USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 143:sc= 1.23 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.11 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.703 K(o=-0.72,f=-1.5!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -168:sc= -0.0149 (180deg=-0.134) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 178:sc= 1.02 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.469 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.37 (180deg=2.19) USER MOD Single : A 2 GLN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.18 (180deg=0.639) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.95 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.857 K(o=-0.86,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.059 X(o=-0.059,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 0.208 K(o=0.21,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.199 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 89:sc= 0.89 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.095 -6.564 -4.978 1.00 9.67 N ATOM 2 CA MET A 1 11.059 -6.453 -3.567 1.00 10.38 C ATOM 3 C MET A 1 9.788 -6.999 -3.010 1.00 9.62 C ATOM 4 O MET A 1 8.724 -6.795 -3.611 1.00 9.62 O ATOM 5 CB MET A 1 11.288 -4.993 -3.229 1.00 13.77 C ATOM 6 CG MET A 1 11.560 -4.770 -1.727 1.00 16.29 C ATOM 7 SD MET A 1 11.887 -3.023 -1.354 1.00 17.17 S ATOM 8 CE MET A 1 10.221 -2.286 -1.194 1.00 16.11 C ATOM 0 H1 MET A 1 12.084 -6.588 -5.299 1.00 9.67 H new ATOM 0 H2 MET A 1 10.615 -7.439 -5.270 1.00 9.67 H new ATOM 0 H3 MET A 1 10.613 -5.746 -5.403 1.00 9.67 H new ATOM 0 HA MET A 1 11.842 -7.054 -3.104 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.132 -4.618 -3.807 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.414 -4.413 -3.527 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.702 -5.111 -1.148 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.414 -5.374 -1.418 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.218 -1.293 -1.643 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.493 -2.917 -1.704 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.957 -2.208 -0.139 1.00 16.11 H new ATOM 20 N GLN A 2 9.910 -7.827 -1.960 1.00 9.27 N ATOM 21 CA GLN A 2 8.725 -8.340 -1.312 1.00 9.07 C ATOM 22 C GLN A 2 8.277 -7.498 -0.133 1.00 8.72 C ATOM 23 O GLN A 2 9.076 -7.043 0.635 1.00 8.22 O ATOM 24 CB GLN A 2 9.096 -9.778 -0.810 1.00 14.46 C ATOM 25 CG GLN A 2 8.143 -10.434 0.257 1.00 17.01 C ATOM 26 CD GLN A 2 8.645 -11.927 0.622 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.724 -12.278 1.120 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.690 -12.852 0.319 1.00 19.49 N ATOM 0 H GLN A 2 10.796 -8.140 -1.562 1.00 9.27 H new ATOM 0 HA GLN A 2 7.896 -8.332 -2.019 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.139 -10.438 -1.676 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.100 -9.740 -0.388 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.120 -9.821 1.158 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.125 -10.471 -0.130 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.804 -12.555 -0.091 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.861 -13.841 0.502 1.00 19.49 H new ATOM 37 N ILE A 3 6.980 -7.283 -0.099 1.00 5.87 N ATOM 38 CA ILE A 3 6.301 -6.633 0.997 1.00 5.07 C ATOM 39 C ILE A 3 5.049 -7.415 1.301 1.00 4.01 C ATOM 40 O ILE A 3 4.504 -8.122 0.414 1.00 4.61 O ATOM 41 CB ILE A 3 5.857 -5.196 0.733 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.022 -5.039 -0.623 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.140 -4.339 0.845 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.119 -3.799 -0.716 1.00 10.83 C ATOM 0 H ILE A 3 6.353 -7.563 -0.853 1.00 5.87 H new ATOM 0 HA ILE A 3 7.026 -6.602 1.810 1.00 5.07 H new ATOM 0 HB ILE A 3 5.130 -4.845 1.465 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.723 -5.018 -1.458 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.402 -5.926 -0.750 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.895 -3.292 0.666 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.564 -4.447 1.843 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.867 -4.673 0.104 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.603 -3.796 -1.676 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.386 -3.821 0.090 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.727 -2.899 -0.629 1.00 10.83 H new ATOM 56 N PHE A 4 4.573 -7.301 2.590 1.00 4.55 N ATOM 57 CA PHE A 4 3.355 -7.851 3.168 1.00 4.68 C ATOM 58 C PHE A 4 2.426 -6.734 3.496 1.00 5.30 C ATOM 59 O PHE A 4 2.775 -5.799 4.249 1.00 5.58 O ATOM 60 CB PHE A 4 3.713 -8.706 4.424 1.00 4.83 C ATOM 61 CG PHE A 4 4.799 -9.665 4.189 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.449 -10.795 3.389 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.059 -9.469 4.701 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.503 -11.754 3.174 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.104 -10.371 4.473 1.00 10.61 C ATOM 66 CZ PHE A 4 6.801 -11.535 3.721 1.00 8.90 C ATOM 0 H PHE A 4 5.099 -6.771 3.285 1.00 4.55 H new ATOM 0 HA PHE A 4 2.854 -8.508 2.457 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.997 -8.040 5.238 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.825 -9.247 4.750 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.461 -10.922 2.973 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.249 -8.590 5.299 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.308 -12.644 2.595 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.098 -10.189 4.853 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.572 -12.273 3.559 1.00 8.90 H new ATOM 76 N VAL A 5 1.102 -6.763 3.096 1.00 4.44 N ATOM 77 CA VAL A 5 0.111 -5.757 3.451 1.00 3.87 C ATOM 78 C VAL A 5 -0.916 -6.427 4.315 1.00 4.93 C ATOM 79 O VAL A 5 -1.493 -7.472 3.956 1.00 6.84 O ATOM 80 CB VAL A 5 -0.548 -5.235 2.203 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.534 -4.121 2.510 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.457 -4.876 1.072 1.00 9.13 C ATOM 0 H VAL A 5 0.723 -7.508 2.512 1.00 4.44 H new ATOM 0 HA VAL A 5 0.577 -4.923 3.975 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.131 -6.061 1.796 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.988 -3.771 1.583 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.311 -4.496 3.176 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.011 -3.295 2.992 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.089 -4.507 0.204 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.142 -4.105 1.425 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.024 -5.764 0.793 1.00 9.13 H new ATOM 92 N LYS A 6 -1.200 -5.815 5.435 1.00 6.04 N ATOM 93 CA LYS A 6 -2.255 -6.251 6.347 1.00 6.12 C ATOM 94 C LYS A 6 -3.565 -5.533 6.136 1.00 6.57 C ATOM 95 O LYS A 6 -3.585 -4.297 6.047 1.00 5.76 O ATOM 96 CB LYS A 6 -1.908 -6.190 7.875 1.00 7.45 C ATOM 97 CG LYS A 6 -0.743 -7.179 8.203 1.00 11.12 C ATOM 98 CD LYS A 6 -1.229 -8.628 8.330 1.00 14.54 C ATOM 99 CE LYS A 6 -0.058 -9.534 8.699 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.473 -10.975 8.675 1.00 20.55 N ATOM 0 H LYS A 6 -0.703 -4.984 5.755 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.352 -7.302 6.075 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.622 -5.175 8.150 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.788 -6.444 8.466 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.013 -7.119 7.420 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.263 -6.876 9.134 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.007 -8.695 9.091 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.673 -8.956 7.390 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.764 -9.376 8.001 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.311 -9.273 9.691 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.370 -11.580 8.744 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.104 -11.168 9.479 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.973 -11.178 7.786 1.00 20.55 H new ATOM 114 N THR A 7 -4.697 -6.258 6.126 1.00 7.41 N ATOM 115 CA THR A 7 -5.972 -5.610 5.857 1.00 7.48 C ATOM 116 C THR A 7 -6.882 -5.502 7.106 1.00 8.75 C ATOM 117 O THR A 7 -6.612 -5.973 8.186 1.00 8.58 O ATOM 118 CB THR A 7 -6.657 -6.293 4.677 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.413 -7.478 5.142 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.721 -6.804 3.483 1.00 9.17 C ATOM 0 H THR A 7 -4.747 -7.262 6.297 1.00 7.41 H new ATOM 0 HA THR A 7 -5.770 -4.574 5.583 1.00 7.48 H new ATOM 0 HB THR A 7 -7.278 -5.495 4.271 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.850 -7.908 4.377 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.336 -7.269 2.712 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.182 -5.958 3.056 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.007 -7.533 3.867 1.00 9.17 H new ATOM 128 N LEU A 8 -8.010 -4.824 6.959 1.00 9.84 N ATOM 129 CA LEU A 8 -9.044 -4.710 7.960 1.00 14.15 C ATOM 130 C LEU A 8 -9.639 -6.012 8.462 1.00 17.37 C ATOM 131 O LEU A 8 -9.746 -6.160 9.676 1.00 17.01 O ATOM 132 CB LEU A 8 -10.204 -3.833 7.339 1.00 16.63 C ATOM 133 CG LEU A 8 -11.550 -3.679 8.047 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.303 -3.190 9.529 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.333 -2.658 7.335 1.00 18.59 C ATOM 0 H LEU A 8 -8.233 -4.320 6.101 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.569 -4.267 8.835 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.803 -2.829 7.198 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.411 -4.236 6.348 1.00 16.63 H new ATOM 0 HG LEU A 8 -12.082 -4.631 8.057 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.260 -3.078 10.039 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.693 -3.923 10.057 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.785 -2.231 9.514 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.299 -2.533 7.825 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.794 -1.711 7.349 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.488 -2.973 6.303 1.00 18.59 H new ATOM 147 N THR A 9 -9.933 -6.972 7.523 1.00 18.33 N ATOM 148 CA THR A 9 -10.478 -8.262 7.838 1.00 19.24 C ATOM 149 C THR A 9 -9.457 -9.280 8.106 1.00 19.48 C ATOM 150 O THR A 9 -9.723 -10.462 8.297 1.00 23.14 O ATOM 151 CB THR A 9 -11.318 -8.808 6.738 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.696 -8.811 5.465 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.531 -7.903 6.574 1.00 19.70 C ATOM 0 H THR A 9 -9.782 -6.831 6.524 1.00 18.33 H new ATOM 0 HA THR A 9 -11.069 -8.074 8.735 1.00 19.24 H new ATOM 0 HB THR A 9 -11.540 -9.836 7.024 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.312 -9.185 4.801 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.163 -8.284 5.772 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.098 -7.883 7.504 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.201 -6.894 6.328 1.00 19.70 H new ATOM 161 N GLY A 10 -8.103 -8.932 8.194 1.00 19.43 N ATOM 162 CA GLY A 10 -7.064 -9.796 8.776 1.00 18.74 C ATOM 163 C GLY A 10 -6.223 -10.542 7.760 1.00 17.62 C ATOM 164 O GLY A 10 -5.209 -11.161 8.118 1.00 19.74 O ATOM 0 H GLY A 10 -7.741 -8.041 7.855 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.406 -9.185 9.394 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.540 -10.521 9.436 1.00 18.74 H new ATOM 168 N LYS A 11 -6.538 -10.439 6.450 1.00 13.56 N ATOM 169 CA LYS A 11 -5.792 -11.044 5.369 1.00 11.91 C ATOM 170 C LYS A 11 -4.381 -10.459 5.228 1.00 10.18 C ATOM 171 O LYS A 11 -4.164 -9.290 5.555 1.00 9.10 O ATOM 172 CB LYS A 11 -6.562 -10.941 4.035 1.00 13.43 C ATOM 173 CG LYS A 11 -7.839 -11.839 4.151 1.00 16.69 C ATOM 174 CD LYS A 11 -8.745 -11.833 2.929 1.00 17.92 C ATOM 175 CE LYS A 11 -8.118 -12.288 1.644 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.132 -12.557 0.552 1.00 21.93 N ATOM 0 H LYS A 11 -7.348 -9.911 6.125 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.677 -12.098 5.623 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.839 -9.906 3.833 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.936 -11.271 3.206 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.526 -12.865 4.347 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.418 -11.511 5.015 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.605 -12.469 3.136 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -9.124 -10.821 2.787 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.415 -11.529 1.300 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.542 -13.195 1.829 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.702 -13.158 -0.180 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.958 -13.042 0.957 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.433 -11.656 0.128 1.00 21.93 H new ATOM 190 N THR A 12 -3.449 -11.274 4.732 1.00 9.63 N ATOM 191 CA THR A 12 -2.069 -10.927 4.375 1.00 9.85 C ATOM 192 C THR A 12 -1.866 -10.803 2.910 1.00 11.66 C ATOM 193 O THR A 12 -1.958 -11.805 2.227 1.00 12.33 O ATOM 194 CB THR A 12 -1.031 -11.815 5.030 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.374 -12.176 6.358 1.00 10.91 O ATOM 196 CG2 THR A 12 0.341 -11.004 5.013 1.00 9.63 C ATOM 0 H THR A 12 -3.649 -12.259 4.557 1.00 9.63 H new ATOM 0 HA THR A 12 -1.909 -9.933 4.794 1.00 9.85 H new ATOM 0 HB THR A 12 -0.957 -12.753 4.480 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.689 -12.775 6.722 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.124 -11.604 5.476 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.618 -10.779 3.983 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.221 -10.074 5.568 1.00 9.63 H new ATOM 204 N ILE A 13 -1.588 -9.653 2.341 1.00 10.42 N ATOM 205 CA ILE A 13 -1.360 -9.535 0.892 1.00 11.84 C ATOM 206 C ILE A 13 0.101 -9.448 0.528 1.00 10.55 C ATOM 207 O ILE A 13 0.847 -8.675 1.144 1.00 11.92 O ATOM 208 CB ILE A 13 -2.039 -8.338 0.200 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.461 -8.056 0.698 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.114 -8.573 -1.309 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.119 -6.772 0.226 1.00 16.46 C ATOM 0 H ILE A 13 -1.511 -8.773 2.850 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.816 -10.457 0.533 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.420 -7.475 0.446 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.095 -8.890 0.399 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.441 -8.045 1.788 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.596 -7.720 -1.787 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.107 -8.692 -1.709 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.692 -9.475 -1.508 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.120 -6.698 0.652 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.523 -5.918 0.548 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.187 -6.777 -0.862 1.00 16.46 H new ATOM 223 N THR A 14 0.628 -10.296 -0.330 1.00 9.39 N ATOM 224 CA THR A 14 2.060 -10.362 -0.473 1.00 9.63 C ATOM 225 C THR A 14 2.345 -9.961 -1.891 1.00 11.20 C ATOM 226 O THR A 14 1.781 -10.612 -2.792 1.00 11.63 O ATOM 227 CB THR A 14 2.678 -11.732 -0.212 1.00 10.38 C ATOM 228 OG1 THR A 14 2.166 -12.204 1.027 1.00 16.30 O ATOM 229 CG2 THR A 14 4.212 -11.676 -0.116 1.00 11.66 C ATOM 0 H THR A 14 0.098 -10.934 -0.924 1.00 9.39 H new ATOM 0 HA THR A 14 2.505 -9.710 0.279 1.00 9.63 H new ATOM 0 HB THR A 14 2.425 -12.389 -1.044 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.545 -13.086 1.223 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.602 -12.677 0.070 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.621 -11.296 -1.052 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.502 -11.016 0.702 1.00 11.66 H new ATOM 237 N LEU A 15 3.222 -8.975 -2.138 1.00 8.29 N ATOM 238 CA LEU A 15 3.396 -8.446 -3.463 1.00 9.03 C ATOM 239 C LEU A 15 4.864 -8.377 -3.851 1.00 8.59 C ATOM 240 O LEU A 15 5.809 -8.544 -3.085 1.00 7.79 O ATOM 241 CB LEU A 15 2.934 -7.004 -3.483 1.00 11.08 C ATOM 242 CG LEU A 15 1.466 -6.700 -3.031 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.223 -5.207 -2.841 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.363 -7.312 -3.877 1.00 15.27 C ATOM 0 H LEU A 15 3.811 -8.542 -1.427 1.00 8.29 H new ATOM 0 HA LEU A 15 2.839 -9.096 -4.138 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.606 -6.428 -2.847 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.056 -6.627 -4.499 1.00 11.08 H new ATOM 0 HG LEU A 15 1.397 -7.209 -2.070 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.192 -5.043 -2.528 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.900 -4.822 -2.078 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.403 -4.686 -3.782 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.608 -7.032 -3.467 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.444 -6.946 -4.900 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.460 -8.398 -3.871 1.00 15.27 H new ATOM 256 N GLU A 16 5.052 -8.157 -5.151 1.00 11.04 N ATOM 257 CA GLU A 16 6.317 -7.856 -5.716 1.00 11.50 C ATOM 258 C GLU A 16 6.322 -6.419 -6.182 1.00 10.13 C ATOM 259 O GLU A 16 5.671 -6.009 -7.177 1.00 9.83 O ATOM 260 CB GLU A 16 6.520 -8.769 -7.015 1.00 17.22 C ATOM 261 CG GLU A 16 7.895 -8.637 -7.623 1.00 23.33 C ATOM 262 CD GLU A 16 9.031 -9.314 -6.802 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.030 -10.550 -6.610 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.985 -8.567 -6.375 1.00 28.90 O ATOM 0 H GLU A 16 4.297 -8.189 -5.836 1.00 11.04 H new ATOM 0 HA GLU A 16 7.099 -8.029 -4.976 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.345 -9.812 -6.750 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.772 -8.500 -7.761 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.879 -9.070 -8.623 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.128 -7.578 -7.737 1.00 23.33 H new ATOM 271 N VAL A 17 7.044 -5.547 -5.430 1.00 8.99 N ATOM 272 CA VAL A 17 7.152 -4.130 -5.736 1.00 8.85 C ATOM 273 C VAL A 17 8.617 -3.909 -5.940 1.00 8.04 C ATOM 274 O VAL A 17 9.399 -4.872 -6.119 1.00 8.99 O ATOM 275 CB VAL A 17 6.609 -3.151 -4.641 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.070 -3.252 -4.511 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.211 -3.566 -3.292 1.00 10.54 C ATOM 0 H VAL A 17 7.562 -5.826 -4.597 1.00 8.99 H new ATOM 0 HA VAL A 17 6.528 -3.904 -6.600 1.00 8.85 H new ATOM 0 HB VAL A 17 6.879 -2.133 -4.921 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.724 -2.560 -3.743 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.607 -2.997 -5.464 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.794 -4.270 -4.234 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.848 -2.898 -2.511 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.915 -4.589 -3.061 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.298 -3.505 -3.345 1.00 10.54 H new ATOM 287 N GLU A 18 9.115 -2.673 -5.888 1.00 7.29 N ATOM 288 CA GLU A 18 10.526 -2.354 -5.790 1.00 7.08 C ATOM 289 C GLU A 18 10.665 -1.064 -5.085 1.00 6.45 C ATOM 290 O GLU A 18 9.575 -0.457 -4.986 1.00 5.28 O ATOM 291 CB GLU A 18 11.151 -2.297 -7.228 1.00 10.28 C ATOM 292 CG GLU A 18 10.612 -1.142 -8.103 1.00 12.65 C ATOM 293 CD GLU A 18 11.314 -1.142 -9.438 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.574 -0.945 -9.429 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.594 -1.175 -10.478 1.00 18.17 O ATOM 0 H GLU A 18 8.521 -1.844 -5.914 1.00 7.29 H new ATOM 0 HA GLU A 18 11.060 -3.120 -5.227 1.00 7.08 H new ATOM 0 HB2 GLU A 18 12.233 -2.197 -7.139 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.959 -3.243 -7.734 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.537 -1.254 -8.247 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.769 -0.188 -7.599 1.00 12.65 H new ATOM 302 N PRO A 19 11.869 -0.617 -4.691 1.00 7.24 N ATOM 303 CA PRO A 19 12.112 0.699 -4.110 1.00 7.07 C ATOM 304 C PRO A 19 11.532 1.871 -4.939 1.00 6.65 C ATOM 305 O PRO A 19 11.068 2.880 -4.388 1.00 6.37 O ATOM 306 CB PRO A 19 13.575 0.784 -3.896 1.00 7.61 C ATOM 307 CG PRO A 19 14.013 -0.643 -3.593 1.00 8.16 C ATOM 308 CD PRO A 19 13.060 -1.445 -4.494 1.00 7.49 C ATOM 0 HA PRO A 19 11.578 0.804 -3.166 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.081 1.173 -4.780 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.815 1.454 -3.070 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.060 -0.815 -3.845 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.893 -0.895 -2.539 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.533 -1.676 -5.449 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.798 -2.396 -4.030 1.00 7.49 H new ATOM 316 N SER A 20 11.709 1.788 -6.311 1.00 6.80 N ATOM 317 CA SER A 20 11.212 2.766 -7.196 1.00 6.28 C ATOM 318 C SER A 20 9.708 2.772 -7.516 1.00 8.45 C ATOM 319 O SER A 20 9.212 3.785 -8.045 1.00 7.26 O ATOM 320 CB SER A 20 11.965 2.652 -8.545 1.00 8.57 C ATOM 321 OG SER A 20 13.398 2.761 -8.300 1.00 11.13 O ATOM 0 H SER A 20 12.204 1.024 -6.771 1.00 6.80 H new ATOM 0 HA SER A 20 11.381 3.693 -6.648 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.736 1.700 -9.024 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.639 3.438 -9.226 1.00 8.57 H new ATOM 0 HG SER A 20 13.882 2.688 -9.149 1.00 11.13 H new ATOM 327 N ASP A 21 9.022 1.646 -7.193 1.00 7.50 N ATOM 328 CA ASP A 21 7.590 1.684 -7.234 1.00 7.70 C ATOM 329 C ASP A 21 6.956 2.650 -6.251 1.00 7.08 C ATOM 330 O ASP A 21 7.298 2.739 -5.076 1.00 8.11 O ATOM 331 CB ASP A 21 6.901 0.278 -7.019 1.00 11.00 C ATOM 332 CG ASP A 21 6.985 -0.644 -8.242 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.008 -0.127 -9.355 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.055 -1.895 -8.056 1.00 14.36 O ATOM 0 H ASP A 21 9.437 0.756 -6.918 1.00 7.50 H new ATOM 0 HA ASP A 21 7.408 2.033 -8.250 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.367 -0.219 -6.168 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.853 0.432 -6.763 1.00 11.00 H new ATOM 339 N THR A 22 5.866 3.373 -6.743 1.00 5.37 N ATOM 340 CA THR A 22 5.135 4.403 -5.927 1.00 6.01 C ATOM 341 C THR A 22 4.000 3.795 -5.185 1.00 8.01 C ATOM 342 O THR A 22 3.507 2.719 -5.574 1.00 8.11 O ATOM 343 CB THR A 22 4.553 5.518 -6.738 1.00 8.92 C ATOM 344 OG1 THR A 22 3.838 5.009 -7.875 1.00 10.22 O ATOM 345 CG2 THR A 22 5.670 6.424 -7.328 1.00 9.65 C ATOM 0 H THR A 22 5.493 3.253 -7.685 1.00 5.37 H new ATOM 0 HA THR A 22 5.897 4.802 -5.258 1.00 6.01 H new ATOM 0 HB THR A 22 3.900 6.072 -6.064 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.465 5.756 -8.388 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.218 7.225 -7.912 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.257 6.854 -6.516 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.320 5.829 -7.970 1.00 9.65 H new ATOM 353 N ILE A 23 3.467 4.437 -4.103 1.00 8.32 N ATOM 354 CA ILE A 23 2.351 4.000 -3.302 1.00 9.92 C ATOM 355 C ILE A 23 1.061 3.779 -4.197 1.00 10.01 C ATOM 356 O ILE A 23 0.281 2.835 -3.964 1.00 8.71 O ATOM 357 CB ILE A 23 2.012 5.094 -2.239 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.249 5.538 -1.365 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.888 4.594 -1.339 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.985 4.344 -0.777 1.00 12.30 C ATOM 0 H ILE A 23 3.849 5.323 -3.772 1.00 8.32 H new ATOM 0 HA ILE A 23 2.630 3.061 -2.824 1.00 9.92 H new ATOM 0 HB ILE A 23 1.699 5.981 -2.790 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.936 6.122 -1.978 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.909 6.188 -0.559 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.650 5.356 -0.597 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.004 4.386 -1.942 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.205 3.682 -0.834 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.829 4.694 -0.183 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.306 3.774 -0.143 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.348 3.707 -1.584 1.00 12.30 H new ATOM 372 N GLU A 24 0.881 4.556 -5.308 1.00 9.54 N ATOM 373 CA GLU A 24 -0.124 4.403 -6.320 1.00 11.81 C ATOM 374 C GLU A 24 -0.029 3.082 -7.069 1.00 11.14 C ATOM 375 O GLU A 24 -1.079 2.510 -7.497 1.00 10.62 O ATOM 376 CB GLU A 24 -0.094 5.604 -7.352 1.00 19.24 C ATOM 377 CG GLU A 24 -1.024 5.500 -8.611 1.00 27.76 C ATOM 378 CD GLU A 24 -0.999 6.732 -9.502 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.057 7.109 -10.077 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.031 7.412 -9.592 1.00 34.80 O ATOM 0 H GLU A 24 1.493 5.349 -5.500 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.075 4.407 -5.787 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.356 6.516 -6.815 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.932 5.723 -7.700 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.726 4.632 -9.200 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.048 5.324 -8.280 1.00 27.76 H new ATOM 387 N ASN A 25 1.204 2.544 -7.319 1.00 9.43 N ATOM 388 CA ASN A 25 1.337 1.321 -8.057 1.00 10.96 C ATOM 389 C ASN A 25 1.014 0.141 -7.109 1.00 9.68 C ATOM 390 O ASN A 25 0.478 -0.863 -7.527 1.00 9.33 O ATOM 391 CB ASN A 25 2.841 1.162 -8.641 1.00 16.78 C ATOM 392 CG ASN A 25 2.899 -0.010 -9.608 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.609 -1.012 -9.311 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.002 -0.098 -10.631 1.00 24.70 N ATOM 0 H ASN A 25 2.085 2.956 -7.012 1.00 9.43 H new ATOM 0 HA ASN A 25 0.647 1.330 -8.901 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.142 2.079 -9.148 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.544 1.005 -7.823 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.907 -0.970 -11.152 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.426 0.708 -10.875 1.00 24.70 H new ATOM 401 N VAL A 26 1.278 0.309 -5.832 1.00 6.52 N ATOM 402 CA VAL A 26 1.011 -0.685 -4.741 1.00 5.53 C ATOM 403 C VAL A 26 -0.500 -1.009 -4.656 1.00 4.42 C ATOM 404 O VAL A 26 -0.898 -2.191 -4.668 1.00 3.40 O ATOM 405 CB VAL A 26 1.559 -0.304 -3.429 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.304 -1.401 -2.409 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.098 -0.073 -3.502 1.00 8.12 C ATOM 0 H VAL A 26 1.702 1.167 -5.480 1.00 6.52 H new ATOM 0 HA VAL A 26 1.552 -1.590 -5.019 1.00 5.53 H new ATOM 0 HB VAL A 26 1.062 0.620 -3.133 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.715 -1.104 -1.444 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.231 -1.564 -2.311 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.783 -2.323 -2.739 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.471 0.207 -2.517 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.588 -0.990 -3.829 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.313 0.726 -4.212 1.00 8.12 H new ATOM 417 N LYS A 27 -1.376 0.070 -4.684 1.00 2.64 N ATOM 418 CA LYS A 27 -2.823 -0.067 -4.714 1.00 4.14 C ATOM 419 C LYS A 27 -3.349 -0.694 -6.003 1.00 5.58 C ATOM 420 O LYS A 27 -4.355 -1.396 -6.079 1.00 4.11 O ATOM 421 CB LYS A 27 -3.478 1.302 -4.597 1.00 3.97 C ATOM 422 CG LYS A 27 -3.042 2.196 -3.387 1.00 7.45 C ATOM 423 CD LYS A 27 -3.609 3.632 -3.332 1.00 9.02 C ATOM 424 CE LYS A 27 -3.352 4.407 -1.953 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.038 5.691 -1.942 1.00 15.47 N ATOM 0 H LYS A 27 -1.060 1.040 -4.685 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.070 -0.720 -3.877 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.277 1.853 -5.516 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.557 1.158 -4.541 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.328 1.684 -2.468 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.954 2.262 -3.390 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.171 4.211 -4.145 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.683 3.590 -3.514 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.699 3.798 -1.119 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.282 4.561 -1.812 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.640 6.291 -1.192 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.913 6.159 -2.862 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.052 5.541 -1.764 1.00 15.47 H new ATOM 439 N ALA A 28 -2.555 -0.644 -7.073 1.00 6.61 N ATOM 440 CA ALA A 28 -2.887 -1.265 -8.342 1.00 7.74 C ATOM 441 C ALA A 28 -2.687 -2.783 -8.333 1.00 9.17 C ATOM 442 O ALA A 28 -3.516 -3.563 -8.723 1.00 11.45 O ATOM 443 CB ALA A 28 -2.166 -0.572 -9.518 1.00 7.68 C ATOM 0 H ALA A 28 -1.655 -0.164 -7.076 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.956 -1.117 -8.495 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.438 -1.063 -10.452 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.462 0.476 -9.560 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.088 -0.639 -9.374 1.00 7.68 H new ATOM 449 N LYS A 29 -1.615 -3.223 -7.672 1.00 8.96 N ATOM 450 CA LYS A 29 -1.433 -4.641 -7.322 1.00 7.90 C ATOM 451 C LYS A 29 -2.538 -5.134 -6.383 1.00 6.92 C ATOM 452 O LYS A 29 -3.196 -6.096 -6.707 1.00 6.87 O ATOM 453 CB LYS A 29 -0.080 -4.831 -6.696 1.00 10.28 C ATOM 454 CG LYS A 29 1.076 -4.374 -7.634 1.00 14.94 C ATOM 455 CD LYS A 29 2.437 -4.521 -7.004 1.00 19.69 C ATOM 456 CE LYS A 29 3.476 -3.839 -7.840 1.00 22.63 C ATOM 457 NZ LYS A 29 3.533 -4.357 -9.230 1.00 24.98 N ATOM 0 H LYS A 29 -0.854 -2.618 -7.365 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.497 -5.234 -8.234 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.032 -4.269 -5.763 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.056 -5.882 -6.442 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.042 -4.958 -8.554 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.921 -3.332 -7.912 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.429 -4.093 -6.002 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.683 -5.577 -6.897 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.270 -2.769 -7.865 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.452 -3.965 -7.371 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.391 -4.001 -9.698 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.554 -5.397 -9.212 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.694 -4.037 -9.755 1.00 24.98 H new ATOM 471 N ILE A 30 -2.839 -4.389 -5.344 1.00 4.57 N ATOM 472 CA ILE A 30 -3.939 -4.736 -4.451 1.00 5.58 C ATOM 473 C ILE A 30 -5.283 -4.845 -5.132 1.00 7.26 C ATOM 474 O ILE A 30 -6.055 -5.742 -4.829 1.00 9.46 O ATOM 475 CB ILE A 30 -4.006 -3.855 -3.203 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.646 -3.989 -2.407 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.220 -4.245 -2.349 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.506 -2.920 -1.322 1.00 2.00 C ATOM 0 H ILE A 30 -2.341 -3.536 -5.090 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.695 -5.744 -4.116 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.135 -2.809 -3.481 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.589 -4.977 -1.951 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.810 -3.911 -3.102 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.260 -3.612 -1.462 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.132 -4.112 -2.931 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.132 -5.288 -2.046 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.557 -3.052 -0.802 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.535 -1.931 -1.780 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.326 -3.014 -0.610 1.00 2.00 H new ATOM 490 N GLN A 31 -5.529 -4.009 -6.211 1.00 7.06 N ATOM 491 CA GLN A 31 -6.665 -4.196 -7.145 1.00 8.67 C ATOM 492 C GLN A 31 -6.582 -5.569 -7.810 1.00 10.90 C ATOM 493 O GLN A 31 -7.499 -6.354 -7.846 1.00 9.63 O ATOM 494 CB GLN A 31 -6.923 -3.025 -8.189 1.00 9.12 C ATOM 495 CG GLN A 31 -8.308 -3.167 -8.895 1.00 10.76 C ATOM 496 CD GLN A 31 -8.498 -1.935 -9.806 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.483 -1.258 -9.637 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.504 -1.690 -10.725 1.00 14.76 N ATOM 0 H GLN A 31 -4.943 -3.205 -6.437 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.556 -4.147 -6.520 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.874 -2.064 -7.676 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.132 -3.027 -8.939 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.347 -4.085 -9.481 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.109 -3.225 -8.158 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.706 -2.322 -10.794 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.565 -0.876 -11.337 1.00 14.76 H new ATOM 507 N ASP A 32 -5.469 -5.878 -8.495 1.00 10.93 N ATOM 508 CA ASP A 32 -5.203 -7.085 -9.265 1.00 14.01 C ATOM 509 C ASP A 32 -5.341 -8.356 -8.458 1.00 14.04 C ATOM 510 O ASP A 32 -5.862 -9.366 -8.931 1.00 13.39 O ATOM 511 CB ASP A 32 -3.718 -7.127 -9.936 1.00 18.01 C ATOM 512 CG ASP A 32 -3.709 -6.127 -11.082 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.722 -5.612 -11.554 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.567 -5.884 -11.589 1.00 25.17 O ATOM 0 H ASP A 32 -4.677 -5.236 -8.521 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.965 -7.040 -10.043 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.956 -6.873 -9.199 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.489 -8.129 -10.299 1.00 18.01 H new ATOM 519 N LYS A 33 -4.862 -8.354 -7.185 1.00 14.22 N ATOM 520 CA LYS A 33 -4.935 -9.411 -6.190 1.00 14.00 C ATOM 521 C LYS A 33 -6.337 -9.578 -5.645 1.00 12.37 C ATOM 522 O LYS A 33 -6.902 -10.661 -5.538 1.00 12.17 O ATOM 523 CB LYS A 33 -3.934 -9.144 -5.014 1.00 18.62 C ATOM 524 CG LYS A 33 -2.439 -9.252 -5.443 1.00 24.00 C ATOM 525 CD LYS A 33 -2.004 -10.691 -5.862 1.00 27.61 C ATOM 526 CE LYS A 33 -0.497 -10.829 -5.784 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.083 -12.254 -6.007 1.00 30.06 N ATOM 0 H LYS A 33 -4.378 -7.535 -6.817 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.656 -10.338 -6.691 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.118 -8.149 -4.608 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.127 -9.856 -4.212 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.260 -8.572 -6.276 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.809 -8.918 -4.618 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.477 -11.425 -5.210 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.343 -10.900 -6.877 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.029 -10.188 -6.531 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.146 -10.491 -4.809 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.953 -12.328 -5.950 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.514 -12.859 -5.279 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.401 -12.565 -6.947 1.00 30.06 H new ATOM 541 N GLU A 34 -6.966 -8.533 -5.152 1.00 10.11 N ATOM 542 CA GLU A 34 -7.930 -8.640 -4.096 1.00 10.07 C ATOM 543 C GLU A 34 -9.184 -7.819 -4.473 1.00 9.32 C ATOM 544 O GLU A 34 -10.137 -7.775 -3.736 1.00 11.61 O ATOM 545 CB GLU A 34 -7.269 -8.105 -2.767 1.00 14.77 C ATOM 546 CG GLU A 34 -8.017 -8.255 -1.356 1.00 18.75 C ATOM 547 CD GLU A 34 -8.261 -9.721 -1.086 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.256 -10.504 -1.150 1.00 25.19 O ATOM 549 OE2 GLU A 34 -9.448 -10.096 -0.763 1.00 21.95 O ATOM 0 H GLU A 34 -6.816 -7.579 -5.481 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.237 -9.675 -3.945 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.302 -8.598 -2.670 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.072 -7.043 -2.913 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -7.412 -7.821 -0.560 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -8.962 -7.712 -1.370 1.00 18.75 H new ATOM 556 N GLY A 35 -9.147 -7.142 -5.668 1.00 7.22 N ATOM 557 CA GLY A 35 -10.286 -6.584 -6.342 1.00 6.29 C ATOM 558 C GLY A 35 -10.698 -5.274 -5.903 1.00 6.93 C ATOM 559 O GLY A 35 -11.770 -4.771 -6.306 1.00 7.41 O ATOM 0 H GLY A 35 -8.275 -6.985 -6.174 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.065 -6.536 -7.408 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.126 -7.268 -6.221 1.00 6.29 H new ATOM 563 N ILE A 36 -9.997 -4.725 -4.911 1.00 5.86 N ATOM 564 CA ILE A 36 -10.340 -3.493 -4.197 1.00 6.07 C ATOM 565 C ILE A 36 -10.052 -2.267 -5.050 1.00 6.36 C ATOM 566 O ILE A 36 -8.885 -2.177 -5.496 1.00 6.18 O ATOM 567 CB ILE A 36 -9.608 -3.414 -2.852 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.691 -4.703 -2.030 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.122 -2.156 -2.096 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.077 -4.776 -0.621 1.00 9.49 C ATOM 0 H ILE A 36 -9.134 -5.146 -4.567 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.411 -3.512 -3.994 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.538 -3.309 -3.033 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.747 -4.954 -1.933 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.228 -5.492 -2.623 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.615 -2.077 -1.134 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.915 -1.265 -2.689 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.196 -2.242 -1.934 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.240 -5.770 -0.204 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.007 -4.578 -0.680 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.549 -4.032 0.021 1.00 9.49 H new ATOM 582 N PRO A 37 -10.977 -1.297 -5.365 1.00 8.65 N ATOM 583 CA PRO A 37 -10.656 -0.211 -6.193 1.00 9.18 C ATOM 584 C PRO A 37 -9.511 0.623 -5.715 1.00 9.85 C ATOM 585 O PRO A 37 -9.569 0.922 -4.526 1.00 8.51 O ATOM 586 CB PRO A 37 -11.965 0.551 -6.281 1.00 11.42 C ATOM 587 CG PRO A 37 -13.060 -0.558 -6.094 1.00 9.27 C ATOM 588 CD PRO A 37 -12.389 -1.433 -5.010 1.00 8.33 C ATOM 0 HA PRO A 37 -10.285 -0.537 -7.164 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.035 1.316 -5.508 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.069 1.057 -7.241 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.014 -0.147 -5.764 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.252 -1.111 -7.014 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.596 -1.071 -4.003 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.725 -2.469 -5.052 1.00 8.33 H new ATOM 596 N PRO A 38 -8.505 1.102 -6.369 1.00 8.71 N ATOM 597 CA PRO A 38 -7.400 1.929 -5.845 1.00 9.08 C ATOM 598 C PRO A 38 -7.900 3.228 -5.161 1.00 9.28 C ATOM 599 O PRO A 38 -7.236 3.603 -4.193 1.00 6.50 O ATOM 600 CB PRO A 38 -6.509 2.242 -7.037 1.00 10.31 C ATOM 601 CG PRO A 38 -7.378 1.988 -8.229 1.00 10.81 C ATOM 602 CD PRO A 38 -8.360 0.877 -7.807 1.00 12.00 C ATOM 0 HA PRO A 38 -6.859 1.390 -5.067 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.161 3.275 -7.012 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.623 1.607 -7.049 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.913 2.891 -8.522 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.782 1.678 -9.088 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.314 0.961 -8.328 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.965 -0.116 -8.023 1.00 12.00 H new ATOM 610 N ASP A 39 -8.994 3.847 -5.552 1.00 11.20 N ATOM 611 CA ASP A 39 -9.423 5.127 -4.932 1.00 14.96 C ATOM 612 C ASP A 39 -10.012 4.883 -3.542 1.00 13.99 C ATOM 613 O ASP A 39 -10.140 5.763 -2.704 1.00 13.75 O ATOM 614 CB ASP A 39 -10.380 5.897 -5.932 1.00 24.16 C ATOM 615 CG ASP A 39 -9.639 6.209 -7.214 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.636 6.945 -7.162 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.013 5.671 -8.257 1.00 35.55 O ATOM 0 H ASP A 39 -9.612 3.505 -6.288 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.567 5.780 -4.761 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.259 5.290 -6.148 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.735 6.820 -5.473 1.00 24.16 H new ATOM 622 N GLN A 40 -10.350 3.645 -3.235 1.00 11.60 N ATOM 623 CA GLN A 40 -10.932 3.138 -1.971 1.00 10.76 C ATOM 624 C GLN A 40 -9.877 2.754 -0.963 1.00 8.01 C ATOM 625 O GLN A 40 -10.122 2.324 0.169 1.00 8.96 O ATOM 626 CB GLN A 40 -11.834 1.956 -2.294 1.00 11.14 C ATOM 627 CG GLN A 40 -12.689 1.352 -1.190 1.00 14.85 C ATOM 628 CD GLN A 40 -13.595 0.250 -1.730 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.290 0.549 -2.707 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.529 -0.985 -1.192 1.00 18.16 N ATOM 0 H GLN A 40 -10.220 2.891 -3.910 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.511 3.938 -1.510 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.504 2.264 -3.097 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.203 1.161 -2.693 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.045 0.946 -0.409 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.296 2.132 -0.730 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -12.932 -1.158 -0.383 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.076 -1.746 -1.594 1.00 18.16 H new ATOM 639 N GLN A 41 -8.603 2.908 -1.314 1.00 6.52 N ATOM 640 CA GLN A 41 -7.502 2.369 -0.543 1.00 3.87 C ATOM 641 C GLN A 41 -6.551 3.486 -0.055 1.00 4.79 C ATOM 642 O GLN A 41 -6.206 4.381 -0.769 1.00 6.34 O ATOM 643 CB GLN A 41 -6.691 1.423 -1.436 1.00 4.20 C ATOM 644 CG GLN A 41 -7.364 0.153 -1.844 1.00 3.20 C ATOM 645 CD GLN A 41 -6.413 -0.649 -2.715 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.287 -0.909 -2.298 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.823 -1.167 -3.878 1.00 7.13 N ATOM 0 H GLN A 41 -8.310 3.415 -2.149 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.917 1.852 0.322 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.408 1.965 -2.339 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.768 1.168 -0.914 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.646 -0.424 -0.963 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.282 0.371 -2.390 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.757 -0.955 -4.230 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.202 -1.774 -4.413 1.00 7.13 H new ATOM 656 N ARG A 42 -6.284 3.458 1.256 1.00 5.73 N ATOM 657 CA ARG A 42 -5.148 4.075 1.806 1.00 6.97 C ATOM 658 C ARG A 42 -4.187 3.091 2.393 1.00 7.15 C ATOM 659 O ARG A 42 -4.527 1.979 2.775 1.00 7.33 O ATOM 660 CB ARG A 42 -5.498 5.175 2.893 1.00 13.23 C ATOM 661 CG ARG A 42 -5.849 6.545 2.252 1.00 21.27 C ATOM 662 CD ARG A 42 -5.260 7.731 3.074 1.00 26.14 C ATOM 663 NE ARG A 42 -5.596 8.949 2.318 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.690 9.687 2.564 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.645 9.280 3.324 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.780 10.957 2.127 1.00 36.39 N ATOM 0 H ARG A 42 -6.878 2.993 1.943 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.672 4.572 0.961 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.339 4.832 3.496 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.651 5.298 3.568 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.463 6.580 1.233 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.932 6.650 2.186 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.687 7.762 4.076 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.181 7.628 3.191 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.967 9.246 1.572 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.589 8.363 3.767 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.459 9.874 3.483 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.010 11.371 1.601 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.618 11.505 2.322 1.00 36.39 H new ATOM 680 N LEU A 43 -2.947 3.495 2.469 1.00 4.65 N ATOM 681 CA LEU A 43 -1.833 2.690 3.006 1.00 3.51 C ATOM 682 C LEU A 43 -1.051 3.395 4.104 1.00 5.56 C ATOM 683 O LEU A 43 -0.714 4.570 4.093 1.00 4.19 O ATOM 684 CB LEU A 43 -0.801 2.271 1.858 1.00 3.74 C ATOM 685 CG LEU A 43 -1.468 1.429 0.757 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.485 1.218 -0.441 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.029 0.062 1.152 1.00 6.41 C ATOM 0 H LEU A 43 -2.654 4.420 2.154 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.311 1.807 3.431 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.369 3.168 1.415 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.020 1.705 2.299 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.338 2.031 0.497 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.973 0.620 -1.211 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.205 2.186 -0.856 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.408 0.700 -0.092 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.468 -0.418 0.277 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.225 -0.562 1.543 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.794 0.190 1.918 1.00 6.41 H new ATOM 699 N ILE A 44 -0.678 2.591 5.112 1.00 4.58 N ATOM 700 CA ILE A 44 -0.010 3.055 6.300 1.00 5.55 C ATOM 701 C ILE A 44 1.254 2.175 6.464 1.00 5.46 C ATOM 702 O ILE A 44 1.172 0.915 6.400 1.00 6.04 O ATOM 703 CB ILE A 44 -0.896 3.035 7.574 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.344 3.555 7.411 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.165 3.907 8.672 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.077 3.329 8.710 1.00 13.90 C ATOM 0 H ILE A 44 -0.843 1.584 5.107 1.00 4.58 H new ATOM 0 HA ILE A 44 0.245 4.108 6.181 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.009 1.985 7.844 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.341 4.615 7.156 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.846 3.033 6.596 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.760 3.916 9.585 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.815 3.480 8.882 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.046 4.927 8.306 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.102 3.689 8.617 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.086 2.264 8.942 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.573 3.870 9.511 1.00 13.90 H new ATOM 718 N PHE A 45 2.345 2.880 6.778 1.00 6.75 N ATOM 719 CA PHE A 45 3.547 2.230 7.351 1.00 4.70 C ATOM 720 C PHE A 45 3.841 2.906 8.663 1.00 6.34 C ATOM 721 O PHE A 45 3.998 4.149 8.579 1.00 5.45 O ATOM 722 CB PHE A 45 4.746 2.259 6.415 1.00 5.51 C ATOM 723 CG PHE A 45 5.707 1.204 6.823 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.549 -0.209 6.553 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.887 1.562 7.455 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.481 -1.120 7.078 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.819 0.670 7.944 1.00 6.64 C ATOM 728 CZ PHE A 45 7.578 -0.737 7.812 1.00 6.84 C ATOM 0 H PHE A 45 2.430 3.888 6.651 1.00 6.75 H new ATOM 0 HA PHE A 45 3.346 1.170 7.503 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.424 2.097 5.386 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.225 3.237 6.448 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.722 -0.560 5.953 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.092 2.616 7.573 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.328 -2.173 6.896 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.720 1.028 8.421 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.231 -1.465 8.270 1.00 6.84 H new ATOM 738 N ALA A 46 3.860 2.133 9.798 1.00 6.53 N ATOM 739 CA ALA A 46 4.121 2.519 11.168 1.00 7.15 C ATOM 740 C ALA A 46 3.519 3.816 11.627 1.00 9.00 C ATOM 741 O ALA A 46 4.152 4.640 12.234 1.00 11.15 O ATOM 742 CB ALA A 46 5.602 2.460 11.336 1.00 8.99 C ATOM 0 H ALA A 46 3.671 1.133 9.735 1.00 6.53 H new ATOM 0 HA ALA A 46 3.606 1.822 11.829 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.864 2.742 12.356 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.950 1.446 11.139 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.075 3.148 10.636 1.00 8.99 H new ATOM 748 N GLY A 47 2.223 4.035 11.438 1.00 9.35 N ATOM 749 CA GLY A 47 1.624 5.298 11.917 1.00 11.68 C ATOM 750 C GLY A 47 1.815 6.475 11.025 1.00 11.14 C ATOM 751 O GLY A 47 1.505 7.659 11.316 1.00 13.93 O ATOM 0 H GLY A 47 1.580 3.391 10.977 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.555 5.142 12.060 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.045 5.532 12.895 1.00 11.68 H new ATOM 755 N LYS A 48 2.482 6.195 9.839 1.00 10.47 N ATOM 756 CA LYS A 48 2.549 7.179 8.759 1.00 8.82 C ATOM 757 C LYS A 48 1.755 6.803 7.553 1.00 7.68 C ATOM 758 O LYS A 48 2.042 5.746 6.992 1.00 6.47 O ATOM 759 CB LYS A 48 3.972 7.423 8.290 1.00 9.74 C ATOM 760 CG LYS A 48 4.221 8.739 7.650 1.00 14.14 C ATOM 761 CD LYS A 48 5.685 8.953 7.189 1.00 16.32 C ATOM 762 CE LYS A 48 6.683 9.199 8.301 1.00 20.04 C ATOM 763 NZ LYS A 48 7.993 9.530 7.699 1.00 23.92 N ATOM 0 H LYS A 48 2.957 5.314 9.642 1.00 10.47 H new ATOM 0 HA LYS A 48 2.126 8.079 9.205 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.639 7.324 9.146 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.242 6.639 7.583 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.562 8.842 6.788 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.954 9.529 8.352 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.003 8.076 6.625 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.713 9.800 6.504 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.344 10.015 8.939 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.770 8.315 8.933 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.688 9.701 8.453 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.313 8.737 7.107 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.900 10.384 7.113 1.00 23.92 H new ATOM 777 N GLN A 49 0.806 7.666 7.133 1.00 8.89 N ATOM 778 CA GLN A 49 -0.045 7.358 5.992 1.00 7.18 C ATOM 779 C GLN A 49 0.724 7.719 4.671 1.00 8.23 C ATOM 780 O GLN A 49 1.270 8.844 4.603 1.00 9.70 O ATOM 781 CB GLN A 49 -1.432 7.994 5.994 1.00 11.67 C ATOM 782 CG GLN A 49 -2.158 7.833 7.332 1.00 15.82 C ATOM 783 CD GLN A 49 -3.579 8.397 7.385 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.335 8.590 6.444 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.022 8.644 8.671 1.00 20.67 N ATOM 0 H GLN A 49 0.620 8.569 7.569 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.250 6.290 6.062 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.340 9.055 5.761 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.033 7.545 5.203 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.198 6.772 7.578 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.565 8.318 8.107 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.400 8.486 9.464 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.971 8.984 8.827 1.00 20.67 H new ATOM 794 N LEU A 50 0.794 6.846 3.692 1.00 6.51 N ATOM 795 CA LEU A 50 1.644 6.908 2.522 1.00 7.41 C ATOM 796 C LEU A 50 0.887 7.544 1.319 1.00 8.27 C ATOM 797 O LEU A 50 -0.076 7.010 0.833 1.00 8.34 O ATOM 798 CB LEU A 50 2.115 5.484 2.139 1.00 7.13 C ATOM 799 CG LEU A 50 2.645 4.675 3.260 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.995 3.323 2.655 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.796 5.370 4.061 1.00 9.11 C ATOM 0 H LEU A 50 0.213 6.008 3.692 1.00 6.51 H new ATOM 0 HA LEU A 50 2.507 7.530 2.760 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.278 4.950 1.690 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.887 5.567 1.374 1.00 7.13 H new ATOM 0 HG LEU A 50 1.901 4.550 4.047 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.395 2.670 3.431 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.099 2.873 2.228 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.742 3.457 1.873 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.129 4.713 4.864 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.631 5.577 3.392 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.431 6.305 4.485 1.00 9.11 H new ATOM 813 N GLU A 51 1.458 8.662 0.788 1.00 9.43 N ATOM 814 CA GLU A 51 0.860 9.370 -0.312 1.00 11.90 C ATOM 815 C GLU A 51 1.161 8.847 -1.692 1.00 11.49 C ATOM 816 O GLU A 51 2.302 8.485 -2.009 1.00 9.88 O ATOM 817 CB GLU A 51 1.149 10.858 -0.279 1.00 16.56 C ATOM 818 CG GLU A 51 0.564 11.539 1.002 1.00 26.06 C ATOM 819 CD GLU A 51 0.538 13.033 0.969 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.461 13.523 0.396 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.440 13.691 1.545 1.00 32.13 O ATOM 0 H GLU A 51 2.331 9.069 1.124 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.200 9.183 -0.141 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.226 11.019 -0.316 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.726 11.330 -1.166 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.452 11.177 1.156 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.150 11.220 1.864 1.00 26.06 H new ATOM 828 N ASP A 52 0.130 8.794 -2.582 1.00 12.71 N ATOM 829 CA ASP A 52 0.113 8.120 -3.773 1.00 16.56 C ATOM 830 C ASP A 52 1.354 8.276 -4.708 1.00 15.83 C ATOM 831 O ASP A 52 1.915 7.255 -5.156 1.00 17.21 O ATOM 832 CB ASP A 52 -1.138 8.474 -4.552 1.00 21.05 C ATOM 833 CG ASP A 52 -2.411 8.036 -3.809 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.923 8.767 -2.931 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.893 6.934 -4.117 1.00 28.37 O ATOM 0 H ASP A 52 -0.748 9.283 -2.407 1.00 12.71 H new ATOM 0 HA ASP A 52 0.136 7.074 -3.466 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.168 9.550 -4.723 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.105 7.996 -5.531 1.00 21.05 H new ATOM 840 N GLY A 53 1.812 9.496 -5.004 1.00 15.00 N ATOM 841 CA GLY A 53 2.947 9.731 -5.845 1.00 11.77 C ATOM 842 C GLY A 53 4.246 9.603 -5.176 1.00 11.10 C ATOM 843 O GLY A 53 5.296 9.974 -5.693 1.00 11.25 O ATOM 0 H GLY A 53 1.383 10.351 -4.650 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.914 9.031 -6.680 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.868 10.733 -6.266 1.00 11.77 H new ATOM 847 N ARG A 54 4.320 9.157 -3.879 1.00 8.53 N ATOM 848 CA ARG A 54 5.589 8.962 -3.248 1.00 9.05 C ATOM 849 C ARG A 54 6.167 7.654 -3.544 1.00 8.96 C ATOM 850 O ARG A 54 5.474 6.665 -3.689 1.00 11.60 O ATOM 851 CB ARG A 54 5.390 9.052 -1.706 1.00 7.97 C ATOM 852 CG ARG A 54 4.962 10.441 -1.202 1.00 9.62 C ATOM 853 CD ARG A 54 6.232 11.369 -1.108 1.00 12.20 C ATOM 854 NE ARG A 54 5.768 12.659 -0.485 1.00 18.23 N ATOM 855 CZ ARG A 54 6.560 13.597 0.104 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.871 13.524 0.122 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.956 14.685 0.651 1.00 23.38 N ATOM 0 H ARG A 54 3.512 8.941 -3.295 1.00 8.53 H new ATOM 0 HA ARG A 54 6.265 9.729 -3.626 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.638 8.322 -1.405 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.321 8.771 -1.214 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.227 10.877 -1.879 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.485 10.356 -0.226 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.010 10.903 -0.503 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.659 11.545 -2.095 1.00 12.20 H new ATOM 0 HE ARG A 54 4.766 12.848 -0.506 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.344 12.736 -0.320 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.416 14.256 0.578 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.941 14.778 0.612 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.518 15.408 1.101 1.00 23.38 H new ATOM 871 N THR A 55 7.543 7.470 -3.593 1.00 9.05 N ATOM 872 CA THR A 55 8.019 6.060 -3.580 1.00 9.03 C ATOM 873 C THR A 55 8.075 5.437 -2.236 1.00 8.15 C ATOM 874 O THR A 55 8.103 6.060 -1.178 1.00 5.91 O ATOM 875 CB THR A 55 9.347 5.863 -4.337 1.00 11.15 C ATOM 876 OG1 THR A 55 10.349 6.696 -3.722 1.00 11.95 O ATOM 877 CG2 THR A 55 9.249 6.306 -5.775 1.00 11.71 C ATOM 0 H THR A 55 8.255 8.199 -3.637 1.00 9.05 H new ATOM 0 HA THR A 55 7.242 5.525 -4.125 1.00 9.03 H new ATOM 0 HB THR A 55 9.592 4.802 -4.299 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.210 6.227 -3.723 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.207 6.149 -6.270 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.479 5.725 -6.283 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.990 7.364 -5.813 1.00 11.71 H new ATOM 885 N LEU A 56 8.166 4.076 -2.306 1.00 6.91 N ATOM 886 CA LEU A 56 8.601 3.253 -1.121 1.00 8.29 C ATOM 887 C LEU A 56 9.947 3.642 -0.556 1.00 8.05 C ATOM 888 O LEU A 56 10.147 3.817 0.654 1.00 10.17 O ATOM 889 CB LEU A 56 8.605 1.765 -1.546 1.00 6.60 C ATOM 890 CG LEU A 56 7.181 1.275 -1.846 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.069 0.190 -2.926 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.508 0.785 -0.553 1.00 8.64 C ATOM 0 H LEU A 56 7.952 3.532 -3.142 1.00 6.91 H new ATOM 0 HA LEU A 56 7.891 3.438 -0.315 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.231 1.637 -2.429 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.043 1.158 -0.754 1.00 6.60 H new ATOM 0 HG LEU A 56 6.668 2.145 -2.256 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.022 -0.084 -3.059 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.467 0.570 -3.867 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.638 -0.688 -2.620 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.499 0.440 -0.777 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.087 -0.036 -0.130 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.461 1.603 0.165 1.00 8.64 H new ATOM 904 N SER A 57 10.975 3.876 -1.449 1.00 8.92 N ATOM 905 CA SER A 57 12.216 4.533 -1.132 1.00 9.00 C ATOM 906 C SER A 57 12.165 5.829 -0.324 1.00 9.44 C ATOM 907 O SER A 57 12.920 6.012 0.649 1.00 10.91 O ATOM 908 CB SER A 57 13.149 4.713 -2.344 1.00 10.32 C ATOM 909 OG SER A 57 12.804 5.747 -3.287 1.00 13.59 O ATOM 0 H SER A 57 10.920 3.588 -2.426 1.00 8.92 H new ATOM 0 HA SER A 57 12.634 3.800 -0.442 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.153 4.915 -1.971 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.193 3.766 -2.881 1.00 10.32 H new ATOM 0 HG SER A 57 13.467 5.766 -4.008 1.00 13.59 H new ATOM 915 N ASP A 58 11.235 6.720 -0.668 1.00 9.11 N ATOM 916 CA ASP A 58 11.209 8.025 -0.020 1.00 7.91 C ATOM 917 C ASP A 58 10.452 8.076 1.394 1.00 9.12 C ATOM 918 O ASP A 58 10.576 9.033 2.179 1.00 8.61 O ATOM 919 CB ASP A 58 10.392 8.973 -0.953 1.00 8.41 C ATOM 920 CG ASP A 58 10.490 10.486 -0.707 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.640 11.004 -0.857 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.455 11.176 -0.439 1.00 11.70 O ATOM 0 H ASP A 58 10.511 6.567 -1.370 1.00 9.11 H new ATOM 0 HA ASP A 58 12.250 8.298 0.152 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.703 8.781 -1.980 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.342 8.690 -0.880 1.00 8.41 H new ATOM 927 N TYR A 59 9.714 6.960 1.696 1.00 7.97 N ATOM 928 CA TYR A 59 9.344 6.590 3.024 1.00 8.45 C ATOM 929 C TYR A 59 10.277 5.544 3.605 1.00 10.98 C ATOM 930 O TYR A 59 10.102 5.190 4.787 1.00 12.95 O ATOM 931 CB TYR A 59 7.980 5.891 3.025 1.00 7.94 C ATOM 932 CG TYR A 59 6.964 6.913 2.695 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.755 7.942 3.625 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.212 6.907 1.470 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.744 8.960 3.394 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.149 7.832 1.346 1.00 6.52 C ATOM 937 CZ TYR A 59 5.017 8.918 2.190 1.00 6.76 C ATOM 938 OH TYR A 59 4.002 9.804 2.107 1.00 7.63 O ATOM 0 H TYR A 59 9.375 6.311 0.985 1.00 7.97 H new ATOM 0 HA TYR A 59 9.361 7.518 3.596 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.962 5.081 2.295 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.776 5.447 3.999 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.353 7.978 4.524 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.450 6.220 0.672 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.555 9.729 4.128 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.417 7.685 0.566 1.00 6.52 H new ATOM 0 HH TYR A 59 4.365 10.711 2.031 1.00 7.63 H new ATOM 948 N ASN A 60 11.330 5.179 2.896 1.00 12.38 N ATOM 949 CA ASN A 60 12.280 4.132 3.301 1.00 13.94 C ATOM 950 C ASN A 60 11.601 2.738 3.616 1.00 14.16 C ATOM 951 O ASN A 60 11.923 2.153 4.633 1.00 14.26 O ATOM 952 CB ASN A 60 13.199 4.573 4.467 1.00 19.23 C ATOM 953 CG ASN A 60 14.080 5.681 3.939 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.136 5.384 3.384 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.663 6.922 4.235 1.00 24.09 N ATOM 0 H ASN A 60 11.563 5.606 2.000 1.00 12.38 H new ATOM 0 HA ASN A 60 12.906 3.982 2.422 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.608 4.921 5.314 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.802 3.736 4.821 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.244 7.726 3.996 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.765 7.061 4.699 1.00 24.09 H new ATOM 962 N ILE A 61 10.749 2.232 2.731 1.00 11.08 N ATOM 963 CA ILE A 61 10.011 0.952 2.932 1.00 11.78 C ATOM 964 C ILE A 61 10.788 -0.060 2.183 1.00 13.74 C ATOM 965 O ILE A 61 10.774 -0.118 0.959 1.00 14.60 O ATOM 966 CB ILE A 61 8.586 1.102 2.472 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.844 2.064 3.465 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.894 -0.285 2.555 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.516 2.560 2.858 1.00 11.42 C ATOM 0 H ILE A 61 10.537 2.687 1.843 1.00 11.08 H new ATOM 0 HA ILE A 61 9.930 0.650 3.976 1.00 11.78 H new ATOM 0 HB ILE A 61 8.557 1.492 1.455 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.649 1.545 4.403 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.483 2.916 3.699 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.859 -0.196 2.225 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.419 -0.993 1.914 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.917 -0.642 3.585 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.019 3.225 3.564 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.718 3.099 1.932 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.871 1.707 2.648 1.00 11.42 H new ATOM 981 N GLN A 62 11.612 -0.817 2.935 1.00 13.97 N ATOM 982 CA GLN A 62 12.563 -1.753 2.379 1.00 15.52 C ATOM 983 C GLN A 62 11.951 -3.120 2.176 1.00 13.94 C ATOM 984 O GLN A 62 10.759 -3.360 2.461 1.00 12.15 O ATOM 985 CB GLN A 62 13.816 -1.861 3.211 1.00 19.53 C ATOM 986 CG GLN A 62 14.474 -0.451 3.400 1.00 26.38 C ATOM 987 CD GLN A 62 15.742 -0.531 4.215 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.157 -1.653 4.503 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.343 0.610 4.699 1.00 32.71 N ATOM 0 H GLN A 62 11.623 -0.783 3.954 1.00 13.97 H new ATOM 0 HA GLN A 62 12.845 -1.354 1.405 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.577 -2.291 4.184 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.522 -2.537 2.729 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.695 -0.019 2.424 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.767 0.217 3.891 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.977 1.527 4.443 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.154 0.538 5.313 1.00 32.71 H new ATOM 998 N LYS A 63 12.646 -4.125 1.645 1.00 11.73 N ATOM 999 CA LYS A 63 12.235 -5.490 1.657 1.00 11.97 C ATOM 1000 C LYS A 63 11.703 -6.006 3.009 1.00 10.41 C ATOM 1001 O LYS A 63 12.170 -5.619 4.060 1.00 9.59 O ATOM 1002 CB LYS A 63 13.473 -6.346 1.248 1.00 13.73 C ATOM 1003 CG LYS A 63 14.657 -6.344 2.262 1.00 16.98 C ATOM 1004 CD LYS A 63 15.913 -7.054 1.703 1.00 20.19 C ATOM 1005 CE LYS A 63 17.120 -6.892 2.677 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.871 -7.373 4.059 1.00 25.97 N ATOM 0 H LYS A 63 13.543 -3.984 1.181 1.00 11.73 H new ATOM 0 HA LYS A 63 11.396 -5.574 0.967 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.147 -7.375 1.099 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.840 -5.986 0.287 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.909 -5.315 2.520 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.344 -6.836 3.183 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.701 -8.113 1.552 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.168 -6.638 0.728 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.974 -7.431 2.268 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.397 -5.839 2.718 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.724 -7.227 4.636 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.078 -6.843 4.473 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.637 -8.386 4.037 1.00 25.97 H new ATOM 1020 N GLU A 64 10.629 -6.845 3.000 1.00 10.04 N ATOM 1021 CA GLU A 64 10.040 -7.541 4.150 1.00 10.94 C ATOM 1022 C GLU A 64 9.167 -6.674 5.045 1.00 9.74 C ATOM 1023 O GLU A 64 8.761 -7.096 6.127 1.00 9.42 O ATOM 1024 CB GLU A 64 11.106 -8.397 5.024 1.00 18.31 C ATOM 1025 CG GLU A 64 11.841 -9.382 4.096 1.00 24.16 C ATOM 1026 CD GLU A 64 12.543 -10.526 4.865 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.533 -10.278 5.645 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.104 -11.735 4.764 1.00 32.61 O ATOM 0 H GLU A 64 10.133 -7.057 2.134 1.00 10.04 H new ATOM 0 HA GLU A 64 9.369 -8.256 3.675 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.820 -7.729 5.505 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.592 -8.940 5.818 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.128 -9.809 3.391 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.581 -8.837 3.510 1.00 24.16 H new ATOM 1035 N SER A 65 8.809 -5.431 4.621 1.00 6.85 N ATOM 1036 CA SER A 65 7.952 -4.435 5.265 1.00 6.90 C ATOM 1037 C SER A 65 6.540 -4.923 5.391 1.00 4.72 C ATOM 1038 O SER A 65 6.024 -5.442 4.418 1.00 3.91 O ATOM 1039 CB SER A 65 7.877 -3.160 4.427 1.00 7.28 C ATOM 1040 OG SER A 65 9.155 -2.451 4.443 1.00 10.56 O ATOM 0 H SER A 65 9.156 -5.081 3.728 1.00 6.85 H new ATOM 0 HA SER A 65 8.391 -4.249 6.245 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.608 -3.410 3.401 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.091 -2.511 4.814 1.00 7.28 H new ATOM 0 HG SER A 65 9.720 -2.779 3.713 1.00 10.56 H new ATOM 1046 N THR A 66 5.949 -4.741 6.540 1.00 4.48 N ATOM 1047 CA THR A 66 4.572 -5.007 6.861 1.00 3.80 C ATOM 1048 C THR A 66 3.867 -3.727 6.836 1.00 4.60 C ATOM 1049 O THR A 66 3.896 -2.931 7.795 1.00 5.33 O ATOM 1050 CB THR A 66 4.237 -5.709 8.175 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.656 -7.072 8.161 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.756 -5.775 8.401 1.00 3.40 C ATOM 0 H THR A 66 6.460 -4.372 7.342 1.00 4.48 H new ATOM 0 HA THR A 66 4.263 -5.734 6.110 1.00 3.80 H new ATOM 0 HB THR A 66 4.745 -5.130 8.946 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.429 -7.493 9.016 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.554 -6.281 9.345 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.348 -4.765 8.436 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.288 -6.327 7.586 1.00 3.40 H new ATOM 1060 N LEU A 67 3.041 -3.517 5.793 1.00 4.17 N ATOM 1061 CA LEU A 67 2.200 -2.351 5.519 1.00 3.85 C ATOM 1062 C LEU A 67 0.757 -2.573 5.903 1.00 3.80 C ATOM 1063 O LEU A 67 0.306 -3.705 5.941 1.00 5.54 O ATOM 1064 CB LEU A 67 2.170 -2.009 3.994 1.00 7.18 C ATOM 1065 CG LEU A 67 3.347 -1.198 3.377 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.427 -2.171 3.241 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.099 -0.591 1.997 1.00 11.66 C ATOM 0 H LEU A 67 2.942 -4.222 5.063 1.00 4.17 H new ATOM 0 HA LEU A 67 2.643 -1.549 6.110 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.097 -2.949 3.448 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.252 -1.455 3.799 1.00 7.18 H new ATOM 0 HG LEU A 67 3.540 -0.344 4.026 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.303 -1.685 2.811 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.680 -2.573 4.222 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.106 -2.982 2.588 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.988 -0.051 1.672 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.876 -1.385 1.285 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.255 0.097 2.048 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.030 -1.562 6.141 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.408 -1.603 6.656 1.00 4.17 C ATOM 1081 C HIS A 68 -2.402 -0.970 5.715 1.00 5.32 C ATOM 1082 O HIS A 68 -2.327 0.197 5.285 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.511 -0.997 8.039 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.322 -2.011 9.140 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.215 -2.934 9.630 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.134 -2.368 9.615 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.534 -3.741 10.443 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.240 -3.471 10.463 1.00 16.30 N ATOM 0 H HIS A 68 0.281 -0.605 5.974 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.668 -2.659 6.731 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.762 -0.212 8.143 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.487 -0.524 8.151 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.794 -1.869 9.376 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.990 -4.530 11.023 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.500 -3.952 10.974 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.442 -1.728 5.304 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.369 -1.240 4.249 1.00 3.97 C ATOM 1098 C LEU A 69 -5.654 -0.797 4.915 1.00 5.07 C ATOM 1099 O LEU A 69 -6.256 -1.499 5.781 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.651 -2.425 3.299 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.847 -2.239 2.372 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.695 -1.003 1.435 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.165 -3.484 1.485 1.00 9.96 C ATOM 0 H LEU A 69 -3.661 -2.654 5.671 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.944 -0.405 3.693 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.764 -2.603 2.691 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.811 -3.321 3.898 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.678 -2.084 3.060 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.575 -0.919 0.797 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.596 -0.100 2.037 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.807 -1.124 0.814 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.028 -3.271 0.855 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.304 -3.712 0.856 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.385 -4.339 2.124 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.087 0.378 4.578 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.126 1.097 5.220 1.00 6.26 C ATOM 1117 C VAL A 70 -8.030 1.744 4.098 1.00 9.22 C ATOM 1118 O VAL A 70 -7.611 1.846 2.927 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.719 2.166 6.140 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.154 1.575 7.466 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.686 3.084 5.526 1.00 8.54 C ATOM 0 H VAL A 70 -5.690 0.890 3.790 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.636 0.363 5.844 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.615 2.750 6.352 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.860 2.388 8.130 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.920 0.970 7.950 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.286 0.953 7.247 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.416 3.859 6.243 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.799 2.508 5.262 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.098 3.547 4.630 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.274 2.168 4.533 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.232 2.780 3.666 1.00 16.06 C ATOM 1133 C LEU A 71 -9.784 4.128 3.291 1.00 18.09 C ATOM 1134 O LEU A 71 -9.268 4.946 4.117 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.703 2.910 4.231 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.398 1.564 4.467 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.820 1.647 5.037 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.534 0.750 3.220 1.00 19.57 C ATOM 0 H LEU A 71 -9.592 2.074 5.498 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.285 2.096 2.819 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.674 3.462 5.170 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.299 3.498 3.534 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.730 1.105 5.196 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.220 0.641 5.166 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.796 2.154 6.002 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.456 2.205 4.349 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.033 -0.191 3.452 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.123 1.302 2.487 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.545 0.544 2.810 1.00 19.57 H new