.577 -0.614 -9.344 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -1.998 -0.400 -10.347 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.495 2.096 -10.373 1.00 1.40 H new ATOM 0 HD3 ARG A 101 0.017 1.739 -9.561 1.00 1.40 H new ATOM 0 HE ARG A 101 -0.074 0.067 -11.840 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.043 3.527 -11.105 1.00 2.96 H new ATOM 0 HH12 ARG A 101 0.797 3.952 -12.600 1.00 2.96 H new ATOM 0 HH21 ARG A 101 0.993 0.632 -13.761 1.00 3.87 H new ATOM 0 HH22 ARG A 101 1.380 2.323 -14.094 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.149 -2.920 -7.077 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.319 -3.894 -6.386 1.00 0.43 C ATOM 1364 C ILE A 102 -0.073 -4.226 -7.194 1.00 0.45 C ATOM 1365 O ILE A 102 -0.162 -4.534 -8.383 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.094 -5.211 -6.127 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.491 -4.919 -5.562 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.310 -6.119 -5.182 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.307 -6.161 -5.269 1.00 0.76 C ATOM 0 H ILE A 102 -2.878 -3.336 -7.657 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.034 -3.443 -5.436 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.214 -5.728 -7.079 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.387 -4.340 -4.645 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.036 -4.297 -6.272 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.870 -7.038 -5.012 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.344 -6.359 -5.626 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.155 -5.608 -4.232 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.280 -5.872 -4.873 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.444 -6.732 -6.188 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.785 -6.775 -4.535 1.00 0.76 H new ATOM 1381 N ARG A 103 1.082 -4.168 -6.552 1.00 0.41 N ATOM 1382 CA ARG A 103 2.318 -4.577 -7.190 1.00 0.50 C ATOM 1383 C ARG A 103 3.104 -5.510 -6.274 1.00 0.43 C ATOM 1384 O ARG A 103 3.315 -5.215 -5.097 1.00 0.53 O ATOM 1385 CB ARG A 103 3.156 -3.358 -7.575 1.00 0.65 C ATOM 1386 CG ARG A 103 4.399 -3.711 -8.387 1.00 1.12 C ATOM 1387 CD ARG A 103 4.848 -2.558 -9.290 1.00 1.27 C ATOM 1388 NE ARG A 103 3.746 -2.044 -10.102 1.00 1.83 N ATOM 1389 CZ ARG A 103 3.896 -1.475 -11.297 1.00 2.44 C ATOM 1390 NH1 ARG A 103 5.099 -1.370 -11.844 1.00 2.64 N ATOM 1391 NH2 ARG A 103 2.836 -1.028 -11.954 1.00 3.34 N ATOM 0 H ARG A 103 1.188 -3.842 -5.591 1.00 0.41 H new ATOM 0 HA ARG A 103 2.074 -5.119 -8.103 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.538 -2.669 -8.151 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.459 -2.834 -6.669 1.00 0.65 H new ATOM 0 HG2 ARG A 103 5.210 -3.976 -7.709 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.194 -4.590 -8.998 1.00 1.12 H new ATOM 0 HD2 ARG A 103 5.254 -1.753 -8.677 1.00 1.27 H new ATOM 0 HD3 ARG A 103 5.652 -2.899 -9.942 1.00 1.27 H new ATOM 0 HE ARG A 103 2.800 -2.127 -9.729 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.917 -1.726 -11.349 1.00 2.64 H new ATOM 0 HH12 ARG A 103 5.207 -0.933 -12.759 1.00 2.64 H new ATOM 0 HH21 ARG A 103 1.906 -1.120 -11.545 1.00 3.34 H new ATOM 0 HH22 ARG A 103 2.950 -0.592 -12.869 1.00 3.34 H new ATOM 1405 N LYS A 104 3.509 -6.648 -6.821 1.00 0.38 N ATOM 1406 CA LYS A 104 4.265 -7.647 -6.079 1.00 0.39 C ATOM 1407 C LYS A 104 5.760 -7.363 -6.181 1.00 0.37 C ATOM 1408 O LYS A 104 6.347 -7.493 -7.257 1.00 0.46 O ATOM 1409 CB LYS A 104 3.966 -9.042 -6.632 1.00 0.51 C ATOM 1410 CG LYS A 104 2.527 -9.495 -6.437 1.00 0.63 C ATOM 1411 CD LYS A 104 2.171 -10.648 -7.371 1.00 1.06 C ATOM 1412 CE LYS A 104 3.134 -11.819 -7.231 1.00 1.50 C ATOM 1413 NZ LYS A 104 3.013 -12.494 -5.913 1.00 1.91 N ATOM 0 H LYS A 104 3.323 -6.904 -7.791 1.00 0.38 H new ATOM 0 HA LYS A 104 3.968 -7.603 -5.031 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.198 -9.056 -7.697 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.630 -9.761 -6.152 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.379 -9.805 -5.402 1.00 0.63 H new ATOM 0 HG3 LYS A 104 1.853 -8.658 -6.618 1.00 0.63 H new ATOM 0 HD2 LYS A 104 1.157 -10.986 -7.158 1.00 1.06 H new ATOM 0 HD3 LYS A 104 2.179 -10.294 -8.402 1.00 1.06 H new ATOM 0 HE2 LYS A 104 2.943 -12.541 -8.025 1.00 1.50 H new ATOM 0 HE3 LYS A 104 4.156 -11.464 -7.362 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 3.947 -12.839 -5.613 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 2.650 -11.819 -5.209 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.357 -13.297 -5.993 1.00 1.91 H new ATOM 1427 N VAL A 105 6.369 -6.974 -5.069 1.00 0.35 N ATOM 1428 CA VAL A 105 7.791 -6.647 -5.049 1.00 0.39 C ATOM 1429 C VAL A 105 8.461 -7.191 -3.794 1.00 0.46 C ATOM 1430 O VAL A 105 7.846 -7.260 -2.735 1.00 0.52 O ATOM 1431 CB VAL A 105 8.039 -5.115 -5.094 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.538 -4.507 -6.391 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.390 -4.422 -3.903 1.00 0.55 C ATOM 0 H VAL A 105 5.901 -6.877 -4.168 1.00 0.35 H new ATOM 0 HA VAL A 105 8.218 -7.109 -5.939 1.00 0.39 H new ATOM 0 HB VAL A 105 9.117 -4.961 -5.043 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.728 -3.434 -6.387 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.058 -4.965 -7.232 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.467 -4.685 -6.486 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.579 -3.350 -3.959 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.315 -4.602 -3.918 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.811 -4.817 -2.978 1.00 0.55 H new ATOM 1443 N THR A 106 9.709 -7.605 -3.921 1.00 0.52 N ATOM 1444 CA THR A 106 10.538 -7.829 -2.756 1.00 0.61 C ATOM 1445 C THR A 106 11.917 -7.220 -3.003 1.00 0.58 C ATOM 1446 O THR A 106 12.817 -7.863 -3.540 1.00 0.67 O ATOM 1447 CB THR A 106 10.637 -9.337 -2.402 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.595 -9.548 -1.358 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.001 -10.182 -3.617 1.00 1.64 C ATOM 0 H THR A 106 10.166 -7.791 -4.814 1.00 0.52 H new ATOM 0 HA THR A 106 10.079 -7.342 -1.896 1.00 0.61 H new ATOM 0 HB THR A 106 9.652 -9.652 -2.056 1.00 0.80 H new ATOM 0 HG1 THR A 106 11.643 -10.504 -1.147 1.00 1.32 H new ATOM 0 HG21 THR A 106 11.060 -11.231 -3.326 1.00 1.64 H new ATOM 0 HG22 THR A 106 10.238 -10.061 -4.386 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.966 -9.859 -4.009 1.00 1.64 H new ATOM 1457 N SER A 107 12.054 -5.967 -2.576 1.00 0.50 N ATOM 1458 CA SER A 107 13.253 -5.155 -2.783 1.00 0.51 C ATOM 1459 C SER A 107 13.008 -3.760 -2.214 1.00 0.45 C ATOM 1460 O SER A 107 12.037 -3.098 -2.586 1.00 0.44 O ATOM 1461 CB SER A 107 13.595 -5.036 -4.276 1.00 0.56 C ATOM 1462 OG SER A 107 14.247 -6.195 -4.767 1.00 1.36 O ATOM 0 H SER A 107 11.320 -5.476 -2.066 1.00 0.50 H new ATOM 0 HA SER A 107 14.090 -5.637 -2.278 1.00 0.51 H new ATOM 0 HB2 SER A 107 12.681 -4.866 -4.845 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.234 -4.167 -4.433 1.00 0.56 H new ATOM 0 HG SER A 107 14.057 -6.953 -4.175 1.00 1.36 H new ATOM 1468 N PRO A 108 13.875 -3.296 -1.302 1.00 0.47 N ATOM 1469 CA PRO A 108 13.728 -1.981 -0.670 1.00 0.49 C ATOM 1470 C PRO A 108 13.834 -0.832 -1.669 1.00 0.43 C ATOM 1471 O PRO A 108 13.068 0.130 -1.602 1.00 0.47 O ATOM 1472 CB PRO A 108 14.890 -1.916 0.324 1.00 0.63 C ATOM 1473 CG PRO A 108 15.871 -2.928 -0.158 1.00 0.69 C ATOM 1474 CD PRO A 108 15.059 -4.015 -0.803 1.00 0.55 C ATOM 0 HA PRO A 108 12.746 -1.874 -0.209 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.332 -0.920 0.349 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.556 -2.142 1.336 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.569 -2.487 -0.870 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.464 -3.321 0.668 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.606 -4.501 -1.611 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.787 -4.793 -0.089 1.00 0.55 H new ATOM 1482 N ASP A 109 14.783 -0.934 -2.594 1.00 0.46 N ATOM 1483 CA ASP A 109 15.000 0.119 -3.580 1.00 0.50 C ATOM 1484 C ASP A 109 13.802 0.255 -4.507 1.00 0.41 C ATOM 1485 O ASP A 109 13.356 1.365 -4.801 1.00 0.44 O ATOM 1486 CB ASP A 109 16.263 -0.146 -4.397 1.00 0.64 C ATOM 1487 CG ASP A 109 16.552 0.978 -5.368 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.412 0.769 -6.589 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.902 2.085 -4.908 1.00 2.37 O ATOM 0 H ASP A 109 15.412 -1.732 -2.682 1.00 0.46 H new ATOM 0 HA ASP A 109 15.127 1.055 -3.036 1.00 0.50 H new ATOM 0 HB2 ASP A 109 17.111 -0.272 -3.724 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.151 -1.081 -4.946 1.00 0.64 H new ATOM 1494 N GLU A 110 13.277 -0.884 -4.938 1.00 0.38 N ATOM 1495 CA GLU A 110 12.139 -0.925 -5.847 1.00 0.38 C ATOM 1496 C GLU A 110 10.901 -0.304 -5.209 1.00 0.36 C ATOM 1497 O GLU A 110 10.098 0.332 -5.890 1.00 0.42 O ATOM 1498 CB GLU A 110 11.842 -2.371 -6.240 1.00 0.43 C ATOM 1499 CG GLU A 110 12.988 -3.052 -6.968 1.00 0.68 C ATOM 1500 CD GLU A 110 13.185 -2.530 -8.373 1.00 1.32 C ATOM 1501 OE1 GLU A 110 13.775 -1.442 -8.538 1.00 2.01 O ATOM 1502 OE2 GLU A 110 12.750 -3.208 -9.324 1.00 2.12 O ATOM 0 H GLU A 110 13.627 -1.803 -4.668 1.00 0.38 H new ATOM 0 HA GLU A 110 12.394 -0.347 -6.735 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.604 -2.941 -5.342 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.956 -2.391 -6.875 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.908 -2.910 -6.401 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.800 -4.125 -7.007 1.00 0.68 H new ATOM 1509 N ALA A 111 10.773 -0.456 -3.895 1.00 0.33 N ATOM 1510 CA ALA A 111 9.578 -0.015 -3.197 1.00 0.35 C ATOM 1511 C ALA A 111 9.542 1.500 -3.144 1.00 0.34 C ATOM 1512 O ALA A 111 8.502 2.123 -3.356 1.00 0.41 O ATOM 1513 CB ALA A 111 9.532 -0.602 -1.793 1.00 0.38 C ATOM 0 H ALA A 111 11.482 -0.880 -3.296 1.00 0.33 H new ATOM 0 HA ALA A 111 8.702 -0.368 -3.740 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.630 -0.261 -1.285 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.524 -1.690 -1.854 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.409 -0.276 -1.233 1.00 0.38 H new ATOM 1519 N LYS A 112 10.704 2.081 -2.882 1.00 0.32 N ATOM 1520 CA LYS A 112 10.846 3.527 -2.830 1.00 0.34 C ATOM 1521 C LYS A 112 10.513 4.159 -4.177 1.00 0.37 C ATOM 1522 O LYS A 112 9.951 5.254 -4.234 1.00 0.42 O ATOM 1523 CB LYS A 112 12.271 3.896 -2.438 1.00 0.40 C ATOM 1524 CG LYS A 112 12.723 3.300 -1.118 1.00 0.48 C ATOM 1525 CD LYS A 112 14.127 3.754 -0.753 1.00 0.62 C ATOM 1526 CE LYS A 112 15.215 2.983 -1.493 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.307 3.343 -2.939 1.00 1.51 N ATOM 0 H LYS A 112 11.567 1.568 -2.701 1.00 0.32 H new ATOM 0 HA LYS A 112 10.148 3.908 -2.084 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.950 3.567 -3.225 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.352 4.982 -2.381 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.029 3.591 -0.330 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.696 2.212 -1.181 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.228 4.816 -0.974 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.273 3.637 0.321 1.00 0.62 H new ATOM 0 HE2 LYS A 112 16.176 3.174 -1.015 1.00 1.11 H new ATOM 0 HE3 LYS A 112 15.020 1.914 -1.402 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.233 3.051 -3.311 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 14.554 2.857 -3.466 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 15.198 4.372 -3.048 1.00 1.51 H new ATOM 1541 N ARG A 113 10.855 3.462 -5.257 1.00 0.38 N ATOM 1542 CA ARG A 113 10.637 3.991 -6.596 1.00 0.46 C ATOM 1543 C ARG A 113 9.151 4.147 -6.888 1.00 0.43 C ATOM 1544 O ARG A 113 8.714 5.198 -7.345 1.00 0.50 O ATOM 1545 CB ARG A 113 11.270 3.098 -7.663 1.00 0.57 C ATOM 1546 CG ARG A 113 11.113 3.673 -9.059 1.00 0.77 C ATOM 1547 CD ARG A 113 11.632 2.736 -10.137 1.00 1.01 C ATOM 1548 NE ARG A 113 11.471 3.316 -11.472 1.00 1.68 N ATOM 1549 CZ ARG A 113 11.195 2.611 -12.569 1.00 2.13 C ATOM 1550 NH1 ARG A 113 11.051 1.293 -12.501 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.062 3.225 -13.738 1.00 2.96 N ATOM 0 H ARG A 113 11.281 2.536 -5.230 1.00 0.38 H new ATOM 0 HA ARG A 113 11.115 4.970 -6.630 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.329 2.967 -7.443 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.812 2.110 -7.625 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.060 3.887 -9.244 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.646 4.622 -9.120 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.685 2.520 -9.957 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.098 1.787 -10.084 1.00 1.01 H new ATOM 0 HE ARG A 113 11.577 4.326 -11.569 1.00 1.68 H new ATOM 0 HH11 ARG A 113 11.152 0.815 -11.606 1.00 1.97 H new ATOM 0 HH12 ARG A 113 10.840 0.759 -13.344 1.00 1.97 H new ATOM 0 HH21 ARG A 113 11.171 4.237 -13.798 1.00 2.96 H new ATOM 0 HH22 ARG A 113 10.851 2.684 -14.577 1.00 2.96 H new ATOM 1565 N TRP A 114 8.376 3.103 -6.612 1.00 0.39 N ATOM 1566 CA TRP A 114 6.946 3.121 -6.903 1.00 0.39 C ATOM 1567 C TRP A 114 6.233 4.175 -6.064 1.00 0.40 C ATOM 1568 O TRP A 114 5.204 4.717 -6.468 1.00 0.46 O ATOM 1569 CB TRP A 114 6.330 1.738 -6.681 1.00 0.38 C ATOM 1570 CG TRP A 114 6.965 0.674 -7.529 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.452 -0.530 -7.107 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.202 0.729 -8.944 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.974 -1.226 -8.171 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.833 -0.473 -9.308 1.00 0.63 C ATOM 1575 CE3 TRP A 114 6.940 1.679 -9.937 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 8.208 -0.749 -10.621 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 7.314 1.402 -11.238 1.00 1.29 C ATOM 1578 CH2 TRP A 114 7.941 0.198 -11.570 1.00 1.25 C ATOM 0 H TRP A 114 8.712 2.238 -6.189 1.00 0.39 H new ATOM 0 HA TRP A 114 6.818 3.385 -7.953 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.429 1.466 -5.630 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.263 1.781 -6.900 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.430 -0.883 -6.087 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.398 -2.153 -8.123 1.00 0.40 H new ATOM 0 HE3 TRP A 114 6.454 2.612 -9.691 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 8.693 -1.679 -10.880 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 7.118 2.129 -12.012 1.00 1.29 H new ATOM 0 HH2 TRP A 114 8.220 0.012 -12.597 1.00 1.25 H new ATOM 1589 N ILE A 115 6.794 4.467 -4.900 1.00 0.38 N ATOM 1590 CA ILE A 115 6.292 5.544 -4.060 1.00 0.41 C ATOM 1591 C ILE A 115 6.566 6.892 -4.726 1.00 0.47 C ATOM 1592 O ILE A 115 5.693 7.757 -4.789 1.00 0.55 O ATOM 1593 CB ILE A 115 6.941 5.509 -2.657 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.571 4.206 -1.940 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.518 6.717 -1.830 1.00 0.45 C ATOM 1596 CD1 ILE A 115 7.215 4.054 -0.580 1.00 0.44 C ATOM 0 H ILE A 115 7.599 3.972 -4.515 1.00 0.38 H new ATOM 0 HA ILE A 115 5.217 5.408 -3.940 1.00 0.41 H new ATOM 0 HB ILE A 115 8.024 5.549 -2.776 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.488 4.160 -1.826 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.862 3.362 -2.566 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.988 6.668 -0.848 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.829 7.631 -2.336 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.434 6.717 -1.714 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.906 3.108 -0.135 1.00 0.44 H new ATOM 0 HD12 ILE A 115 8.300 4.067 -0.687 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.904 4.877 0.064 1.00 0.44 H new ATOM 1608 N LYS A 116 7.779 7.041 -5.248 1.00 0.50 N ATOM 1609 CA LYS A 116 8.183 8.257 -5.947 1.00 0.60 C ATOM 1610 C LYS A 116 7.385 8.460 -7.230 1.00 0.57 C ATOM 1611 O LYS A 116 7.125 9.595 -7.640 1.00 0.69 O ATOM 1612 CB LYS A 116 9.680 8.212 -6.259 1.00 0.73 C ATOM 1613 CG LYS A 116 10.538 8.861 -5.191 1.00 1.18 C ATOM 1614 CD LYS A 116 10.349 10.367 -5.193 1.00 1.85 C ATOM 1615 CE LYS A 116 11.147 11.048 -4.096 1.00 2.50 C ATOM 1616 NZ LYS A 116 11.005 12.527 -4.157 1.00 3.13 N ATOM 0 H LYS A 116 8.506 6.327 -5.199 1.00 0.50 H new ATOM 0 HA LYS A 116 7.976 9.102 -5.290 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.987 7.173 -6.380 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.860 8.710 -7.212 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.276 8.458 -4.213 1.00 1.18 H new ATOM 0 HG3 LYS A 116 11.587 8.621 -5.365 1.00 1.18 H new ATOM 0 HD2 LYS A 116 10.650 10.768 -6.161 1.00 1.85 H new ATOM 0 HD3 LYS A 116 9.291 10.599 -5.067 1.00 1.85 H new ATOM 0 HE2 LYS A 116 10.811 10.689 -3.123 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.199 10.778 -4.189 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 10.925 12.908 -3.193 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 11.839 12.937 -4.623 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 10.151 12.772 -4.698 1.00 3.13 H new ATOM 1630 N GLU A 117 7.000 7.360 -7.860 1.00 0.53 N ATOM 1631 CA GLU A 117 6.195 7.415 -9.070 1.00 0.58 C ATOM 1632 C GLU A 117 4.859 8.103 -8.803 1.00 0.57 C ATOM 1633 O GLU A 117 4.329 8.806 -9.662 1.00 0.66 O ATOM 1634 CB GLU A 117 5.955 6.008 -9.621 1.00 0.70 C ATOM 1635 CG GLU A 117 7.222 5.308 -10.079 1.00 1.28 C ATOM 1636 CD GLU A 117 7.984 6.106 -11.111 1.00 1.51 C ATOM 1637 OE1 GLU A 117 9.088 6.594 -10.798 1.00 2.14 O ATOM 1638 OE2 GLU A 117 7.477 6.260 -12.241 1.00 1.93 O ATOM 0 H GLU A 117 7.233 6.416 -7.552 1.00 0.53 H new ATOM 0 HA GLU A 117 6.744 7.996 -9.811 1.00 0.58 H new ATOM 0 HB2 GLU A 117 5.474 5.403 -8.852 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.261 6.069 -10.459 1.00 0.70 H new ATOM 0 HG2 GLU A 117 7.865 5.127 -9.217 1.00 1.28 H new ATOM 0 HG3 GLU A 117 6.965 4.334 -10.495 1.00 1.28 H new ATOM 1645 N PHE A 118 4.325 7.896 -7.609 1.00 0.56 N ATOM 1646 CA PHE A 118 3.036 8.464 -7.240 1.00 0.66 C ATOM 1647 C PHE A 118 3.177 9.833 -6.577 1.00 0.73 C ATOM 1648 O PHE A 118 2.331 10.701 -6.769 1.00 0.88 O ATOM 1649 CB PHE A 118 2.279 7.510 -6.314 1.00 0.73 C ATOM 1650 CG PHE A 118 1.591 6.383 -7.034 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.265 6.085 -6.763 1.00 1.33 C ATOM 1652 CD2 PHE A 118 2.262 5.625 -7.983 1.00 1.27 C ATOM 1653 CE1 PHE A 118 -0.377 5.055 -7.420 1.00 1.57 C ATOM 1654 CE2 PHE A 118 1.623 4.593 -8.643 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.302 4.309 -8.361 1.00 1.41 C ATOM 0 H PHE A 118 4.765 7.338 -6.877 1.00 0.56 H new ATOM 0 HA PHE A 118 2.470 8.602 -8.161 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.977 7.093 -5.588 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.536 8.077 -5.752 1.00 0.73 H new ATOM 0 HD1 PHE A 118 -0.273 6.666 -6.028 1.00 1.33 H new ATOM 0 HD2 PHE A 118 3.295 5.844 -8.208 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -1.410 4.833 -7.198 1.00 1.57 H new ATOM 0 HE2 PHE A 118 2.156 4.009 -9.379 1.00 1.56 H new ATOM 0 HZ PHE A 118 -0.200 3.503 -8.877 1.00 1.41 H new ATOM 1665 N SER A 119 4.250 10.028 -5.814 1.00 0.69 N ATOM 1666 CA SER A 119 4.410 11.240 -5.016 1.00 0.80 C ATOM 1667 C SER A 119 4.465 12.485 -5.895 1.00 0.79 C ATOM 1668 O SER A 119 3.702 13.434 -5.698 1.00 0.90 O ATOM 1669 CB SER A 119 5.671 11.138 -4.153 1.00 0.93 C ATOM 1670 OG SER A 119 6.805 10.793 -4.932 1.00 1.20 O ATOM 0 H SER A 119 5.020 9.364 -5.732 1.00 0.69 H new ATOM 0 HA SER A 119 3.540 11.333 -4.367 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.848 12.089 -3.651 1.00 0.93 H new ATOM 0 HB3 SER A 119 5.521 10.390 -3.374 1.00 0.93 H new ATOM 0 HG SER A 119 7.421 11.555 -4.969 1.00 1.20 H new ATOM 1676 N GLU A 120 5.363 12.477 -6.869 1.00 0.81 N ATOM 1677 CA GLU A 120 5.520 13.615 -7.760 1.00 0.96 C ATOM 1678 C GLU A 120 4.812 13.375 -9.088 1.00 1.17 C ATOM 1679 O GLU A 120 4.771 14.264 -9.941 1.00 1.50 O ATOM 1680 CB GLU A 120 7.002 13.921 -8.001 1.00 1.08 C ATOM 1681 CG GLU A 120 7.679 14.653 -6.850 1.00 1.41 C ATOM 1682 CD GLU A 120 7.849 13.808 -5.606 1.00 2.00 C ATOM 1683 OE1 GLU A 120 8.622 12.835 -5.644 1.00 2.45 O ATOM 1684 OE2 GLU A 120 7.231 14.129 -4.570 1.00 2.77 O ATOM 0 H GLU A 120 5.992 11.697 -7.061 1.00 0.81 H new ATOM 0 HA GLU A 120 5.061 14.477 -7.276 1.00 0.96 H new ATOM 0 HB2 GLU A 120 7.530 12.985 -8.184 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.096 14.522 -8.905 1.00 1.08 H new ATOM 0 HG2 GLU A 120 8.658 15.001 -7.179 1.00 1.41 H new ATOM 0 HG3 GLU A 120 7.094 15.538 -6.600 1.00 1.41 H new ATOM 1691 N GLU A 121 4.245 12.179 -9.240 1.00 1.22 N ATOM 1692 CA GLU A 121 3.547 11.782 -10.465 1.00 1.56 C ATOM 1693 C GLU A 121 4.450 11.932 -11.690 1.00 2.02 C ATOM 1694 O GLU A 121 5.232 10.999 -11.975 1.00 2.60 O ATOM 1695 CB GLU A 121 2.258 12.593 -10.654 1.00 1.96 C ATOM 1696 CG GLU A 121 1.242 12.406 -9.539 1.00 2.47 C ATOM 1697 CD GLU A 121 -0.059 13.137 -9.807 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -0.990 12.519 -10.369 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -0.163 14.331 -9.456 1.00 3.84 O ATOM 1700 OXT GLU A 121 4.369 12.978 -12.372 1.00 2.53 O ATOM 0 H GLU A 121 4.256 11.458 -8.519 1.00 1.22 H new ATOM 0 HA GLU A 121 3.281 10.730 -10.362 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.513 13.650 -10.726 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.799 12.311 -11.601 1.00 1.96 H new ATOM 0 HG2 GLU A 121 1.038 11.343 -9.413 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.668 12.762 -8.601 1.00 2.47 H new TER 1707 GLU A 121